smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nc(-c2ccccc2)nc1[C@H]1CC[N@H+](CCOC)C1 ZINC000824412401 783594578 /nfs/dbraw/zinc/59/45/78/783594578.db2.gz NSJBRWHWMWMDRI-HNNXBMFYSA-N 1 0 300.406 2.401 50 0 DEAARO COc1ccc(CNC(=O)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000824670852 783600424 /nfs/dbraw/zinc/60/04/24/783600424.db2.gz FMQPCUSVWVTMAX-UHFFFAOYSA-N 1 0 317.433 2.465 50 0 DEAARO NC(=O)[C@@H]1CC=CC[C@H]1[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000826846911 783661741 /nfs/dbraw/zinc/66/17/41/783661741.db2.gz JDSHZPYXYLKCMZ-GDBMZVCRSA-N 1 0 317.408 2.204 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)NCCCSCc2ccc(F)cc2)C1 ZINC000826951616 783665481 /nfs/dbraw/zinc/66/54/81/783665481.db2.gz JBMNSZODBLUOEB-CQSZACIVSA-N 1 0 311.426 2.192 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)NCCCSCc2ccc(F)cc2)C1 ZINC000826951614 783665698 /nfs/dbraw/zinc/66/56/98/783665698.db2.gz JBMNSZODBLUOEB-AWEZNQCLSA-N 1 0 311.426 2.192 50 0 DEAARO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)[C@H](N(C)C)C2)s1 ZINC000575542716 784252657 /nfs/dbraw/zinc/25/26/57/784252657.db2.gz WHSRGWMJYMCJCT-LSDHHAIUSA-N 1 0 319.478 2.403 50 0 DEAARO O=C(c1ccccc1)N1CC([N@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794413 784783777 /nfs/dbraw/zinc/78/37/77/784783777.db2.gz CZOMGIMPOXJIRR-UHFFFAOYSA-N 1 0 314.429 2.402 50 0 DEAARO CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](C1CCCC1)CC3 ZINC000581803243 784784615 /nfs/dbraw/zinc/78/46/15/784784615.db2.gz HSCQPAJOHCXDDM-CQSZACIVSA-N 1 0 305.422 2.068 50 0 DEAARO Cc1c[nH+]c(C2CCOCC2)n1C1CCN(C(=O)N(C)C)CC1 ZINC000581808914 784786268 /nfs/dbraw/zinc/78/62/68/784786268.db2.gz ZGHKHINNVHFHAA-UHFFFAOYSA-N 1 0 320.437 2.404 50 0 DEAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2cn[nH]c2)C1 ZINC000584907052 789633887 /nfs/dbraw/zinc/63/38/87/789633887.db2.gz BKMRZPUUSRPRMH-ZBFHGGJFSA-N 1 0 306.454 2.359 50 0 DEAARO O=C(C(F)F)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000585089499 789691350 /nfs/dbraw/zinc/69/13/50/789691350.db2.gz RYAVBNNTIIKOCE-HNNXBMFYSA-N 1 0 323.387 2.065 50 0 DEAARO CC(C)[N@H+](C)Cc1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000585090518 789694847 /nfs/dbraw/zinc/69/48/47/789694847.db2.gz BQEVRHWLPZWOPC-SFHVURJKSA-N 1 0 317.433 2.382 50 0 DEAARO CCOc1ccc2nc(C[N@H+](C)[C@@H](C)CC(N)=O)ccc2c1 ZINC000952872129 792788916 /nfs/dbraw/zinc/78/89/16/792788916.db2.gz KKUWSPBRMASORS-LBPRGKRZSA-N 1 0 301.390 2.329 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCN1C)[C@@H]1C[C@H]1c1cccs1 ZINC000952963214 792810018 /nfs/dbraw/zinc/81/00/18/792810018.db2.gz DVWHMOUZHWLUOE-CWVYHPPDSA-N 1 0 307.507 2.464 50 0 DEAARO CCS(=O)(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000952978512 792844140 /nfs/dbraw/zinc/84/41/40/792844140.db2.gz RCLUMENRWOGDCC-UHFFFAOYSA-N 1 0 302.484 2.457 50 0 DEAARO Cc1ccccc1OCC(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939087 799506556 /nfs/dbraw/zinc/50/65/56/799506556.db2.gz KDNXXQRYUCEXAW-UHFFFAOYSA-N 1 0 302.418 2.461 50 0 DEAARO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000405218752 802044317 /nfs/dbraw/zinc/04/43/17/802044317.db2.gz LNSXFBSFLRMHGC-ZIAGYGMSSA-N 1 0 320.437 2.309 50 0 DEAARO O=C1CCCN1CC[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC001529101568 1070857095 /nfs/dbraw/zinc/85/70/95/1070857095.db2.gz HVSQBVWOOPTNER-INIZCTEOSA-N 1 0 308.447 2.116 50 0 DEAARO Cc1cc(F)ccc1C(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001529102043 1070857739 /nfs/dbraw/zinc/85/77/39/1070857739.db2.gz USVHOCCKDQROKX-UHFFFAOYSA-N 1 0 308.382 2.342 50 0 DEAARO CCc1cc(N[C@H](CO)CCSC)nc(N2CCCC2)[nH+]1 ZINC001529106213 1070858806 /nfs/dbraw/zinc/85/88/06/1070858806.db2.gz MGJUYFLKVFXDBW-ZDUSSCGKSA-N 1 0 310.467 2.165 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)C[C@H]2O)on1 ZINC001529153430 1070885373 /nfs/dbraw/zinc/88/53/73/1070885373.db2.gz BFFSSGPROIHWES-NVXWUHKLSA-N 1 0 311.385 2.500 50 0 DEAARO Cc1cc(N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)cc[nH+]1 ZINC001529167875 1070898641 /nfs/dbraw/zinc/89/86/41/1070898641.db2.gz QEEZAIXHUVBRRA-RBUKOAKNSA-N 1 0 312.413 2.182 50 0 DEAARO CCc1nc(C)c(C[N@@H+]2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)[nH]1 ZINC001529182569 1070906765 /nfs/dbraw/zinc/90/67/65/1070906765.db2.gz UUCBTLDRWCVGSJ-CJNGLKHVSA-N 1 0 318.421 2.266 50 0 DEAARO C[N@@H+]1CCCN(CC(=O)Nc2nc3c(cccc3F)s2)CC1 ZINC001506400898 1061939670 /nfs/dbraw/zinc/93/96/70/1061939670.db2.gz LLPQJUGQYOZOHG-UHFFFAOYSA-N 1 0 322.409 2.011 50 0 DEAARO CCc1nccn1C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC001506402470 1061944231 /nfs/dbraw/zinc/94/42/31/1061944231.db2.gz YNRCLASPPKXXPQ-CQSZACIVSA-N 1 0 306.454 2.071 50 0 DEAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCn3cccc3C2)CC1 ZINC001506404888 1061946082 /nfs/dbraw/zinc/94/60/82/1061946082.db2.gz JOHZWBLWAPFMDN-UHFFFAOYSA-N 1 0 310.401 2.004 50 0 DEAARO O=C1C[C@@H](C[NH2+]C2CSCCSC2)CN1c1ccccc1 ZINC001506410872 1061953011 /nfs/dbraw/zinc/95/30/11/1061953011.db2.gz GIGZSJVUBNFPEN-ZDUSSCGKSA-N 1 0 322.499 2.478 50 0 DEAARO C[C@@H](CN(C)CCO)[NH2+]CCc1c(Cl)cccc1Cl ZINC001506414920 1061957085 /nfs/dbraw/zinc/95/70/85/1061957085.db2.gz UQMAGAGSGYPMOL-NSHDSACASA-N 1 0 305.249 2.438 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H]([NH3+])c2ccccc2)C1 ZINC000958527768 1089046829 /nfs/dbraw/zinc/04/68/29/1089046829.db2.gz HTDVCBYFLZUYOG-WMLDXEAASA-N 1 0 306.406 2.448 50 0 DEAARO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000081818488 192328171 /nfs/dbraw/zinc/32/81/71/192328171.db2.gz CGOFNMXLHUOTKZ-RDJZCZTQSA-N 1 0 308.422 2.095 50 0 DEAARO C[NH+](C)C1(CNC(=O)Cc2nc3ccccc3[nH]2)CCCC1 ZINC000426685293 230811636 /nfs/dbraw/zinc/81/16/36/230811636.db2.gz LPWZRVICFLCMSD-UHFFFAOYSA-N 1 0 300.406 2.096 50 0 DEAARO CCn1ccnc1CN1CC[N@H+](CCc2ccccn2)C[C@H]1C ZINC000252474429 529568605 /nfs/dbraw/zinc/56/86/05/529568605.db2.gz DIBAMQOYSQNGMH-MRXNPFEDSA-N 1 0 313.449 2.047 50 0 DEAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000088676991 185262048 /nfs/dbraw/zinc/26/20/48/185262048.db2.gz GAZOWKBLCQQIGJ-ZBFHGGJFSA-N 1 0 303.450 2.011 50 0 DEAARO COCC(=O)Nc1ccc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000088685791 185262479 /nfs/dbraw/zinc/26/24/79/185262479.db2.gz ZRVSPOYJQBPKLQ-CJNGLKHVSA-N 1 0 305.422 2.412 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000089949033 185271270 /nfs/dbraw/zinc/27/12/70/185271270.db2.gz SWRQRLPZLOMWSV-ZBFHGGJFSA-N 1 0 318.417 2.194 50 0 DEAARO Cc1cn2cc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)ccc2n1 ZINC000082108040 192356595 /nfs/dbraw/zinc/35/65/95/192356595.db2.gz PMHLDNQSVCIMJR-UHFFFAOYSA-N 1 0 321.384 2.000 50 0 DEAARO Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CCO)c2ccccc2)cc1 ZINC000006936168 190626582 /nfs/dbraw/zinc/62/65/82/190626582.db2.gz AFNARYZLVYNTOL-RBUKOAKNSA-N 1 0 315.413 2.044 50 0 DEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)CN1CCCO ZINC000082134051 192360391 /nfs/dbraw/zinc/36/03/91/192360391.db2.gz FXPJWLUBPGIUDA-QGZVFWFLSA-N 1 0 322.474 2.335 50 0 DEAARO CCn1nc(C)c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000095398698 185353615 /nfs/dbraw/zinc/35/36/15/185353615.db2.gz ZPXHFFGGJDMEBO-HNNXBMFYSA-N 1 0 323.437 2.033 50 0 DEAARO CC(C)[NH+]1CCC(CN2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000082139475 192362285 /nfs/dbraw/zinc/36/22/85/192362285.db2.gz GQVGWUORXRMWLE-UHFFFAOYSA-N 1 0 315.461 2.456 50 0 DEAARO C[NH+](C)C1CN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 ZINC000095450188 185368818 /nfs/dbraw/zinc/36/88/18/185368818.db2.gz QNVUUAOGPRPIBF-UHFFFAOYSA-N 1 0 323.322 2.308 50 0 DEAARO CC(C)Sc1ccccc1C(=O)NCCOCC[NH+](C)C ZINC000095465567 185371896 /nfs/dbraw/zinc/37/18/96/185371896.db2.gz KIMMIMOQVQQBIX-UHFFFAOYSA-N 1 0 310.463 2.495 50 0 DEAARO c1ccc2c(c1)C=C(C[NH2+][C@H]1CCO[C@]3(CCOC3)C1)CO2 ZINC000095457752 185370444 /nfs/dbraw/zinc/37/04/44/185370444.db2.gz FBOHUFGLSNFYDY-FUHWJXTLSA-N 1 0 301.386 2.390 50 0 DEAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000097033483 185399666 /nfs/dbraw/zinc/39/96/66/185399666.db2.gz BTOSGTHRGTUQQD-USXIJHARSA-N 1 0 304.434 2.151 50 0 DEAARO C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccc(F)c(Cl)c1 ZINC000097033154 185399736 /nfs/dbraw/zinc/39/97/36/185399736.db2.gz ROWYNSYIPVBMOC-QMMMGPOBSA-N 1 0 313.760 2.118 50 0 DEAARO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000097033439 185399784 /nfs/dbraw/zinc/39/97/84/185399784.db2.gz GMPAUUZTFBWKCY-JSGCOSHPSA-N 1 0 317.838 2.274 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccnc3)C2)c1 ZINC000083920106 539391388 /nfs/dbraw/zinc/39/13/88/539391388.db2.gz DGVJYKAXBDVHAN-HNNXBMFYSA-N 1 0 313.401 2.467 50 0 DEAARO C[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241774145 530022599 /nfs/dbraw/zinc/02/25/99/530022599.db2.gz RNKQLENKNODXPN-APHBMKBZSA-N 1 0 312.417 2.457 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnns2)[C@H]1c1cccs1 ZINC000247203578 530055104 /nfs/dbraw/zinc/05/51/04/530055104.db2.gz BXXAXXMMXFJJJC-GWCFXTLKSA-N 1 0 322.459 2.413 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1[NH+](C)C ZINC000107323106 185476302 /nfs/dbraw/zinc/47/63/02/185476302.db2.gz FQXBPCJXDRBUJY-RIEGTJTDSA-N 1 0 308.809 2.052 50 0 DEAARO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC(=O)N2CCCCCC2)[nH]n1 ZINC000090528141 539417329 /nfs/dbraw/zinc/41/73/29/539417329.db2.gz ZRWOQHGIVKWCFI-KBPBESRZSA-N 1 0 306.454 2.420 50 0 DEAARO Fc1ccc2c(CC[NH2+]C[C@@H]3CNc4ccnn4C3)c[nH]c2c1 ZINC000058341314 190691948 /nfs/dbraw/zinc/69/19/48/190691948.db2.gz ARKQGEXAHPXIKY-GFCCVEGCSA-N 1 0 313.380 2.378 50 0 DEAARO CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000096419267 539434013 /nfs/dbraw/zinc/43/40/13/539434013.db2.gz WLMXEIHFSLRBKP-QWHCGFSZSA-N 1 0 308.447 2.386 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)/C=C\c2c(F)cccc2F)C1 ZINC000103922197 539437669 /nfs/dbraw/zinc/43/76/69/539437669.db2.gz QNTNNMUHORFBAP-CFHLNLSMSA-N 1 0 324.371 2.063 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C1 ZINC000255226596 282624352 /nfs/dbraw/zinc/62/43/52/282624352.db2.gz UIOGLVYFVYQJTK-HWYHOQROSA-N 1 0 310.401 2.096 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000071142772 190935963 /nfs/dbraw/zinc/93/59/63/190935963.db2.gz MEHWTLFHOBYGBL-GFCCVEGCSA-N 1 0 311.223 2.060 50 0 DEAARO COc1cccc(C2=CC[N@H+](CCN3CCOC3=O)CC2)c1 ZINC000083970565 192393461 /nfs/dbraw/zinc/39/34/61/192393461.db2.gz CWSNWFWVHLUKKI-UHFFFAOYSA-N 1 0 302.374 2.237 50 0 DEAARO C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000225357438 539729842 /nfs/dbraw/zinc/72/98/42/539729842.db2.gz OFCDZPUMDSUEHF-QTVXIADOSA-N 1 0 308.422 2.469 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC[N@@H+]1CC1CC1 ZINC000071747485 191020942 /nfs/dbraw/zinc/02/09/42/191020942.db2.gz UQSGSYFCYFFAIV-MRXNPFEDSA-N 1 0 304.438 2.003 50 0 DEAARO Cc1cc(C2CCC2)nc(NCC[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000071751150 191022382 /nfs/dbraw/zinc/02/23/82/191022382.db2.gz KFCNMYPERLRFNW-CQSZACIVSA-N 1 0 304.438 2.169 50 0 DEAARO CC(=O)NCCn1ccnc1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000071755103 191024759 /nfs/dbraw/zinc/02/47/59/191024759.db2.gz LZJHEYSXXQSMDG-CYBMUJFWSA-N 1 0 300.406 2.309 50 0 DEAARO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)ccc1N1CCCC1=O ZINC000072117627 191039139 /nfs/dbraw/zinc/03/91/39/191039139.db2.gz KLGJSSRMYXYIAC-CQSZACIVSA-N 1 0 315.417 2.402 50 0 DEAARO CC1=C(CC[N@@H+]2CCN[C@@H](C(=O)NC3CC3)C2)C(C)(C)CCC1 ZINC000072127352 191043211 /nfs/dbraw/zinc/04/32/11/191043211.db2.gz PFBOQSBGNNBCPA-QGZVFWFLSA-N 1 0 319.493 2.456 50 0 DEAARO CCCn1cc(CNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cn1 ZINC000072128936 191043405 /nfs/dbraw/zinc/04/34/05/191043405.db2.gz IMSGJFDPPDHVLO-OAHLLOKOSA-N 1 0 312.417 2.300 50 0 DEAARO CN(Cc1cc(-c2ccccc2)on1)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072168183 191066352 /nfs/dbraw/zinc/06/63/52/191066352.db2.gz KTTAOERLXDDXIR-UHFFFAOYSA-N 1 0 323.400 2.273 50 0 DEAARO OCC[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000143145331 186033623 /nfs/dbraw/zinc/03/36/23/186033623.db2.gz SXSMGDYLYXCGAL-AWEZNQCLSA-N 1 0 303.324 2.443 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000150746718 186062778 /nfs/dbraw/zinc/06/27/78/186062778.db2.gz CNJZKKDOLYDWOW-OCCSQVGLSA-N 1 0 306.406 2.098 50 0 DEAARO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1COc2ccccc21 ZINC000172013748 198025423 /nfs/dbraw/zinc/02/54/23/198025423.db2.gz YEKDUUPUOCSGAN-INIZCTEOSA-N 1 0 300.402 2.153 50 0 DEAARO CCOc1cc2c(cc1CN1CC[C@@](O)(C[NH+](C)C)C1)CCC2 ZINC000072409208 191153284 /nfs/dbraw/zinc/15/32/84/191153284.db2.gz HZVBSIAFIYHVGQ-LJQANCHMSA-N 1 0 318.461 2.072 50 0 DEAARO CCN1CC2(CC[NH+](Cc3cccc4nonc43)CC2)OC1=O ZINC000072410818 191154316 /nfs/dbraw/zinc/15/43/16/191154316.db2.gz TZMVCHOWJLDYQD-UHFFFAOYSA-N 1 0 316.361 2.030 50 0 DEAARO CC(C)(O)CCc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000072423244 191158729 /nfs/dbraw/zinc/15/87/29/191158729.db2.gz JZTVXXFVFQGMDC-KRWDZBQOSA-N 1 0 316.445 2.214 50 0 DEAARO Cc1nn(C)c2nc(C)nc(NCC[N@H+]3CCC[C@@H](C)C3)c12 ZINC000072426152 191159484 /nfs/dbraw/zinc/15/94/84/191159484.db2.gz JJMSOOBUSXGFGC-LLVKDONJSA-N 1 0 302.426 2.124 50 0 DEAARO Cc1ccccc1OC[C@@H](C)Nc1ncnc2c1CC[NH2+]CC2 ZINC000072428799 191161096 /nfs/dbraw/zinc/16/10/96/191161096.db2.gz OPMXNOBUKABGGN-CQSZACIVSA-N 1 0 312.417 2.353 50 0 DEAARO CCCc1cnc(C)nc1N1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000072436183 191166105 /nfs/dbraw/zinc/16/61/05/191166105.db2.gz AQEHGAHGZDGXTC-QGZVFWFLSA-N 1 0 320.481 2.267 50 0 DEAARO COc1ccc(/C=C/C[N@@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072480361 191181677 /nfs/dbraw/zinc/18/16/77/191181677.db2.gz YJFBHEPHEPYPDM-IDOMTICXSA-N 1 0 302.374 2.235 50 0 DEAARO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)o1 ZINC000299754309 539859882 /nfs/dbraw/zinc/85/98/82/539859882.db2.gz FITNJPKFGSNOPV-HUUCEWRRSA-N 1 0 307.438 2.483 50 0 DEAARO CC[C@H]1CN(C(=O)c2cccc(CCC(C)(C)O)c2)CC[NH2+]1 ZINC000072475886 191177154 /nfs/dbraw/zinc/17/71/54/191177154.db2.gz QOOIQVPWNCDJFR-INIZCTEOSA-N 1 0 304.434 2.214 50 0 DEAARO Cc1ccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c(F)c1 ZINC000072475658 191177214 /nfs/dbraw/zinc/17/72/14/191177214.db2.gz CAJHQCCRSVXBLD-UHFFFAOYSA-N 1 0 313.376 2.413 50 0 DEAARO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000072636317 191206342 /nfs/dbraw/zinc/20/63/42/191206342.db2.gz 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2.126 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn[nH]2)[C@H]1c1cccs1 ZINC000110619611 355743143 /nfs/dbraw/zinc/74/31/43/355743143.db2.gz USPNYDKQFHOGAP-RISCZKNCSA-N 1 0 304.419 2.284 50 0 DEAARO CCO[C@H](C)c1nc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cs1 ZINC000107142034 355727701 /nfs/dbraw/zinc/72/77/01/355727701.db2.gz PBESCJYWNLSOID-WZRBSPASSA-N 1 0 311.451 2.263 50 0 DEAARO Cc1nc(CN(C)[C@@H]2CC[N@@H+]([C@H](C)c3cccnc3)C2)no1 ZINC000108087051 355731373 /nfs/dbraw/zinc/73/13/73/355731373.db2.gz XMEVWTMKYQGCME-IUODEOHRSA-N 1 0 301.394 2.040 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 ZINC000163184908 355972136 /nfs/dbraw/zinc/97/21/36/355972136.db2.gz WLADRWAPNWETHK-KCJUWKMLSA-N 1 0 320.286 2.033 50 0 DEAARO CN(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CC[NH2+]C1 ZINC000179084483 356014324 /nfs/dbraw/zinc/01/43/24/356014324.db2.gz WPWKXHFBYJFRFV-AWEZNQCLSA-N 1 0 312.373 2.048 50 0 DEAARO OCC1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)COC1 ZINC000181542255 356084706 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CCOc1ccc(NC(=S)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000005737060 181278482 /nfs/dbraw/zinc/27/84/82/181278482.db2.gz NSSPWOWNPJXOGY-HNNXBMFYSA-N 1 0 305.447 2.466 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2cc(Cl)ccc2OC)C1 ZINC000237179552 202179117 /nfs/dbraw/zinc/17/91/17/202179117.db2.gz HMEJDGMWANPESS-LBPRGKRZSA-N 1 0 310.825 2.349 50 0 DEAARO Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)C2 ZINC000237229086 202197432 /nfs/dbraw/zinc/19/74/32/202197432.db2.gz SHKRQOCRVHKXOZ-VMBOVVBDSA-N 1 0 302.418 2.335 50 0 DEAARO CCO[C@H]1C[N@H+](CC)C[C@@H]1n1cnc2c(Cl)cccc2c1=O ZINC000584887588 357326303 /nfs/dbraw/zinc/32/63/03/357326303.db2.gz TWXWFQSNGWKRLS-KBPBESRZSA-N 1 0 321.808 2.332 50 0 DEAARO COc1cc(C(=O)N2CC[NH+](CC3CCCC3)CC2)ccn1 ZINC000584891492 357326764 /nfs/dbraw/zinc/32/67/64/357326764.db2.gz CTLJXFBQIBVWGM-UHFFFAOYSA-N 1 0 303.406 2.038 50 0 DEAARO CC[C@H](Cn1ccnc1)NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000584895684 357328633 /nfs/dbraw/zinc/32/86/33/357328633.db2.gz FWPHHHNWPIBNLS-OAHLLOKOSA-N 1 0 304.438 2.187 50 0 DEAARO CCn1ccnc1CN(C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584894347 357329074 /nfs/dbraw/zinc/32/90/74/357329074.db2.gz SJVVLLACDIJWSJ-CQSZACIVSA-N 1 0 321.469 2.165 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(-c3ccc4c(c3)NC(=O)C4)c2)C1 ZINC000584895762 357329141 /nfs/dbraw/zinc/32/91/41/357329141.db2.gz IDZWOFWMIVFWJE-MRXNPFEDSA-N 1 0 321.380 2.021 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH]c(C)nc3c2)C1 ZINC000584897610 357329707 /nfs/dbraw/zinc/32/97/07/357329707.db2.gz WHNLABOVZZDUTQ-ZDUSSCGKSA-N 1 0 302.378 2.192 50 0 DEAARO COc1cccc2ncn(CC[NH+]3CCCCCC3)c(=O)c21 ZINC000584896456 357329885 /nfs/dbraw/zinc/32/98/85/357329885.db2.gz MIBMVWGYDZTZAM-UHFFFAOYSA-N 1 0 301.390 2.281 50 0 DEAARO Cc1nn[nH]c1C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000584898087 357330004 /nfs/dbraw/zinc/33/00/04/357330004.db2.gz DJMAFSBLNJNGTE-UHFFFAOYSA-N 1 0 305.426 2.032 50 0 DEAARO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1Nc1ccccc1 ZINC000585136562 357337254 /nfs/dbraw/zinc/33/72/54/357337254.db2.gz KTZGJFTWFGLFMX-HNNXBMFYSA-N 1 0 323.396 2.291 50 0 DEAARO CC(C)c1nc(C2(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CCCC2)no1 ZINC000585136443 357337263 /nfs/dbraw/zinc/33/72/63/357337263.db2.gz GNEKYDHKWKXQDD-STQMWFEESA-N 1 0 320.437 2.467 50 0 DEAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657420827 540305855 /nfs/dbraw/zinc/30/58/55/540305855.db2.gz BEZJRCIGYKHJHX-NEPJUHHUSA-N 1 0 316.323 2.431 50 0 DEAARO COc1ccccc1-c1nc(C(=O)N2CC[NH2+][C@@H](C)C2)cs1 ZINC000237349964 202240657 /nfs/dbraw/zinc/24/06/57/202240657.db2.gz HQTQBGKPQYTSOE-NSHDSACASA-N 1 0 317.414 2.253 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)c1 ZINC000237368926 202246502 /nfs/dbraw/zinc/24/65/02/202246502.db2.gz LTSJAUNAHAVQQS-GZBFAFLISA-N 1 0 318.417 2.147 50 0 DEAARO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237522747 202270229 /nfs/dbraw/zinc/27/02/29/202270229.db2.gz BKYDTFBELJTSKJ-RKDXNWHRSA-N 1 0 303.189 2.320 50 0 DEAARO C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[NH2+]1 ZINC000188444328 200247902 /nfs/dbraw/zinc/24/79/02/200247902.db2.gz KEPJYWGJWHPQML-SECBINFHSA-N 1 0 317.252 2.264 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237843130 202368895 /nfs/dbraw/zinc/36/88/95/202368895.db2.gz NTVLKWGQALUWRF-AWEZNQCLSA-N 1 0 312.344 2.230 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000670435001 540932803 /nfs/dbraw/zinc/93/28/03/540932803.db2.gz PPKYYDAMQKMHAM-AWEZNQCLSA-N 1 0 316.854 2.269 50 0 DEAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(=O)[nH]1 ZINC000670433900 540932827 /nfs/dbraw/zinc/93/28/27/540932827.db2.gz JBCNPRIZHXIXSL-LBPRGKRZSA-N 1 0 317.414 2.243 50 0 DEAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000670448184 540935127 /nfs/dbraw/zinc/93/51/27/540935127.db2.gz IYBYGLOKULTLLH-HIFRSBDPSA-N 1 0 306.381 2.195 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)C1=Cc2ccccc2OC=C1 ZINC000670461278 540936864 /nfs/dbraw/zinc/93/68/64/540936864.db2.gz PLWKGKJLIJLQHP-UHFFFAOYSA-N 1 0 321.380 2.330 50 0 DEAARO O[C@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)ccn2)C1 ZINC000670458219 540937015 /nfs/dbraw/zinc/93/70/15/540937015.db2.gz AROOLMSTMWBHOR-LBPRGKRZSA-N 1 0 303.328 2.359 50 0 DEAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000670466077 540937486 /nfs/dbraw/zinc/93/74/86/540937486.db2.gz ZMXIWPURWNGNHX-HNNXBMFYSA-N 1 0 312.417 2.139 50 0 DEAARO Cc1nc(C[N@H+](C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1C ZINC000670467131 540937538 /nfs/dbraw/zinc/93/75/38/540937538.db2.gz IAGLTFGDCPAMRY-AWEZNQCLSA-N 1 0 306.454 2.116 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000195123886 201342513 /nfs/dbraw/zinc/34/25/13/201342513.db2.gz RTIGRZAGHHEZDE-OCCSQVGLSA-N 1 0 322.836 2.349 50 0 DEAARO CC(C)=CC[C@]1(CO)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000091690322 193091189 /nfs/dbraw/zinc/09/11/89/193091189.db2.gz ZKHBNXJXSRLFMX-GOSISDBHSA-N 1 0 308.466 2.428 50 0 DEAARO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)c(C)o1 ZINC000091713496 193096040 /nfs/dbraw/zinc/09/60/40/193096040.db2.gz NXBZPMPMIGQGNU-HZPDHXFCSA-N 1 0 320.433 2.063 50 0 DEAARO Cc1nonc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091621091 193080899 /nfs/dbraw/zinc/08/08/99/193080899.db2.gz QJLBEUQUAUFNQT-QGZVFWFLSA-N 1 0 318.421 2.135 50 0 DEAARO C[C@@H]1C[N@H+](Cc2cnc(N3CCCCC3)nc2)CC[C@]1(C)O ZINC000091818196 193112280 /nfs/dbraw/zinc/11/22/80/193112280.db2.gz GDLYQIAPRHAMAS-PBHICJAKSA-N 1 0 304.438 2.060 50 0 DEAARO CCn1nc(C(C)C)cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000091907808 193125196 /nfs/dbraw/zinc/12/51/96/193125196.db2.gz INZYZBFSYKWOHG-UHFFFAOYSA-N 1 0 304.438 2.385 50 0 DEAARO CCc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091974010 193135360 /nfs/dbraw/zinc/13/53/60/193135360.db2.gz ZVYPYQVMCVZCQQ-AEFFLSMTSA-N 1 0 318.461 2.414 50 0 DEAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000092065460 193151232 /nfs/dbraw/zinc/15/12/32/193151232.db2.gz FAQNAYVANMEHGQ-UHFFFAOYSA-N 1 0 314.437 2.182 50 0 DEAARO OC1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000221380674 201588224 /nfs/dbraw/zinc/58/82/24/201588224.db2.gz BDNLYKFWRZFTQW-UHFFFAOYSA-N 1 0 305.296 2.216 50 0 DEAARO O=C([C@H]1CCOc2ccccc2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000096161114 296126985 /nfs/dbraw/zinc/12/69/85/296126985.db2.gz PDSBTEFRGNHUQQ-INIZCTEOSA-N 1 0 314.429 2.230 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC(F)(F)F)C2)o1 ZINC000093682876 193288707 /nfs/dbraw/zinc/28/87/07/193288707.db2.gz CMDABCRCQZPXNI-LLVKDONJSA-N 1 0 304.312 2.479 50 0 DEAARO Cc1ccc2ncc(C[N@H+]3CC[C@H](Cc4cnn(C)c4)C3)n2c1 ZINC000093870666 193320942 /nfs/dbraw/zinc/32/09/42/193320942.db2.gz QZCIVEXWDLDZQP-OAHLLOKOSA-N 1 0 309.417 2.441 50 0 DEAARO C[C@@H]1C[NH+](C2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000019868078 182157750 /nfs/dbraw/zinc/15/77/50/182157750.db2.gz OJSQJYYLFNJTIJ-HUUCEWRRSA-N 1 0 302.418 2.400 50 0 DEAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1Br ZINC000020055642 182184372 /nfs/dbraw/zinc/18/43/72/182184372.db2.gz JEFLAPBSFOFYON-SNVBAGLBSA-N 1 0 313.195 2.156 50 0 DEAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)cc1 ZINC000020918614 182253595 /nfs/dbraw/zinc/25/35/95/182253595.db2.gz RNQDALGHKDGXDQ-SFHVURJKSA-N 1 0 315.417 2.052 50 0 DEAARO COc1ccccc1[C@H](CNC(=S)NC1CC1)[NH+]1CCCC1 ZINC000021334356 182272021 /nfs/dbraw/zinc/27/20/21/182272021.db2.gz LPURACZTVZCGKF-HNNXBMFYSA-N 1 0 319.474 2.459 50 0 DEAARO C[C@H](NCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000021513291 182276811 /nfs/dbraw/zinc/27/68/11/182276811.db2.gz RONWQBIERFELQV-AWEZNQCLSA-N 1 0 310.463 2.227 50 0 DEAARO COc1ccc(-c2cc(=O)n(CC[NH+]3CCCCC3)cn2)cc1 ZINC000022605173 182327078 /nfs/dbraw/zinc/32/70/78/182327078.db2.gz GXCGADZYSODNGT-UHFFFAOYSA-N 1 0 313.401 2.405 50 0 DEAARO C[NH+]1CCN([C@@H](CNC(=O)C2CCCC2)c2ccsc2)CC1 ZINC000022794248 182334778 /nfs/dbraw/zinc/33/47/78/182334778.db2.gz JFMTYXDAYZRCEV-INIZCTEOSA-N 1 0 321.490 2.343 50 0 DEAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1Cl ZINC000022999084 182344411 /nfs/dbraw/zinc/34/44/11/182344411.db2.gz ZSZIXSFMHXFBFT-UHFFFAOYSA-N 1 0 323.824 2.045 50 0 DEAARO COCc1cn(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)nn1 ZINC000023339652 182357404 /nfs/dbraw/zinc/35/74/04/182357404.db2.gz NULVJTGHTDNJKO-HNNXBMFYSA-N 1 0 304.438 2.493 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 ZINC000023366576 182358751 /nfs/dbraw/zinc/35/87/51/182358751.db2.gz ALQHLQYROHXRKT-MRXNPFEDSA-N 1 0 307.482 2.195 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2nc(C)cc2C)o1 ZINC000032502481 182645125 /nfs/dbraw/zinc/64/51/25/182645125.db2.gz USADYRMRVUVJDE-UHFFFAOYSA-N 1 0 318.421 2.213 50 0 DEAARO Nc1nc(Cl)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000040051228 183030007 /nfs/dbraw/zinc/03/00/07/183030007.db2.gz XKGFTUBDUDIZRN-LBPRGKRZSA-N 1 0 303.797 2.399 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000040598114 183107483 /nfs/dbraw/zinc/10/74/83/183107483.db2.gz DFFKEJBXYZSUGH-SNVBAGLBSA-N 1 0 320.817 2.099 50 0 DEAARO COc1ccc2[nH+]c(C)cc(N[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000041474230 183193749 /nfs/dbraw/zinc/19/37/49/183193749.db2.gz NWCYZITXKRMDGK-NSHDSACASA-N 1 0 306.387 2.151 50 0 DEAARO CC(C)[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@H]1CCO ZINC000104645872 194021684 /nfs/dbraw/zinc/02/16/84/194021684.db2.gz ZNSIMYIVOSIJCV-CQSZACIVSA-N 1 0 312.841 2.323 50 0 DEAARO CC(C)[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)cc1 ZINC000049067070 183709719 /nfs/dbraw/zinc/70/97/19/183709719.db2.gz HLHVILWJECYZAO-AWEZNQCLSA-N 1 0 302.415 2.052 50 0 DEAARO CC[NH+]1CCC(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000057000500 184024139 /nfs/dbraw/zinc/02/41/39/184024139.db2.gz WCYNOEQYWCMORN-MRXNPFEDSA-N 1 0 322.836 2.492 50 0 DEAARO CCOc1cc(C[NH2+][C@H]2CCCNC2=O)ccc1OC(F)F ZINC000058098830 184074889 /nfs/dbraw/zinc/07/48/89/184074889.db2.gz WQRXLNNNFZWENJ-NSHDSACASA-N 1 0 314.332 2.055 50 0 DEAARO COCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)C1CC1 ZINC000058229098 184091513 /nfs/dbraw/zinc/09/15/13/184091513.db2.gz QOLWQDFMICZTBF-LBPRGKRZSA-N 1 0 301.390 2.170 50 0 DEAARO O=C(C[C@@H]1CCCO1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058160368 184082253 /nfs/dbraw/zinc/08/22/53/184082253.db2.gz VDSJSJDATMANRJ-INIZCTEOSA-N 1 0 320.408 2.475 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1ccnc1)c1ccco1 ZINC000058354799 184107831 /nfs/dbraw/zinc/10/78/31/184107831.db2.gz HAWLLWSFXXOADU-ZIAGYGMSSA-N 1 0 304.394 2.236 50 0 DEAARO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000058264090 184095445 /nfs/dbraw/zinc/09/54/45/184095445.db2.gz MMINQTKVAOPQHH-KRWDZBQOSA-N 1 0 314.385 2.477 50 0 DEAARO C[C@H](CNC(=O)Cc1cn2ccsc2n1)[NH+]1CCC(C)CC1 ZINC000058283735 184100505 /nfs/dbraw/zinc/10/05/05/184100505.db2.gz YKXKFDICHKAAIM-CYBMUJFWSA-N 1 0 320.462 2.175 50 0 DEAARO Cn1nccc1C1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000058290005 184101008 /nfs/dbraw/zinc/10/10/08/184101008.db2.gz JNWVCOMSOROYON-QGZVFWFLSA-N 1 0 303.381 2.472 50 0 DEAARO COCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058393231 184112561 /nfs/dbraw/zinc/11/25/61/184112561.db2.gz BIUKDYYWZGOHGW-UHFFFAOYSA-N 1 0 318.339 2.242 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 ZINC000058405225 184113834 /nfs/dbraw/zinc/11/38/34/184113834.db2.gz QQSUFEJPICUNOF-STQMWFEESA-N 1 0 314.389 2.047 50 0 DEAARO C[NH+](C)CCSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000060479090 184150206 /nfs/dbraw/zinc/15/02/06/184150206.db2.gz PERJUOZNCSDTKI-LBPRGKRZSA-N 1 0 307.375 2.236 50 0 DEAARO C[NH+](C)CCOc1ccccc1C(=O)Nn1cnc2ccccc21 ZINC000059003117 184133242 /nfs/dbraw/zinc/13/32/42/184133242.db2.gz JZBARMCAPDGEIU-UHFFFAOYSA-N 1 0 324.384 2.361 50 0 DEAARO Cc1noc2ncc(C(=O)N3CC[NH+](CCC(C)C)CC3)cc12 ZINC000061866123 184190570 /nfs/dbraw/zinc/19/05/70/184190570.db2.gz VVNRCHKSRVJLCR-UHFFFAOYSA-N 1 0 316.405 2.335 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000269151722 207278761 /nfs/dbraw/zinc/27/87/61/207278761.db2.gz RSPPFERCWWXSFA-MNOVXSKESA-N 1 0 314.788 2.314 50 0 DEAARO CCNc1cc(NCCNC(=O)c2ccc(C)cc2)nc(C)[nH+]1 ZINC000065362885 184328488 /nfs/dbraw/zinc/32/84/88/184328488.db2.gz BYYBSLJKXVEBBM-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nc(C)cs2)CC1 ZINC000065415366 184340991 /nfs/dbraw/zinc/34/09/91/184340991.db2.gz MZMIVTGHLCKDAL-UHFFFAOYSA-N 1 0 324.494 2.126 50 0 DEAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1 ZINC000065431457 184344257 /nfs/dbraw/zinc/34/42/57/184344257.db2.gz UVJLHPJDOODRTL-CQSZACIVSA-N 1 0 319.449 2.254 50 0 DEAARO COc1cccc([C@@H]2CC[N@H+](Cc3cccnc3N)C[C@H]2O)c1 ZINC000065464952 184350232 /nfs/dbraw/zinc/35/02/32/184350232.db2.gz MMPPXZYDXGOAIA-DLBZAZTESA-N 1 0 313.401 2.023 50 0 DEAARO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)nc1 ZINC000065487569 184352367 /nfs/dbraw/zinc/35/23/67/184352367.db2.gz RFTWAQMIKGZVQI-MRXNPFEDSA-N 1 0 312.417 2.023 50 0 DEAARO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)n1 ZINC000065407332 184338751 /nfs/dbraw/zinc/33/87/51/184338751.db2.gz HKTSMMYPWFQTSJ-KRWDZBQOSA-N 1 0 312.417 2.112 50 0 DEAARO O=c1[nH]c(Cc2c(Cl)cccc2Cl)nc2c1CC[NH2+]CC2 ZINC000065528178 184360192 /nfs/dbraw/zinc/36/01/92/184360192.db2.gz OWZNSRSKAXRMMJ-UHFFFAOYSA-N 1 0 324.211 2.356 50 0 DEAARO COc1ccc(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)c(OC)c1 ZINC000065497357 184355131 /nfs/dbraw/zinc/35/51/31/184355131.db2.gz DAADILZEYYANRT-AWEZNQCLSA-N 1 0 320.433 2.442 50 0 DEAARO CC[C@@H](CO)N(Cc1ccccc1C)C(=O)C1(C)CC[NH2+]CC1 ZINC000065502850 184356188 /nfs/dbraw/zinc/35/61/88/184356188.db2.gz JOTAHOFIGPSBFJ-KRWDZBQOSA-N 1 0 318.461 2.484 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000065508650 184356713 /nfs/dbraw/zinc/35/67/13/184356713.db2.gz QFOOXXFVLGRRNH-UHFFFAOYSA-N 1 0 308.447 2.101 50 0 DEAARO Cc1ccc(F)c(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000066074674 184386853 /nfs/dbraw/zinc/38/68/53/184386853.db2.gz WPRSSGWCSNEVRJ-CQSZACIVSA-N 1 0 320.408 2.459 50 0 DEAARO COc1ccc(-n2ccnc2-c2nccn2CC[NH+](C)C)cc1 ZINC000067740493 184483918 /nfs/dbraw/zinc/48/39/18/184483918.db2.gz COOFWUGNCWXORY-UHFFFAOYSA-N 1 0 311.389 2.306 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000120112315 195098878 /nfs/dbraw/zinc/09/88/78/195098878.db2.gz VEGNLHATDDJTOW-KGLIPLIRSA-N 1 0 321.446 2.242 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)[C@@H]1C[NH3+] ZINC000156794987 197141590 /nfs/dbraw/zinc/14/15/90/197141590.db2.gz KVVXEVKFEIJFET-MOCUHTECSA-N 1 0 300.402 2.221 50 0 DEAARO NC(=O)[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000026160463 257210855 /nfs/dbraw/zinc/21/08/55/257210855.db2.gz LXOGFOCLZLMTMC-LJQANCHMSA-N 1 0 323.440 2.467 50 0 DEAARO c1ccc2[nH]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000270600302 257238119 /nfs/dbraw/zinc/23/81/19/257238119.db2.gz VTZUFFAEKRBFII-CYBMUJFWSA-N 1 0 300.406 2.476 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000237527734 257238449 /nfs/dbraw/zinc/23/84/49/257238449.db2.gz AGYYQFJJKFYKBI-QWRGUYRKSA-N 1 0 320.343 2.102 50 0 DEAARO COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237105220 257239750 /nfs/dbraw/zinc/23/97/50/257239750.db2.gz JHIUTVGWOVEUHC-KBPBESRZSA-N 1 0 306.406 2.111 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000334160488 257262260 /nfs/dbraw/zinc/26/22/60/257262260.db2.gz FVBNVOMBGIVTTP-CJNGLKHVSA-N 1 0 316.449 2.235 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([NH2+]CCn3cccn3)[C@H]21 ZINC000685940532 542769013 /nfs/dbraw/zinc/76/90/13/542769013.db2.gz NMZKKVUJNMFDNY-KKUMJFAQSA-N 1 0 320.437 2.261 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000185679475 292171439 /nfs/dbraw/zinc/17/14/39/292171439.db2.gz URPFLDZFPZELKB-GOEBONIOSA-N 1 0 311.447 2.316 50 0 DEAARO CCOCC(=O)N[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1C(C)C ZINC000091707889 286026352 /nfs/dbraw/zinc/02/63/52/286026352.db2.gz PZFODJJJQUJRDP-NEPJUHHUSA-N 1 0 310.360 2.048 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000073771276 401721291 /nfs/dbraw/zinc/72/12/91/401721291.db2.gz UHCJJDVIQUGHOY-UHFFFAOYSA-N 1 0 316.430 2.294 50 0 DEAARO CCn1cc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cn1 ZINC000074429029 401738177 /nfs/dbraw/zinc/73/81/77/401738177.db2.gz KJTKSYCTSGALDC-UHFFFAOYSA-N 1 0 316.405 2.233 50 0 DEAARO CC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 ZINC000007437481 401740373 /nfs/dbraw/zinc/74/03/73/401740373.db2.gz WLMISUPFOYUTMZ-UHFFFAOYSA-N 1 0 303.406 2.277 50 0 DEAARO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000008171678 401749271 /nfs/dbraw/zinc/74/92/71/401749271.db2.gz PDOCOKNUBPUSJQ-HIFRSBDPSA-N 1 0 317.433 2.334 50 0 DEAARO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COCc1ccccc1 ZINC000000098607 401687983 /nfs/dbraw/zinc/68/79/83/401687983.db2.gz NLYLYMLINBLGKE-KRWDZBQOSA-N 1 0 311.405 2.352 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000071870414 401689592 /nfs/dbraw/zinc/68/95/92/401689592.db2.gz DEVDELGKFXSWCX-IRXDYDNUSA-N 1 0 312.417 2.191 50 0 DEAARO Fc1ccccc1OCC[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071876168 401690177 /nfs/dbraw/zinc/69/01/77/401690177.db2.gz OYWCUFAUBMBBPD-AWEZNQCLSA-N 1 0 304.369 2.351 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000071882061 401691712 /nfs/dbraw/zinc/69/17/12/401691712.db2.gz BJEXIBCHNMWLJF-IIAWOOMASA-N 1 0 303.406 2.473 50 0 DEAARO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000000783059 401702649 /nfs/dbraw/zinc/70/26/49/401702649.db2.gz XVRZXWBWXZFCJX-CYBMUJFWSA-N 1 0 306.406 2.260 50 0 DEAARO CC(C)NC(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072141698 401703355 /nfs/dbraw/zinc/70/33/55/401703355.db2.gz GTIMBAYORPYQKB-MRXNPFEDSA-N 1 0 301.434 2.326 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000072253142 401704403 /nfs/dbraw/zinc/70/44/03/401704403.db2.gz IKFYAAOHWOFHGM-HNNXBMFYSA-N 1 0 318.446 2.206 50 0 DEAARO C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000001210056 401704692 /nfs/dbraw/zinc/70/46/92/401704692.db2.gz IKWRGCJITJVXSP-ZFWWWQNUSA-N 1 0 307.390 2.025 50 0 DEAARO Cc1ccoc1C[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300648 401708459 /nfs/dbraw/zinc/70/84/59/401708459.db2.gz ZELBEEGQAMHBIF-UONOGXRCSA-N 1 0 314.451 2.126 50 0 DEAARO C[N@@H+]1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000002019505 401711630 /nfs/dbraw/zinc/71/16/30/401711630.db2.gz YIYNRMJWZJVPOO-QGZVFWFLSA-N 1 0 311.381 2.170 50 0 DEAARO CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000013323842 401798974 /nfs/dbraw/zinc/79/89/74/401798974.db2.gz NPBVYNWWJOWVQD-INIZCTEOSA-N 1 0 306.406 2.017 50 0 DEAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000013677977 401802692 /nfs/dbraw/zinc/80/26/92/401802692.db2.gz NSRULVITUAAHIM-UHFFFAOYSA-N 1 0 315.461 2.450 50 0 DEAARO CC(C)(C)NC(=O)CC[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000075137035 401751695 /nfs/dbraw/zinc/75/16/95/401751695.db2.gz AEBXHXILIPOGGQ-UHFFFAOYSA-N 1 0 318.343 2.091 50 0 DEAARO C[N@H+](CC(=O)N1CCc2ccccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000075145359 401752250 /nfs/dbraw/zinc/75/22/50/401752250.db2.gz YYYZOHWXAGBMDX-QGTPRVQTSA-N 1 0 314.429 2.321 50 0 DEAARO CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2CC)cn1C ZINC000075215617 401754364 /nfs/dbraw/zinc/75/43/64/401754364.db2.gz VSSMNKCCMCTNSW-CYBMUJFWSA-N 1 0 307.394 2.015 50 0 DEAARO CSc1ccc(OCC[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1 ZINC000075640033 401765710 /nfs/dbraw/zinc/76/57/10/401765710.db2.gz GMXIOOAMSMBVPA-AWEZNQCLSA-N 1 0 308.447 2.388 50 0 DEAARO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000010030218 401767296 /nfs/dbraw/zinc/76/72/96/401767296.db2.gz ACSMDUIFFCDHPA-MOPGFXCFSA-N 1 0 317.429 2.332 50 0 DEAARO c1ccc([C@H]2C[N@H+](CCCN3CCOCC3)CCS2)cc1 ZINC000075748350 401768579 /nfs/dbraw/zinc/76/85/79/401768579.db2.gz LFLCVNFPYXDTJT-QGZVFWFLSA-N 1 0 306.475 2.499 50 0 DEAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@@H]2c1ccccc1 ZINC000010385409 401770216 /nfs/dbraw/zinc/77/02/16/401770216.db2.gz GFORCCDHEWNEBJ-INIZCTEOSA-N 1 0 323.400 2.366 50 0 DEAARO Cc1ncsc1C[N@@H+]1CC[C@@H](Nc2ncnc3c2CCC3)C1 ZINC000075877036 401772059 /nfs/dbraw/zinc/77/20/59/401772059.db2.gz 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/nfs/dbraw/zinc/81/83/21/401818321.db2.gz JWIYDASJRNVGNN-UHFFFAOYSA-N 1 0 319.474 2.201 50 0 DEAARO CC1(C)CCC[C@@H]([NH+]2CCC(Cn3cc(CCO)nn3)CC2)C1 ZINC000020600003 401824261 /nfs/dbraw/zinc/82/42/61/401824261.db2.gz PPIXMOANJPLDSS-QGZVFWFLSA-N 1 0 320.481 2.494 50 0 DEAARO Nc1nc(CCNC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)cs1 ZINC000020452146 401824325 /nfs/dbraw/zinc/82/43/25/401824325.db2.gz SXJPNBCEWUPBBH-SNVBAGLBSA-N 1 0 322.459 2.184 50 0 DEAARO COc1ccccc1C(C)(C)[NH2+]CC(=O)NCC(F)(F)F ZINC000078440881 401851669 /nfs/dbraw/zinc/85/16/69/401851669.db2.gz YWMABJLWQZZHMG-UHFFFAOYSA-N 1 0 304.312 2.198 50 0 DEAARO CC[C@H]1c2ccsc2CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000030224517 401861684 /nfs/dbraw/zinc/86/16/84/401861684.db2.gz BNQKHNBRGJDOLS-LBPRGKRZSA-N 1 0 321.446 2.388 50 0 DEAARO CC[N@@H+](Cc1ccn(C)c(=O)c1)C[C@@H]1COc2ccccc2O1 ZINC000042112783 401931429 /nfs/dbraw/zinc/93/14/29/401931429.db2.gz DKNYAPFKBDVRRQ-OAHLLOKOSA-N 1 0 314.385 2.047 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCC3)C1 ZINC000032268681 401877671 /nfs/dbraw/zinc/87/76/71/401877671.db2.gz VMTDFNUCSNDDNL-AWEZNQCLSA-N 1 0 322.474 2.323 50 0 DEAARO Cc1ccc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000032754950 401882822 /nfs/dbraw/zinc/88/28/22/401882822.db2.gz ULESJMKZLNNFQR-HZPDHXFCSA-N 1 0 319.449 2.294 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000032780827 401882947 /nfs/dbraw/zinc/88/29/47/401882947.db2.gz PEZKVKCGDVUYAX-AEFFLSMTSA-N 1 0 310.397 2.409 50 0 DEAARO C[NH+](C)CCNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059822 401888336 /nfs/dbraw/zinc/88/83/36/401888336.db2.gz DHVDUWINSRCNDF-UHFFFAOYSA-N 1 0 314.414 2.378 50 0 DEAARO C[C@H]([NH3+])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034929430 401894426 /nfs/dbraw/zinc/89/44/26/401894426.db2.gz UIMOGNCZKXZKQQ-INIZCTEOSA-N 1 0 323.440 2.267 50 0 DEAARO O=C(c1cccc(F)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103388 401902494 /nfs/dbraw/zinc/90/24/94/401902494.db2.gz 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ZINC000048341709 401998160 /nfs/dbraw/zinc/99/81/60/401998160.db2.gz SZBRFVCNOVDZGV-UHFFFAOYSA-N 1 0 319.405 2.327 50 0 DEAARO C[C@H](c1ccccn1)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089924876 401973546 /nfs/dbraw/zinc/97/35/46/401973546.db2.gz BOAJOSWUFWJHLX-CJNGLKHVSA-N 1 0 300.406 2.322 50 0 DEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)s2)CC1 ZINC000048331527 401998541 /nfs/dbraw/zinc/99/85/41/401998541.db2.gz FRVDVVNPEOMMJN-UHFFFAOYSA-N 1 0 315.870 2.159 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000048022981 401992376 /nfs/dbraw/zinc/99/23/76/401992376.db2.gz FMWYVBLBDWWDEK-HNNXBMFYSA-N 1 0 322.836 2.063 50 0 DEAARO CCCn1cnc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000048257909 401996500 /nfs/dbraw/zinc/99/65/00/401996500.db2.gz ZYPDFIGFPSLKKH-UHFFFAOYSA-N 1 0 308.430 2.119 50 0 DEAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000089310061 401942334 /nfs/dbraw/zinc/94/23/34/401942334.db2.gz MSICICSKFQEBTQ-GFCCVEGCSA-N 1 0 318.377 2.057 50 0 DEAARO Cc1cccn2c(=O)cc(C[N@H+](C[C@@H]3CCOC3)C3CC3)nc12 ZINC000048250972 401996816 /nfs/dbraw/zinc/99/68/16/401996816.db2.gz QUYYINHMNLHYNC-AWEZNQCLSA-N 1 0 313.401 2.004 50 0 DEAARO C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1c1nccs1 ZINC000095351852 402026706 /nfs/dbraw/zinc/02/67/06/402026706.db2.gz FKOUHKPIBCLEPK-CYBMUJFWSA-N 1 0 322.478 2.103 50 0 DEAARO CCc1c(C)[nH+]c(N)nc1N1CC(Oc2ccc(F)cc2)C1 ZINC000095357327 402026937 /nfs/dbraw/zinc/02/69/37/402026937.db2.gz JLTHZRYOUYCUBH-UHFFFAOYSA-N 1 0 302.353 2.336 50 0 DEAARO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](O)c1ccc(O)cc1 ZINC000095363797 402028323 /nfs/dbraw/zinc/02/83/23/402028323.db2.gz NXDGRMIGFJHRPP-RDTXWAMCSA-N 1 0 320.433 2.196 50 0 DEAARO O=C(NCCc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095367397 402028482 /nfs/dbraw/zinc/02/84/82/402028482.db2.gz JXYCPMANACIQRK-MRXNPFEDSA-N 1 0 313.401 2.246 50 0 DEAARO CC(C)c1nnsc1CNC(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000095376382 402029624 /nfs/dbraw/zinc/02/96/24/402029624.db2.gz 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/nfs/dbraw/zinc/03/92/00/402039200.db2.gz XNISMYMCKNLGNV-KRWDZBQOSA-N 1 0 319.424 2.382 50 0 DEAARO CC(=O)Nc1ccc(C)cc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000095974908 402039740 /nfs/dbraw/zinc/03/97/40/402039740.db2.gz SJPLLAULUNJEIL-INIZCTEOSA-N 1 0 320.433 2.425 50 0 DEAARO CC1(C)[C@H]([NH2+]Cc2ccccc2OCCO)[C@@H]2CCCO[C@@H]21 ZINC000095987948 402043436 /nfs/dbraw/zinc/04/34/36/402043436.db2.gz QEYWUNINMWWQEP-UAGQMJEPSA-N 1 0 305.418 2.351 50 0 DEAARO Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000096001639 402045448 /nfs/dbraw/zinc/04/54/48/402045448.db2.gz KQFFLGAZEOWTRQ-OAHLLOKOSA-N 1 0 322.453 2.342 50 0 DEAARO Cc1cnc([C@H](C)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000096013821 402047597 /nfs/dbraw/zinc/04/75/97/402047597.db2.gz ZQFKXXIMLSPDMH-YPMHNXCESA-N 1 0 322.478 2.339 50 0 DEAARO COc1ccc2c3c1O[C@H]1C(OC)=CC=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000053199482 402052091 /nfs/dbraw/zinc/05/20/91/402052091.db2.gz FQXXSQDCDRQNQE-VMDGZTHMSA-N 1 0 311.381 2.425 50 0 endogenous,in-man DEAARO Cc1noc(C)c1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053989991 402061075 /nfs/dbraw/zinc/06/10/75/402061075.db2.gz AXKAWLOLHNAFBL-UHFFFAOYSA-N 1 0 314.389 2.081 50 0 DEAARO CSc1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000096405944 402078238 /nfs/dbraw/zinc/07/82/38/402078238.db2.gz WHJHJBSUMNTLNV-UHFFFAOYSA-N 1 0 322.478 2.137 50 0 DEAARO CCn1ncnc1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000055327976 402079739 /nfs/dbraw/zinc/07/97/39/402079739.db2.gz TZLQKKMNFRGFAC-UHFFFAOYSA-N 1 0 301.438 2.170 50 0 DEAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ncccc1O ZINC000055324883 402079856 /nfs/dbraw/zinc/07/98/56/402079856.db2.gz ZJDBIHWFWWOUOX-UHFFFAOYSA-N 1 0 319.430 2.361 50 0 DEAARO Cc1nsc(NC(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000055413521 402081783 /nfs/dbraw/zinc/08/17/83/402081783.db2.gz BFEUNBCHKFWKFV-UHFFFAOYSA-N 1 0 305.407 2.230 50 0 DEAARO C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1ccncc1 ZINC000096424717 402083836 /nfs/dbraw/zinc/08/38/36/402083836.db2.gz SWAAGCSTISWZIB-UHFFFAOYSA-N 1 0 310.445 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CCN(CCn1cccn1)C(=O)C[C@H](C)[NH+]1CCCCCC1 ZINC001506418208 1061962881 /nfs/dbraw/zinc/96/28/81/1061962881.db2.gz OLVALRIEVNNJME-INIZCTEOSA-N 1 0 306.454 2.386 50 0 DEAARO CC(C)CCOc1cccc(CCNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000821158165 1090577977 /nfs/dbraw/zinc/57/79/77/1090577977.db2.gz DHOZASNJYBSDID-MRXNPFEDSA-N 1 0 319.449 2.397 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000823690356 1090695698 /nfs/dbraw/zinc/69/56/98/1090695698.db2.gz WIMGDOIUCRVIEH-LLVKDONJSA-N 1 0 302.344 2.187 50 0 DEAARO Cc1nnc(NCC2([NH+](C)C)CCN(C)CC2)c2ccccc12 ZINC000823759386 1090697528 /nfs/dbraw/zinc/69/75/28/1090697528.db2.gz DLEXIIZBCIJLLH-UHFFFAOYSA-N 1 0 313.449 2.376 50 0 DEAARO CNC(=O)c1cccc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000823836543 1090703110 /nfs/dbraw/zinc/70/31/10/1090703110.db2.gz BHMLHBMBHPCKMY-DZGCQCFKSA-N 1 0 302.422 2.118 50 0 DEAARO O=C1OC2(CN1Cc1cc3c(cc1Cl)OCO3)CC[NH2+]CC2 ZINC000095498600 185374427 /nfs/dbraw/zinc/37/44/27/185374427.db2.gz OXXIKIHCIQKKMD-UHFFFAOYSA-N 1 0 324.764 2.143 50 0 DEAARO C[C@H](c1cccnc1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076981085 185062854 /nfs/dbraw/zinc/06/28/54/185062854.db2.gz CBTYAHNGNQOIGX-CZUORRHYSA-N 1 0 302.422 2.268 50 0 DEAARO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C ZINC000081818485 192328122 /nfs/dbraw/zinc/32/81/22/192328122.db2.gz CGOFNMXLHUOTKZ-WBVHZDCISA-N 1 0 308.422 2.095 50 0 DEAARO C[NH+](C)Cc1cccc(NC(=O)c2n[nH]cc2Br)c1 ZINC000078926590 185129772 /nfs/dbraw/zinc/12/97/72/185129772.db2.gz UANJLXRFQLDFBM-UHFFFAOYSA-N 1 0 323.194 2.486 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC13CCCC3)CC2 ZINC000328801826 231352051 /nfs/dbraw/zinc/35/20/51/231352051.db2.gz AMABJROEHIIKTB-ZIAGYGMSSA-N 1 0 304.438 2.442 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cnc2c(C)cccn12 ZINC000089949139 185271095 /nfs/dbraw/zinc/27/10/95/185271095.db2.gz NQFJFVJWFBSNJH-NVXWUHKLSA-N 1 0 314.433 2.379 50 0 DEAARO C[C@H]1CCC[N@@H+]1C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000090137966 185283549 /nfs/dbraw/zinc/28/35/49/185283549.db2.gz XOMLSEMLTAOEGE-LBPRGKRZSA-N 1 0 312.421 2.060 50 0 DEAARO C[C@H](C[NH2+]Cc1cc(F)ccc1Br)[S@](C)=O ZINC000090193580 185286469 /nfs/dbraw/zinc/28/64/69/185286469.db2.gz BNVZUGVWPVTKAP-VPTHRUTESA-N 1 0 308.216 2.445 50 0 DEAARO Cc1cc(N2CCCN(C(=O)CCc3ccccn3)CC2)cc[nH+]1 ZINC000082096833 192355581 /nfs/dbraw/zinc/35/55/81/192355581.db2.gz GOGOCRXXOUHULC-UHFFFAOYSA-N 1 0 324.428 2.457 50 0 DEAARO NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000095405133 185355647 /nfs/dbraw/zinc/35/56/47/185355647.db2.gz QCZMWLYVFZPASW-LJQANCHMSA-N 1 0 322.408 2.249 50 0 DEAARO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000095415402 185358856 /nfs/dbraw/zinc/35/88/56/185358856.db2.gz HSTOPCDDMMTPFB-NSHDSACASA-N 1 0 324.833 2.413 50 0 DEAARO CC(C)OC1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095434916 185364460 /nfs/dbraw/zinc/36/44/60/185364460.db2.gz KCULTCVYKHXGEX-FHERZECASA-N 1 0 311.470 2.364 50 0 DEAARO NC(=O)N1CCc2cc(NC(=O)c3ccn4c[nH+]cc4c3)ccc21 ZINC000095435605 185364639 /nfs/dbraw/zinc/36/46/39/185364639.db2.gz KVEDPFSYJNROMR-UHFFFAOYSA-N 1 0 321.340 2.028 50 0 DEAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095421170 185360502 /nfs/dbraw/zinc/36/05/02/185360502.db2.gz PHCIOCPEHVFIRX-KBPBESRZSA-N 1 0 315.421 2.236 50 0 DEAARO CC[C@@H]1COCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000095447913 185368238 /nfs/dbraw/zinc/36/82/38/185368238.db2.gz FXDKMUTXLBOZBG-OAHLLOKOSA-N 1 0 323.412 2.208 50 0 DEAARO C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095448750 185368442 /nfs/dbraw/zinc/36/84/42/185368442.db2.gz ZNYBWBYKRPGUCO-LZWOXQAQSA-N 1 0 309.454 2.260 50 0 DEAARO CC(C)c1cc(C(=O)N2CC[C@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000097019563 185398114 /nfs/dbraw/zinc/39/81/14/185398114.db2.gz ZXYMCGXDUBVWTN-LBPRGKRZSA-N 1 0 315.421 2.309 50 0 DEAARO Cc1cc([C@@](C)(O)CNC(=O)CCC[NH+]2CCCCC2)c(C)o1 ZINC000081818895 539385523 /nfs/dbraw/zinc/38/55/23/539385523.db2.gz KCBIRPBUDZOJFL-SFHVURJKSA-N 1 0 322.449 2.486 50 0 DEAARO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@H]1CCCO1 ZINC000241466188 529962331 /nfs/dbraw/zinc/96/23/31/529962331.db2.gz NVIGZZYRBSCWAG-HUUCEWRRSA-N 1 0 310.463 2.232 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000493452045 290718582 /nfs/dbraw/zinc/71/85/82/290718582.db2.gz LJXWBOXDAOASOL-ZQMJAJRESA-N 1 0 300.402 2.093 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000084597488 539396674 /nfs/dbraw/zinc/39/66/74/539396674.db2.gz KADANQGNGMSPQE-HNNXBMFYSA-N 1 0 311.470 2.412 50 0 DEAARO O=C(CNc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229187218 201825366 /nfs/dbraw/zinc/82/53/66/201825366.db2.gz LLKUZCIYKZJUPK-CABCVRRESA-N 1 0 307.825 2.495 50 0 DEAARO O[C@H](COc1ccccc1)CN1CC[NH+](CC2CCCC2)CC1 ZINC000069771718 190815116 /nfs/dbraw/zinc/81/51/16/190815116.db2.gz VRXBIROEXJRQLD-SFHVURJKSA-N 1 0 318.461 2.234 50 0 DEAARO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCS(C)(=O)=O ZINC000219371871 539727232 /nfs/dbraw/zinc/72/72/32/539727232.db2.gz KNSFSAWDUIVXRX-SNVBAGLBSA-N 1 0 320.252 2.014 50 0 DEAARO Cc1ccccc1[C@H](O)CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237614134 539748158 /nfs/dbraw/zinc/74/81/58/539748158.db2.gz KHZWOFYXZDMANW-ZTFGCOKTSA-N 1 0 312.413 2.481 50 0 DEAARO Cc1cccc(NC(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c1C ZINC000072141662 191049538 /nfs/dbraw/zinc/04/95/38/191049538.db2.gz VKMYPZYJDGSDAE-HNNXBMFYSA-N 1 0 305.422 2.345 50 0 DEAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cccc2ccnn21 ZINC000072144487 191051854 /nfs/dbraw/zinc/05/18/54/191051854.db2.gz CBCAQIBWAHYOAU-UHFFFAOYSA-N 1 0 300.406 2.282 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1cc(Cl)c2cc[nH]c2n1 ZINC000072154598 191058643 /nfs/dbraw/zinc/05/86/43/191058643.db2.gz PSGBRKSWQUMPCP-NSHDSACASA-N 1 0 308.813 2.475 50 0 DEAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)C(F)F ZINC000072161769 191062433 /nfs/dbraw/zinc/06/24/33/191062433.db2.gz NKLZWQLVYHURMF-BDAKNGLRSA-N 1 0 306.259 2.143 50 0 DEAARO COc1ccccc1C[NH+]1CCC2(C[C@H](C(=O)[O-])[N@H+](C)C2)CC1 ZINC000072174230 191070672 /nfs/dbraw/zinc/07/06/72/191070672.db2.gz CWSUMCLMIDGJMX-OAHLLOKOSA-N 1 0 318.417 2.066 50 0 DEAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccsc2)ncn1 ZINC000072254087 191088658 /nfs/dbraw/zinc/08/86/58/191088658.db2.gz LSMLMXPMZCAAJC-ZDUSSCGKSA-N 1 0 303.435 2.338 50 0 DEAARO CC[C@@H]1CN(Cc2nc3ccccc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000072279703 191100164 /nfs/dbraw/zinc/10/01/64/191100164.db2.gz IVUWYJMOZCXOFV-ZIAGYGMSSA-N 1 0 303.406 2.105 50 0 DEAARO CN(C)[C@@H](CNC1=[NH+]CCCN1)c1cccc(C(F)(F)F)c1 ZINC000183887455 186227389 /nfs/dbraw/zinc/22/73/89/186227389.db2.gz YXSCEJIJUSRYAF-ZDUSSCGKSA-N 1 0 314.355 2.247 50 0 DEAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cncn3C)C2)c1 ZINC000237467265 186294041 /nfs/dbraw/zinc/29/40/41/186294041.db2.gz KKCNCLYKBFXQHF-AWEZNQCLSA-N 1 0 300.406 2.045 50 0 DEAARO COC(=O)[C@H](C)C[N@H+](Cc1cncn1C)Cc1ccccc1 ZINC000072312076 191119223 /nfs/dbraw/zinc/11/92/23/191119223.db2.gz HUUIUNQJLWAXMW-CQSZACIVSA-N 1 0 301.390 2.231 50 0 DEAARO C[N@H+]1C[C@H]2CN(c3cc(-c4ccccc4)nc4ccnn43)C[C@H]2C1 ZINC000072428241 191160924 /nfs/dbraw/zinc/16/09/24/191160924.db2.gz MCQAPDJGELHCHN-IYBDPMFKSA-N 1 0 319.412 2.394 50 0 DEAARO CCOc1ccc(Cl)cc1CN(C)C[C@@]1(O)CCC[NH2+]C1 ZINC000072431433 191162462 /nfs/dbraw/zinc/16/24/62/191162462.db2.gz WSVMYXFDEHBMFY-MRXNPFEDSA-N 1 0 312.841 2.285 50 0 DEAARO COc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)cn1 ZINC000072474491 191176604 /nfs/dbraw/zinc/17/66/04/191176604.db2.gz QUICLNPQXNJKLH-LSDHHAIUSA-N 1 0 308.447 2.229 50 0 DEAARO O=C(CCCn1cccn1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000299754342 539860000 /nfs/dbraw/zinc/86/00/00/539860000.db2.gz BHQWQTOOBSZEJI-HOTGVXAUSA-N 1 0 304.438 2.044 50 0 biogenic DEAARO Oc1ccc(CN2CCC([NH+]3CCC(O)CC3)CC2)c(Cl)c1 ZINC000072476866 191178668 /nfs/dbraw/zinc/17/86/68/191178668.db2.gz OMRMKSVXOBKLTR-UHFFFAOYSA-N 1 0 324.852 2.467 50 0 DEAARO CC(C)CNC(=O)C[N@H+](C)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666803 191211738 /nfs/dbraw/zinc/21/17/38/191211738.db2.gz XZYDMZLSGPIQTR-UHFFFAOYSA-N 1 0 321.440 2.499 50 0 DEAARO CC1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000003538725 181031265 /nfs/dbraw/zinc/03/12/65/181031265.db2.gz IWQLAXUFBHYPGH-UHFFFAOYSA-N 1 0 317.433 2.194 50 0 DEAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2)C1 ZINC000004978462 353993712 /nfs/dbraw/zinc/99/37/12/353993712.db2.gz NCHZHXSMIGSILB-OAHLLOKOSA-N 1 0 320.433 2.481 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C)C1 ZINC000004248007 181088059 /nfs/dbraw/zinc/08/80/59/181088059.db2.gz IKTWWBOPIQJMLJ-CVEARBPZSA-N 1 0 321.417 2.010 50 0 DEAARO O[C@@H](C[NH2+]C[C@@H]1OCCc2ccccc21)COc1ccccc1 ZINC000004769863 181149766 /nfs/dbraw/zinc/14/97/66/181149766.db2.gz DOMDGVSFKLBTOO-LPHOPBHVSA-N 1 0 313.397 2.330 50 0 DEAARO C[NH+](C)CCNC(=O)c1cc(Br)ccc1Cl ZINC000004785067 181151740 /nfs/dbraw/zinc/15/17/40/181151740.db2.gz BKGSDWFLEWXTOZ-UHFFFAOYSA-N 1 0 305.603 2.394 50 0 DEAARO CC[NH+]1CCN(C(=O)Cc2cccn2-c2ccc(C)cc2)CC1 ZINC000065170857 354679806 /nfs/dbraw/zinc/67/98/06/354679806.db2.gz SLLJMDSKJQCUSR-UHFFFAOYSA-N 1 0 311.429 2.492 50 0 DEAARO CCCn1cnnc1C1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000065287605 354681649 /nfs/dbraw/zinc/68/16/49/354681649.db2.gz CZCRWLXKLJZDPP-UHFFFAOYSA-N 1 0 302.426 2.284 50 0 DEAARO CCOc1ncccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071875029 354897519 /nfs/dbraw/zinc/89/75/19/354897519.db2.gz ZUONEYRASWKHNO-ZDUSSCGKSA-N 1 0 304.394 2.182 50 0 DEAARO [NH3+]C[C@@H](C(=O)Nc1ccc2nccnc2c1)c1ccc(F)cc1 ZINC000358766549 540097664 /nfs/dbraw/zinc/09/76/64/540097664.db2.gz GXYSWDQYYNAYKM-CQSZACIVSA-N 1 0 310.332 2.450 50 0 DEAARO C[C@@H]1CCSCCN1C[C@@H](O)C[N@@H+]1CCSCC[C@@H]1C ZINC000390834607 540135438 /nfs/dbraw/zinc/13/54/38/540135438.db2.gz IBBJUSIRPKMSKD-QDMKHBRRSA-N 1 0 318.552 2.002 50 0 DEAARO FC(F)(F)[C@H]1CCc2nnc(C[NH2+]C3CCSCC3)n2C1 ZINC000089598107 355537689 /nfs/dbraw/zinc/53/76/89/355537689.db2.gz PXIKFVOSKKFXHF-VIFPVBQESA-N 1 0 320.384 2.388 50 0 DEAARO Cc1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C)c3cccnc3)C2)no1 ZINC000095402249 355696876 /nfs/dbraw/zinc/69/68/76/355696876.db2.gz XMEVWTMKYQGCME-WFASDCNBSA-N 1 0 301.394 2.040 50 0 DEAARO CC(C)C[NH+]1CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1 ZINC000097939037 355705875 /nfs/dbraw/zinc/70/58/75/355705875.db2.gz UVKGGTRMROAJLP-UHFFFAOYSA-N 1 0 320.824 2.402 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000106661331 355724323 /nfs/dbraw/zinc/72/43/23/355724323.db2.gz ALSHSQZXEMQYNU-DLBZAZTESA-N 1 0 318.417 2.403 50 0 DEAARO CC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccccc1OC ZINC000170129127 355986032 /nfs/dbraw/zinc/98/60/32/355986032.db2.gz FGUXCCHSRLYAKX-HNNXBMFYSA-N 1 0 320.433 2.455 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cc3cc(F)ccc3s2)C1 ZINC000191901441 356219766 /nfs/dbraw/zinc/21/97/66/356219766.db2.gz ZDNPDNUXIMIJIG-WCQYABFASA-N 1 0 308.378 2.034 50 0 DEAARO Cc1cc(C)n(CC2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000195560505 356257215 /nfs/dbraw/zinc/25/72/15/356257215.db2.gz IVJXFXAKSABSMJ-IRXDYDNUSA-N 1 0 318.465 2.256 50 0 DEAARO C[C@@H]1C[C@@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C(=O)O1 ZINC000229830677 356282184 /nfs/dbraw/zinc/28/21/84/356282184.db2.gz AJQWXIXZQVEIPX-FXPVBKGRSA-N 1 0 317.311 2.312 50 0 DEAARO CC(=O)N(C)CCc1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000350591249 356547886 /nfs/dbraw/zinc/54/78/86/356547886.db2.gz WHNGVVVLJAVUAZ-AWEZNQCLSA-N 1 0 306.410 2.170 50 0 DEAARO COc1ccccc1OCCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237141370 202165261 /nfs/dbraw/zinc/16/52/61/202165261.db2.gz VZVQZMHUUZYWKE-UONOGXRCSA-N 1 0 306.406 2.050 50 0 DEAARO CCc1nc(CC[NH2+][C@H]2CCc3ccc(OC)cc3C2)no1 ZINC000584891204 357326859 /nfs/dbraw/zinc/32/68/59/357326859.db2.gz BMPZNOCZEATQFW-AWEZNQCLSA-N 1 0 301.390 2.330 50 0 DEAARO OCC1(C[NH2+]C2CCN(c3ccccc3F)CC2)CCOCC1 ZINC000584891632 357327003 /nfs/dbraw/zinc/32/70/03/357327003.db2.gz LKYXGLLEHPKXFE-UHFFFAOYSA-N 1 0 322.424 2.173 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)C1 ZINC000584896120 357328805 /nfs/dbraw/zinc/32/88/05/357328805.db2.gz NRQSGUUXZIBJJT-GFCCVEGCSA-N 1 0 302.378 2.192 50 0 DEAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000584895625 357328948 /nfs/dbraw/zinc/32/89/48/357328948.db2.gz SREOIQHLKOKGAE-ZIAGYGMSSA-N 1 0 314.788 2.457 50 0 DEAARO CC(=O)N1CCC([NH2+]Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000585140377 357338304 /nfs/dbraw/zinc/33/83/04/357338304.db2.gz ZWEOIQSTHMHIGX-UHFFFAOYSA-N 1 0 304.510 2.332 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2occc2Br)C1 ZINC000237315251 202228021 /nfs/dbraw/zinc/22/80/21/202228021.db2.gz LCAWULNTDJMKSV-SECBINFHSA-N 1 0 301.184 2.114 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000237359436 202243926 /nfs/dbraw/zinc/24/39/26/202243926.db2.gz VAORDXACZLLIBD-UHFFFAOYSA-N 1 0 316.854 2.269 50 0 DEAARO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237433112 202264450 /nfs/dbraw/zinc/26/44/50/202264450.db2.gz RRSKRWJWRJRGCQ-QAPCUYQASA-N 1 0 311.429 2.151 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)[C@H]1C[NH3+] ZINC000237430037 202264349 /nfs/dbraw/zinc/26/43/49/202264349.db2.gz NKUHRIJPJKYWSE-MFKMUULPSA-N 1 0 304.419 2.338 50 0 DEAARO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000188444464 200247587 /nfs/dbraw/zinc/24/75/87/200247587.db2.gz BNFQBEOEZRWPEC-LLVKDONJSA-N 1 0 318.808 2.174 50 0 DEAARO C[NH+](C)CCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000189093726 200347471 /nfs/dbraw/zinc/34/74/71/200347471.db2.gz XUPOAIPHXUCLDF-UHFFFAOYSA-N 1 0 322.153 2.410 50 0 DEAARO COc1cccc([C@H]2CC[N@H+](CCc3nccn3C)C2)c1OC ZINC000670446514 540934607 /nfs/dbraw/zinc/93/46/07/540934607.db2.gz UYZCBZXTTFEMHN-AWEZNQCLSA-N 1 0 315.417 2.469 50 0 DEAARO COCc1nc([C@@H]2CCC[N@H+](C)C2)n(-c2ccccc2F)n1 ZINC000670453632 540935646 /nfs/dbraw/zinc/93/56/46/540935646.db2.gz SSOGNODYEOEZPV-GFCCVEGCSA-N 1 0 304.369 2.362 50 0 DEAARO Fc1ccc(N2CC[C@H]([NH+]3CCC(c4nnc[nH]4)CC3)C2)cc1 ZINC000670468595 540938315 /nfs/dbraw/zinc/93/83/15/540938315.db2.gz LDTMYDBXAGDHQX-INIZCTEOSA-N 1 0 315.396 2.402 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(O)c1 ZINC000193723390 201111021 /nfs/dbraw/zinc/11/10/21/201111021.db2.gz PKTIPGPPXXDIBK-ZIAGYGMSSA-N 1 0 305.422 2.312 50 0 DEAARO C=Cn1cc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 ZINC000194318152 201200984 /nfs/dbraw/zinc/20/09/84/201200984.db2.gz TYWAIWXSPAQGAF-QAPCUYQASA-N 1 0 311.433 2.379 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000006652543 181366136 /nfs/dbraw/zinc/36/61/36/181366136.db2.gz YKRAABAPDCGJQT-HNNXBMFYSA-N 1 0 310.463 2.374 50 0 DEAARO Cc1ccsc1[C@@H](Cn1cc(-c2nccn2C)nn1)[NH+](C)C ZINC000091325805 193040460 /nfs/dbraw/zinc/04/04/60/193040460.db2.gz CWZUFGZXYGQAAA-CYBMUJFWSA-N 1 0 316.434 2.351 50 0 DEAARO COCc1cccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)c1 ZINC000091391117 193049677 /nfs/dbraw/zinc/04/96/77/193049677.db2.gz LSYMJQRXLPYYCX-SJORKVTESA-N 1 0 302.418 2.245 50 0 DEAARO C[NH2+]CC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000091526648 193069883 /nfs/dbraw/zinc/06/98/83/193069883.db2.gz JGGHBQXHYFJHFO-HNNXBMFYSA-N 1 0 312.417 2.202 50 0 DEAARO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000091496890 193064126 /nfs/dbraw/zinc/06/41/26/193064126.db2.gz PSUSVKLYDMHRGI-MWLCHTKSSA-N 1 0 322.352 2.124 50 0 DEAARO C[NH+](C)[C@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1C1CC1 ZINC000091663978 193087254 /nfs/dbraw/zinc/08/72/54/193087254.db2.gz UEPJZTNRAIRXGI-SJORKVTESA-N 1 0 302.418 2.002 50 0 DEAARO CC(C)=CC[C@]1(CO)CCC[N@H+](CCC(=O)N2CCCC2)C1 ZINC000091859224 193118991 /nfs/dbraw/zinc/11/89/91/193118991.db2.gz YPGKFXVQXXYPBP-GOSISDBHSA-N 1 0 308.466 2.430 50 0 DEAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000092096433 193155691 /nfs/dbraw/zinc/15/56/91/193155691.db2.gz NFPTVGPCPFUSFP-NUJGCVRESA-N 1 0 303.402 2.390 50 0 DEAARO C[C@H](C(=O)NCCCOC1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000223626506 201651183 /nfs/dbraw/zinc/65/11/83/201651183.db2.gz NYPRADAAGCAPIB-AWEZNQCLSA-N 1 0 320.433 2.113 50 0 DEAARO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc2ccccc2c1 ZINC000093873712 193322203 /nfs/dbraw/zinc/32/22/03/193322203.db2.gz QKLORNWDDWJWPW-UHFFFAOYSA-N 1 0 306.431 2.445 50 0 DEAARO CC(C)Cn1ccnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1=O ZINC000094163630 193347079 /nfs/dbraw/zinc/34/70/79/193347079.db2.gz JLYKZZQXDSAJGQ-MRXNPFEDSA-N 1 0 318.465 2.354 50 0 DEAARO c1c(-c2cncnc2)nnn1Cc1cccc(C[NH+]2CCCC2)c1 ZINC000095352242 193425911 /nfs/dbraw/zinc/42/59/11/193425911.db2.gz WHIXUFNEMUHNQU-UHFFFAOYSA-N 1 0 320.400 2.379 50 0 DEAARO c1nc2c([nH]1)CN(C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000095358706 193429549 /nfs/dbraw/zinc/42/95/49/193429549.db2.gz ASLXCOIXLRDQEA-UHFFFAOYSA-N 1 0 310.445 2.475 50 0 DEAARO C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)C1(C)CC[NH2+]CC1 ZINC000096139636 193550064 /nfs/dbraw/zinc/55/00/64/193550064.db2.gz YWOGWLJFVCJXCG-AWEZNQCLSA-N 1 0 303.450 2.190 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000019790341 182149388 /nfs/dbraw/zinc/14/93/88/182149388.db2.gz HRXAKXDRGQGSRX-QGZVFWFLSA-N 1 0 320.477 2.496 50 0 DEAARO Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000019871772 182158769 /nfs/dbraw/zinc/15/87/69/182158769.db2.gz RXLODOVPUYVQTF-UHFFFAOYSA-N 1 0 310.444 2.036 50 0 DEAARO CC[NH+]1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000019889754 182160936 /nfs/dbraw/zinc/16/09/36/182160936.db2.gz FCRIYCGQGOJUAY-UHFFFAOYSA-N 1 0 301.434 2.141 50 0 DEAARO COCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000020100425 182186731 /nfs/dbraw/zinc/18/67/31/182186731.db2.gz RSWUOPHZFQQHDM-UHFFFAOYSA-N 1 0 304.434 2.360 50 0 DEAARO Cn1cncc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000020204246 182197399 /nfs/dbraw/zinc/19/73/99/182197399.db2.gz JABRBOZDPKMLAL-INIZCTEOSA-N 1 0 312.417 2.062 50 0 DEAARO O=C(Cc1cccc(O)c1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020600811 182236445 /nfs/dbraw/zinc/23/64/45/182236445.db2.gz OWRONWWEJNQPGM-INIZCTEOSA-N 1 0 302.418 2.269 50 0 DEAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c1 ZINC000020906357 182253398 /nfs/dbraw/zinc/25/33/98/182253398.db2.gz RAHDAAOQPFBMSY-MRXNPFEDSA-N 1 0 312.417 2.496 50 0 DEAARO c1nc(N2CCCC2)sc1CN1CC([NH+]2CCCCC2)C1 ZINC000097773166 193755859 /nfs/dbraw/zinc/75/58/59/193755859.db2.gz ZQGCECHKXOSUKJ-UHFFFAOYSA-N 1 0 306.479 2.413 50 0 DEAARO O=c1oc2ccccc2n1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000021319145 182271161 /nfs/dbraw/zinc/27/11/61/182271161.db2.gz CWPATHSXZJYEBS-UHFFFAOYSA-N 1 0 323.396 2.370 50 0 DEAARO NC(=O)c1cccnc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000022977034 182344006 /nfs/dbraw/zinc/34/40/06/182344006.db2.gz KKASGDYCLADPOE-AWEZNQCLSA-N 1 0 314.389 2.413 50 0 DEAARO COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012377864 284566365 /nfs/dbraw/zinc/56/63/65/284566365.db2.gz ZXBYFFLADVVWFF-IIAWOOMASA-N 1 0 321.417 2.191 50 0 DEAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000040059768 183030888 /nfs/dbraw/zinc/03/08/88/183030888.db2.gz CPVBODLLORSYKV-UHFFFAOYSA-N 1 0 322.405 2.165 50 0 DEAARO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040153163 183039961 /nfs/dbraw/zinc/03/99/61/183039961.db2.gz XYSJOSYXJUHLKE-NSHDSACASA-N 1 0 324.808 2.212 50 0 DEAARO COc1ccc(C[N@H+](CCCn2cncn2)C2CC2)c(OC)c1 ZINC000040127635 183038703 /nfs/dbraw/zinc/03/87/03/183038703.db2.gz FPRKLGHZYVMWMT-UHFFFAOYSA-N 1 0 316.405 2.350 50 0 DEAARO COc1ccc(C(=O)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000040465429 183071966 /nfs/dbraw/zinc/07/19/66/183071966.db2.gz CGXHLVCAGHQRFI-UHFFFAOYSA-N 1 0 306.406 2.310 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 ZINC000040500867 183083770 /nfs/dbraw/zinc/08/37/70/183083770.db2.gz OUIUZHJXZURNDK-HOCLYGCPSA-N 1 0 316.426 2.471 50 0 DEAARO COc1cc(/C=C\C(=O)N2CC[NH2+][C@@H](C)C2)cc(Cl)c1OC ZINC000493749329 249384865 /nfs/dbraw/zinc/38/48/65/249384865.db2.gz RZTWUNXLLVBSPQ-WYGGZMRJSA-N 1 0 324.808 2.191 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C(C)C)C[C@H]2CCO)cc1C ZINC000104461643 194009215 /nfs/dbraw/zinc/00/92/15/194009215.db2.gz AJHSBYVYXWSFTC-QGZVFWFLSA-N 1 0 306.450 2.281 50 0 DEAARO O=C(C[C@H]1CCCO1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058160369 184082057 /nfs/dbraw/zinc/08/20/57/184082057.db2.gz VDSJSJDATMANRJ-MRXNPFEDSA-N 1 0 320.408 2.475 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)ccc2C)C1 ZINC000058162106 184082577 /nfs/dbraw/zinc/08/25/77/184082577.db2.gz XSTSSAAZVSXFDV-CYBMUJFWSA-N 1 0 314.426 2.144 50 0 DEAARO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccccc2)cn1 ZINC000058356749 184108150 /nfs/dbraw/zinc/10/81/50/184108150.db2.gz VOQWNIJKMRAUEM-UHFFFAOYSA-N 1 0 300.406 2.361 50 0 DEAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000058282492 184099901 /nfs/dbraw/zinc/09/99/01/184099901.db2.gz BREHEIBQSLBHMV-AWEZNQCLSA-N 1 0 318.417 2.257 50 0 DEAARO COc1ccc([C@H](C)[NH2+]C[C@H]2CNc3ccnn3C2)c(OC)c1 ZINC000058312060 184104423 /nfs/dbraw/zinc/10/44/23/184104423.db2.gz ALJBSDIEGAYEIP-STQMWFEESA-N 1 0 316.405 2.293 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000058405633 184113542 /nfs/dbraw/zinc/11/35/42/184113542.db2.gz HDAITGTWJXXDKX-CVEARBPZSA-N 1 0 310.397 2.433 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)NCCC(=O)N(C)C)cc1)C(C)C ZINC000058406935 184114231 /nfs/dbraw/zinc/11/42/31/184114231.db2.gz FOPNKWFIMPQTSW-UHFFFAOYSA-N 1 0 319.449 2.125 50 0 DEAARO C[NH+](C)CCn1cc(C(=O)NCC(F)(F)F)c2ccccc21 ZINC000058424141 184116637 /nfs/dbraw/zinc/11/66/37/184116637.db2.gz CPHGXMSGZDJVBH-UHFFFAOYSA-N 1 0 313.323 2.495 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000058433561 184118523 /nfs/dbraw/zinc/11/85/23/184118523.db2.gz XKLUQUCHQKKTJC-UHFFFAOYSA-N 1 0 324.432 2.270 50 0 DEAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc2c(c1)OCCO2 ZINC000062001557 184200293 /nfs/dbraw/zinc/20/02/93/184200293.db2.gz AAOCWUAGGVVIAJ-PKOBYXMFSA-N 1 0 322.364 2.382 50 0 biogenic DEAARO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCC[NH+](C)C ZINC000065171104 184313691 /nfs/dbraw/zinc/31/36/91/184313691.db2.gz HWZVSCGIEBQBNU-UHFFFAOYSA-N 1 0 314.433 2.100 50 0 DEAARO COc1ccc(C[NH2+]CCC(=O)Nc2cccnc2)c(F)c1F ZINC000065430452 184343337 /nfs/dbraw/zinc/34/33/37/184343337.db2.gz ULOFKBKXQQRSFI-UHFFFAOYSA-N 1 0 321.327 2.487 50 0 DEAARO Cc1ccc(NCCCNC(=O)C2CC[NH+](C(C)C)CC2)nc1 ZINC000065452163 184346853 /nfs/dbraw/zinc/34/68/53/184346853.db2.gz FZGJUSVQCQHCRH-UHFFFAOYSA-N 1 0 318.465 2.429 50 0 DEAARO Cc1nc2c(c(N(C)CCC[C@@H]3CCCO3)n1)CC[N@H+](C)CC2 ZINC000065463784 184349634 /nfs/dbraw/zinc/34/96/34/184349634.db2.gz XKNMRHFGYIRRQG-OAHLLOKOSA-N 1 0 318.465 2.211 50 0 DEAARO Cc1ccccc1NCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000065466384 184349948 /nfs/dbraw/zinc/34/99/48/184349948.db2.gz KBXQBLGRPLGCGA-UHFFFAOYSA-N 1 0 301.434 2.351 50 0 DEAARO CC(=O)N1CCC([NH2+]Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC000065397428 184336095 /nfs/dbraw/zinc/33/60/95/184336095.db2.gz MLCKETVQHOIZQO-UHFFFAOYSA-N 1 0 312.417 2.281 50 0 DEAARO c1[nH]nnc1SCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000065398886 184336375 /nfs/dbraw/zinc/33/63/75/184336375.db2.gz XQYCQABTLYEKGX-UHFFFAOYSA-N 1 0 317.462 2.151 50 0 DEAARO CCn1ccnc1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000065405269 184337955 /nfs/dbraw/zinc/33/79/55/184337955.db2.gz QKWBGMQXTIXPTP-UHFFFAOYSA-N 1 0 310.445 2.188 50 0 DEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000065611157 184373092 /nfs/dbraw/zinc/37/30/92/184373092.db2.gz DTEFQTOAAVYSIG-LBPRGKRZSA-N 1 0 319.232 2.422 50 0 DEAARO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1cccc(F)c1 ZINC000065589541 184369549 /nfs/dbraw/zinc/36/95/49/184369549.db2.gz DBFFHZLHORNKBR-QGZVFWFLSA-N 1 0 303.381 2.468 50 0 DEAARO [NH3+]C[C@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495826 184354916 /nfs/dbraw/zinc/35/49/16/184354916.db2.gz PXIQSGDGQYTMDE-SNVBAGLBSA-N 1 0 300.859 2.177 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000066126772 184391486 /nfs/dbraw/zinc/39/14/86/184391486.db2.gz IBDDWLVEFJPPNS-GFCCVEGCSA-N 1 0 317.437 2.045 50 0 DEAARO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H]3CC[NH2+]C3)[C@H](C)CO2)c1 ZINC000269228410 207350074 /nfs/dbraw/zinc/35/00/74/207350074.db2.gz GPAGGVNJPACLKI-INMHGKMJSA-N 1 0 302.418 2.201 50 0 DEAARO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236934492 285102287 /nfs/dbraw/zinc/10/22/87/285102287.db2.gz PHEFEDONFWUNPU-KBPBESRZSA-N 1 0 306.406 2.180 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(N(C)C)c1 ZINC000073941847 285258276 /nfs/dbraw/zinc/25/82/76/285258276.db2.gz AQGYZUUWGPZPFC-MRXNPFEDSA-N 1 0 304.438 2.036 50 0 DEAARO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152894353 196833243 /nfs/dbraw/zinc/83/32/43/196833243.db2.gz FMZFHLTYTCVINS-VXGBXAGGSA-N 1 0 307.463 2.465 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237108479 257239185 /nfs/dbraw/zinc/23/91/85/257239185.db2.gz KCUBAKLOSTWGAT-UONOGXRCSA-N 1 0 306.406 2.111 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000334160489 257262765 /nfs/dbraw/zinc/26/27/65/257262765.db2.gz FVBNVOMBGIVTTP-CZUORRHYSA-N 1 0 316.449 2.235 50 0 DEAARO CCOc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000121934383 195377932 /nfs/dbraw/zinc/37/79/32/195377932.db2.gz KVZFCCHBGKOULB-TZMCWYRMSA-N 1 0 306.406 2.436 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000126013835 195801924 /nfs/dbraw/zinc/80/19/24/195801924.db2.gz XTKDSRPWSOBLTN-NSHDSACASA-N 1 0 319.792 2.358 50 0 DEAARO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000079440479 296460378 /nfs/dbraw/zinc/46/03/78/296460378.db2.gz BAVDVGXKCOYALX-SECBINFHSA-N 1 0 309.218 2.024 50 0 DEAARO C[C@@H]1CCC[C@](CNC(=O)N2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000131783498 296492539 /nfs/dbraw/zinc/49/25/39/296492539.db2.gz BTWQPFCLROULFB-PBHICJAKSA-N 1 0 311.470 2.317 50 0 DEAARO CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CO1 ZINC000563585660 292063950 /nfs/dbraw/zinc/06/39/50/292063950.db2.gz SPRXRZTVHWJRGQ-HZPDHXFCSA-N 1 0 317.433 2.116 50 0 DEAARO CCc1nnc(C2CCN(C(=O)c3ccc4nccn4c3)CC2)[nH]1 ZINC000191495125 145059734 /nfs/dbraw/zinc/05/97/34/145059734.db2.gz IAXCGYFMLPOIBD-UHFFFAOYSA-N 1 0 324.388 2.035 50 0 DEAARO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CC=CCC3)c2)CC1 ZINC000073826635 401722993 /nfs/dbraw/zinc/72/29/93/401722993.db2.gz PGLWYMWNEDXGIR-SFHVURJKSA-N 1 0 313.445 2.273 50 0 DEAARO C[C@H]1CN(c2nc(N3CCCC3)nc3ccccc32)C[C@H](C)[NH2+]1 ZINC000004727692 401727386 /nfs/dbraw/zinc/72/73/86/401727386.db2.gz JRUDQZFHFOWAFQ-KBPBESRZSA-N 1 0 311.433 2.417 50 0 DEAARO COC(=O)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000005986099 401730864 /nfs/dbraw/zinc/73/08/64/401730864.db2.gz KSGMHHIJFZWFEJ-AWEZNQCLSA-N 1 0 321.340 2.110 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000007166308 401737472 /nfs/dbraw/zinc/73/74/72/401737472.db2.gz HEAHKKGIIAKUTB-HOTGVXAUSA-N 1 0 321.417 2.010 50 0 DEAARO CC(=O)NCC[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000007736201 401743352 /nfs/dbraw/zinc/74/33/52/401743352.db2.gz ZZZAWPPAJACRPF-UHFFFAOYSA-N 1 0 319.430 2.256 50 0 DEAARO CCC[N@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000000084397 401687903 /nfs/dbraw/zinc/68/79/03/401687903.db2.gz SIJCBYFSGSIBLU-MRXNPFEDSA-N 1 0 316.401 2.449 50 0 DEAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000100392 401687955 /nfs/dbraw/zinc/68/79/55/401687955.db2.gz KBCFFMDJDDBDJN-MRXNPFEDSA-N 1 0 310.353 2.117 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1csc(C)n1 ZINC000071870452 401689676 /nfs/dbraw/zinc/68/96/76/401689676.db2.gz LYOFLFKQJNEIMD-GJZGRUSLSA-N 1 0 307.463 2.469 50 0 DEAARO C[N@H+](CCCc1nc2ccccc2o1)C[C@@H]1CCS(=O)(=O)C1 ZINC000071920956 401697405 /nfs/dbraw/zinc/69/74/05/401697405.db2.gz ABHIVGUNXIHPRS-ZDUSSCGKSA-N 1 0 322.430 2.127 50 0 DEAARO Cc1cc([C@H](C)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000072269025 401704696 /nfs/dbraw/zinc/70/46/96/401704696.db2.gz CSVXDDIUCOXBNB-XKQJLSEDSA-N 1 0 320.433 2.058 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccsc1)[C@@H](C)n1cccn1 ZINC000072269766 401705162 /nfs/dbraw/zinc/70/51/62/401705162.db2.gz PUFDECPXYUAXHS-CHWSQXEVSA-N 1 0 306.435 2.142 50 0 DEAARO CC1CCN(C(=O)[C@H]2CCC[N@H+](CCCc3cn[nH]c3)C2)CC1 ZINC000072635983 401711044 /nfs/dbraw/zinc/71/10/44/401711044.db2.gz KPWUFVDGPRYYJY-KRWDZBQOSA-N 1 0 318.465 2.313 50 0 DEAARO COC[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000002639632 401716097 /nfs/dbraw/zinc/71/60/97/401716097.db2.gz RXUYMXCFIDSZAZ-ONGXEEELSA-N 1 0 308.205 2.358 50 0 DEAARO O=C(Nc1ccc(SCC[NH+]2CCCCC2)nn1)C1CC1 ZINC000013702005 401803234 /nfs/dbraw/zinc/80/32/34/401803234.db2.gz BFZFQEKESBJNCP-UHFFFAOYSA-N 1 0 306.435 2.403 50 0 DEAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008307317 401751277 /nfs/dbraw/zinc/75/12/77/401751277.db2.gz FKRQMCOSLYAQKU-TUAOUCFPSA-N 1 0 316.405 2.161 50 0 DEAARO OC1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000112717241 401755940 /nfs/dbraw/zinc/75/59/40/401755940.db2.gz SZTLHMZSNQKUDF-UHFFFAOYSA-N 1 0 305.296 2.216 50 0 DEAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1cnccn1 ZINC000011954968 401778114 /nfs/dbraw/zinc/77/81/14/401778114.db2.gz AMWNWHRYVHTPKX-QGZVFWFLSA-N 1 0 324.428 2.304 50 0 DEAARO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCO1 ZINC000076084788 401781849 /nfs/dbraw/zinc/78/18/49/401781849.db2.gz MEESYWPMEFQOTO-IMJJTQAJSA-N 1 0 309.454 2.118 50 0 DEAARO CC[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000012300942 401782962 /nfs/dbraw/zinc/78/29/62/401782962.db2.gz BMQPIEQJZNSSNQ-GOSISDBHSA-N 1 0 304.434 2.273 50 0 DEAARO CN1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)CC1 ZINC000012481451 401786239 /nfs/dbraw/zinc/78/62/39/401786239.db2.gz SOUVBDCCKYFIKY-LJQANCHMSA-N 1 0 319.493 2.195 50 0 DEAARO C[C@H](O)C[NH2+]CCNCc1cccc(OCc2ccccc2)c1 ZINC000020550776 401824593 /nfs/dbraw/zinc/82/45/93/401824593.db2.gz FDEWRGGYIHQGCH-INIZCTEOSA-N 1 0 314.429 2.326 50 0 DEAARO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccccc1)N1CCc2ccccc21 ZINC000027014473 401843477 /nfs/dbraw/zinc/84/34/77/401843477.db2.gz YDOZOOHBSMWARS-KSSFIOAISA-N 1 0 309.413 2.254 50 0 DEAARO CCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793243 401847332 /nfs/dbraw/zinc/84/73/32/401847332.db2.gz JSTWONIQYWUMJY-HNNXBMFYSA-N 1 0 309.841 2.155 50 0 DEAARO CC[N@@H+]1CC[C@@H](N(C)c2ncc(Br)cn2)[C@H](C)C1 ZINC000078332790 401847481 /nfs/dbraw/zinc/84/74/81/401847481.db2.gz XACZYYVGJUCUPY-ZYHUDNBSSA-N 1 0 313.243 2.406 50 0 DEAARO COC(=O)CCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000078761595 401864535 /nfs/dbraw/zinc/86/45/35/401864535.db2.gz HYZTZPCXLVRMCU-UHFFFAOYSA-N 1 0 310.438 2.101 50 0 DEAARO Cc1c(C[NH2+]CC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000030663856 401864928 /nfs/dbraw/zinc/86/49/28/401864928.db2.gz UKPFLHVWOLNMDL-MRXNPFEDSA-N 1 0 315.417 2.143 50 0 DEAARO CCCCOCCOCC[NH2+]CCOCCOCCCC ZINC000030836381 401866016 /nfs/dbraw/zinc/86/60/16/401866016.db2.gz MUTJPUHESFEGIZ-UHFFFAOYSA-N 1 0 305.459 2.243 50 0 DEAARO Cc1cnc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000040461947 401925087 /nfs/dbraw/zinc/92/50/87/401925087.db2.gz HBMPGADXKAVJNH-AWEZNQCLSA-N 1 0 316.430 2.413 50 0 DEAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H]1NC(C)=NO1 ZINC000032617171 401880274 /nfs/dbraw/zinc/88/02/74/401880274.db2.gz KKTBUZBHWXXRFL-QGZVFWFLSA-N 1 0 319.405 2.386 50 0 DEAARO CN1CC[N@H+](CCCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1 ZINC000033135269 401889124 /nfs/dbraw/zinc/88/91/24/401889124.db2.gz CGNYIONDJISFNZ-GOSISDBHSA-N 1 0 315.461 2.282 50 0 DEAARO CN(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000034805120 401894030 /nfs/dbraw/zinc/89/40/30/401894030.db2.gz AXQOSPWMOKMYSB-QGZVFWFLSA-N 1 0 301.434 2.453 50 0 DEAARO O=C(c1ccc(F)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103390 401902734 /nfs/dbraw/zinc/90/27/34/401902734.db2.gz NUPSHTOKNYPPSB-UHFFFAOYSA-N 1 0 306.381 2.010 50 0 DEAARO C[NH+](C)CCNC(=O)c1cncc(-c2cc(F)cc(F)c2)c1 ZINC000036349018 401904276 /nfs/dbraw/zinc/90/42/76/401904276.db2.gz PEJGFQNJXDRMIS-UHFFFAOYSA-N 1 0 305.328 2.318 50 0 DEAARO CC(C)CC1(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CCCC1 ZINC000084510071 401906292 /nfs/dbraw/zinc/90/62/92/401906292.db2.gz IANJMHPKRITLJG-INIZCTEOSA-N 1 0 324.513 2.138 50 0 DEAARO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC(CO)CC2)[C@@H]1C ZINC000084689747 401908937 /nfs/dbraw/zinc/90/89/37/401908937.db2.gz PLTHGFSEVINJMY-AXRJEEMOSA-N 1 0 310.482 2.410 50 0 DEAARO CC(C)NC(=O)C[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000037117575 401910829 /nfs/dbraw/zinc/91/08/29/401910829.db2.gz JTXMPVCHGLJVLM-UHFFFAOYSA-N 1 0 322.434 2.187 50 0 DEAARO COCC[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000085468039 401916763 /nfs/dbraw/zinc/91/67/63/401916763.db2.gz VJQSGZBNNFXPQO-UHFFFAOYSA-N 1 0 302.827 2.242 50 0 DEAARO Cc1ncn(C[C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1C ZINC000089547591 401952052 /nfs/dbraw/zinc/95/20/52/401952052.db2.gz CXOKLDUGMJCSCT-IUODEOHRSA-N 1 0 301.390 2.318 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1csc2c1CCCC2 ZINC000044952657 401952091 /nfs/dbraw/zinc/95/20/91/401952091.db2.gz NKFOVDXFIUVGEL-UHFFFAOYSA-N 1 0 322.474 2.469 50 0 DEAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cnc(N(C)C)s1)CCC2 ZINC000089702143 401957980 /nfs/dbraw/zinc/95/79/80/401957980.db2.gz XEGIVEMDVXIKIC-GFCCVEGCSA-N 1 0 305.451 2.381 50 0 DEAARO CCCCCC[N@@H+]1CCC[C@@H](Cn2cc(CCCO)nn2)C1 ZINC000048302717 401997900 /nfs/dbraw/zinc/99/79/00/401997900.db2.gz HPOOZSMLDHOXSL-MRXNPFEDSA-N 1 0 308.470 2.495 50 0 DEAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H](C)C1 ZINC000089937601 401975061 /nfs/dbraw/zinc/97/50/61/401975061.db2.gz IRMACDRYYWIIHA-CZUORRHYSA-N 1 0 318.417 2.194 50 0 DEAARO O=C(c1c(F)cccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047386772 401981572 /nfs/dbraw/zinc/98/15/72/401981572.db2.gz OTUBRWKJXVLLLP-UHFFFAOYSA-N 1 0 324.371 2.149 50 0 DEAARO COC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048374205 401999625 /nfs/dbraw/zinc/99/96/25/401999625.db2.gz PHKZAIMSBHKCFW-CYBMUJFWSA-N 1 0 319.405 2.327 50 0 DEAARO O=C(NCc1cccnc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048234323 401995828 /nfs/dbraw/zinc/99/58/28/401995828.db2.gz PXCSALBRMFGHDF-HNNXBMFYSA-N 1 0 314.389 2.311 50 0 DEAARO COCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000089409999 401945282 /nfs/dbraw/zinc/94/52/82/401945282.db2.gz 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C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000053573800 402057585 /nfs/dbraw/zinc/05/75/85/402057585.db2.gz DRRULCPKFTXINA-MGPQQGTHSA-N 1 0 314.437 2.205 50 0 DEAARO COC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048374206 401999637 /nfs/dbraw/zinc/99/96/37/401999637.db2.gz PHKZAIMSBHKCFW-ZDUSSCGKSA-N 1 0 319.405 2.327 50 0 DEAARO O=C(c1cccnn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091998110 402000041 /nfs/dbraw/zinc/00/00/41/402000041.db2.gz AQFSSTQIBROQAV-DLBZAZTESA-N 1 0 322.412 2.213 50 0 DEAARO CC(C)N(Cc1ccccc1Cl)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000055243753 402078220 /nfs/dbraw/zinc/07/82/20/402078220.db2.gz IICXDFJXQVKROF-CQSZACIVSA-N 1 0 310.825 2.456 50 0 DEAARO COc1cccc(CCC[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000096424170 402083419 /nfs/dbraw/zinc/08/34/19/402083419.db2.gz BIGNDJFYKAPRDH-INIZCTEOSA-N 1 0 304.434 2.428 50 0 DEAARO CCC[NH+]1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000055508752 402083592 /nfs/dbraw/zinc/08/35/92/402083592.db2.gz 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C[C@]1(O)CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C[C@@H]1O ZINC000096150266 402062890 /nfs/dbraw/zinc/06/28/90/402062890.db2.gz NORZGASVBRFXFA-ROUUACIJSA-N 1 0 305.418 2.326 50 0 DEAARO O=C1CCCCCN1CC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000054465557 402068084 /nfs/dbraw/zinc/06/80/84/402068084.db2.gz FWQNLBDTVQMZAW-UHFFFAOYSA-N 1 0 320.824 2.480 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCC(=O)Nc1ccccc1 ZINC000097446924 402125188 /nfs/dbraw/zinc/12/51/88/402125188.db2.gz HDCPCZDDWKIFMQ-OAHLLOKOSA-N 1 0 303.406 2.006 50 0 DEAARO CCn1ccnc1C1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000097463624 402125500 /nfs/dbraw/zinc/12/55/00/402125500.db2.gz UQHXKRMRHUCQKN-MRXNPFEDSA-N 1 0 318.465 2.339 50 0 DEAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[NH2+]CC2)n1 ZINC000097743648 402131431 /nfs/dbraw/zinc/13/14/31/402131431.db2.gz BZPHCJKXEMDNHW-UHFFFAOYSA-N 1 0 302.397 2.424 50 0 DEAARO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000123656332 402140351 /nfs/dbraw/zinc/14/03/51/402140351.db2.gz 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402167281 /nfs/dbraw/zinc/16/72/81/402167281.db2.gz BXJUUIKWYYWNOM-AWEZNQCLSA-N 1 0 320.437 2.323 50 0 DEAARO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000067774803 402172343 /nfs/dbraw/zinc/17/23/43/402172343.db2.gz RSQLFKTWDQKHIF-QGZVFWFLSA-N 1 0 320.481 2.377 50 0 DEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCCC3)cnn2c1 ZINC000067818504 402173777 /nfs/dbraw/zinc/17/37/77/402173777.db2.gz YQOUKAOVZSBRJK-UHFFFAOYSA-N 1 0 315.421 2.197 50 0 DEAARO COc1ccc(C[NH+]2CCC(CNC(=O)C3CC3)CC2)cc1O ZINC000067834164 402174307 /nfs/dbraw/zinc/17/43/07/402174307.db2.gz YNTUEHXRACWUHX-UHFFFAOYSA-N 1 0 318.417 2.139 50 0 DEAARO CCc1oc(C(=O)N[C@H](C)c2nc[nH]n2)cc1C[NH+]1CCCC1 ZINC000067843315 402175164 /nfs/dbraw/zinc/17/51/64/402175164.db2.gz XXYIBSOVWRVOKZ-LLVKDONJSA-N 1 0 317.393 2.047 50 0 DEAARO O=C1CNC(=O)N1C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000069132474 402214276 /nfs/dbraw/zinc/21/42/76/402214276.db2.gz KGIWKIRBYSHEJL-ZDUSSCGKSA-N 1 0 307.781 2.029 50 0 DEAARO Cc1sc2nc(NCC[NH+]3CCCC3)n(C)c(=O)c2c1C ZINC000069195217 402215145 /nfs/dbraw/zinc/21/51/45/402215145.db2.gz PBSMSYVKDHNYSF-UHFFFAOYSA-N 1 0 306.435 2.120 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000106840910 402217452 /nfs/dbraw/zinc/21/74/52/402217452.db2.gz BNDPVZPMOIWCMW-GJZGRUSLSA-N 1 0 315.417 2.229 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](c1ccsc1)N(C)C)CN2 ZINC000069348588 402218960 /nfs/dbraw/zinc/21/89/60/402218960.db2.gz IFMMXAOBZOUPNE-UKRRQHHQSA-N 1 0 319.478 2.187 50 0 DEAARO C[C@H](O)C[NH+]1CCC(CNc2ncnc3ccccc32)CC1 ZINC000069368754 402220538 /nfs/dbraw/zinc/22/05/38/402220538.db2.gz RYAJDYXWCXDVEV-ZDUSSCGKSA-N 1 0 300.406 2.135 50 0 DEAARO Cc1cccc(N2CC[NH+](CCCCC(=O)N(C)C)CC2)c1 ZINC000069378961 402221234 /nfs/dbraw/zinc/22/12/34/402221234.db2.gz PMQHFARBWNYHKL-UHFFFAOYSA-N 1 0 303.450 2.376 50 0 DEAARO COCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000069462964 402225518 /nfs/dbraw/zinc/22/55/18/402225518.db2.gz VECHMTGWQSWCBX-UHFFFAOYSA-N 1 0 310.825 2.315 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCOc1ccc(F)cc1 ZINC000107070836 402225597 /nfs/dbraw/zinc/22/55/97/402225597.db2.gz SNLIRKCFALWXBJ-IRXDYDNUSA-N 1 0 322.424 2.126 50 0 DEAARO CCc1noc(CCCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000069512457 402227956 /nfs/dbraw/zinc/22/79/56/402227956.db2.gz PJLJLLKDXAYSKT-ZIAGYGMSSA-N 1 0 320.437 2.040 50 0 DEAARO O=C(COCc1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069531552 402229780 /nfs/dbraw/zinc/22/97/80/402229780.db2.gz UTKJHJDXYPRNJW-CYBMUJFWSA-N 1 0 322.836 2.457 50 0 DEAARO C[C@H]([C@H](C)[NH2+][C@@H](C)C(=O)NCCc1cccs1)n1cccn1 ZINC000069582879 402232206 /nfs/dbraw/zinc/23/22/06/402232206.db2.gz NWNYMNPDCYEOPJ-MELADBBJSA-N 1 0 320.462 2.231 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)n1cc(Cl)cn1 ZINC000069597429 402233571 /nfs/dbraw/zinc/23/35/71/402233571.db2.gz UZRYEBVETVJRMM-ZIAGYGMSSA-N 1 0 324.856 2.357 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(C)(C)n1cc(Cl)cn1 ZINC000069597421 402233924 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CC(C)c1noc(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000069779936 402244536 /nfs/dbraw/zinc/24/45/36/402244536.db2.gz XBDMREVTHXVPPQ-KGLIPLIRSA-N 1 0 320.437 2.211 50 0 DEAARO CC[C@H]1CN(CCCOc2ccccc2)CC[N@@H+]1CCOC ZINC000069840399 402246545 /nfs/dbraw/zinc/24/65/45/402246545.db2.gz GHBOSJZSTPQVJB-KRWDZBQOSA-N 1 0 306.450 2.498 50 0 DEAARO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069976205 402253431 /nfs/dbraw/zinc/25/34/31/402253431.db2.gz ORCBIPLIKSHRLS-HNNXBMFYSA-N 1 0 308.389 2.081 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2cccc(C)c2)C[C@@H]1C ZINC000070020675 402255620 /nfs/dbraw/zinc/25/56/20/402255620.db2.gz VNJXLQXYMRDIMV-KRWDZBQOSA-N 1 0 306.450 2.416 50 0 DEAARO O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000225573525 402321707 /nfs/dbraw/zinc/32/17/07/402321707.db2.gz CGUAMRYBWBCLBA-LLVKDONJSA-N 1 0 310.385 2.415 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000070876829 402266298 /nfs/dbraw/zinc/26/62/98/402266298.db2.gz 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C[C@H](O)c1cc2n(n1)CCCN(CC(C)(C)[NH+]1CCCCC1)C2 ZINC000219024723 402297167 /nfs/dbraw/zinc/29/71/67/402297167.db2.gz LHOHZYNIQSFXKK-HNNXBMFYSA-N 1 0 320.481 2.407 50 0 DEAARO CN(Cc1ccc2c(c1)OCO2)c1cc(C2CC([NH3+])C2)ncn1 ZINC000219125296 402298015 /nfs/dbraw/zinc/29/80/15/402298015.db2.gz MUZSAFMUQRDWTL-UHFFFAOYSA-N 1 0 312.373 2.046 50 0 DEAARO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)n1 ZINC000222133160 402305777 /nfs/dbraw/zinc/30/57/77/402305777.db2.gz NEFITRBOSXECHC-UKRRQHHQSA-N 1 0 305.353 2.430 50 0 DEAARO C[C@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000225408746 402316624 /nfs/dbraw/zinc/31/66/24/402316624.db2.gz UQRXVNZTYCMIHT-RYUDHWBXSA-N 1 0 308.426 2.326 50 0 DEAARO CS(=O)(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000225419128 402317426 /nfs/dbraw/zinc/31/74/26/402317426.db2.gz LNVDHENNANKBPO-HNNXBMFYSA-N 1 0 302.484 2.361 50 0 DEAARO CC1(C)[C@H]([NH2+]CCC(=O)NCc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000230092195 402347233 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ZINC000186956048 402473901 /nfs/dbraw/zinc/47/39/01/402473901.db2.gz TXNAFUVBKYJCLP-HNNXBMFYSA-N 1 0 302.349 2.366 50 0 DEAARO CC(=O)NC1CCC([NH2+]CCc2nn(C)c3ccccc23)CC1 ZINC000187567980 402504871 /nfs/dbraw/zinc/50/48/71/402504871.db2.gz BLSTZOKZQHBDHP-UHFFFAOYSA-N 1 0 314.433 2.153 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000178582816 402514255 /nfs/dbraw/zinc/51/42/55/402514255.db2.gz QOGOQWHGRAXGIO-ZDUSSCGKSA-N 1 0 322.836 2.195 50 0 DEAARO C[C@@H]1COCCN1CCSc1nnc(C2CC2)n1C1CC1 ZINC000170605552 402507176 /nfs/dbraw/zinc/50/71/76/402507176.db2.gz GVBHXBUSHIRFRY-LLVKDONJSA-N 1 0 308.451 2.303 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000178997843 402563475 /nfs/dbraw/zinc/56/34/75/402563475.db2.gz RXUYSOAXLMPOSH-NSHDSACASA-N 1 0 314.788 2.316 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179007382 402564113 /nfs/dbraw/zinc/56/41/13/402564113.db2.gz ICOPBLFFLOCGJY-LBPRGKRZSA-N 1 0 318.808 2.207 50 0 DEAARO 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CCN(Cc1noc(C)n1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299764875 403567985 /nfs/dbraw/zinc/56/79/85/403567985.db2.gz VBAJCARWXNHMMP-AWEZNQCLSA-N 1 0 314.389 2.253 50 0 DEAARO CO[C@]12CCN(Cc3nnc(C)[nH]3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299764503 403568238 /nfs/dbraw/zinc/56/82/38/403568238.db2.gz ICXUYCXXVLSASC-HLLBOEOZSA-N 1 0 320.437 2.052 50 0 DEAARO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1)C(C)(C)C ZINC000328597186 404112051 /nfs/dbraw/zinc/11/20/51/404112051.db2.gz FISQJCFVGMDVID-UONOGXRCSA-N 1 0 309.454 2.322 50 0 DEAARO C[C@@](O)(C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1)C(F)(F)F ZINC000328597722 404112581 /nfs/dbraw/zinc/11/25/81/404112581.db2.gz IVSSNGWCGJYRRY-GXFFZTMASA-N 1 0 308.344 2.377 50 0 DEAARO C[C@@H](c1ccc(-c2cnn(-c3nn[nH]n3)c2)cc1)[NH+]1CCCC1 ZINC000426535696 405367734 /nfs/dbraw/zinc/36/77/34/405367734.db2.gz JZIMLEGANHZDLE-LBPRGKRZSA-N 1 0 309.377 2.209 50 0 DEAARO C[NH2+]Cc1nnc(Sc2ccc(C(F)(F)F)cn2)n1C ZINC000426555659 405368596 /nfs/dbraw/zinc/36/85/96/405368596.db2.gz QGIHKJQHMVVVFU-UHFFFAOYSA-N 1 0 303.313 2.100 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000426596621 405370399 /nfs/dbraw/zinc/37/03/99/405370399.db2.gz PNXQCTLHXDHSEX-AWEZNQCLSA-N 1 0 321.469 2.333 50 0 DEAARO CCN(CCCCO)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426662016 405373419 /nfs/dbraw/zinc/37/34/19/405373419.db2.gz LOSYGSGPYPERDK-UHFFFAOYSA-N 1 0 313.401 2.396 50 0 DEAARO C[C@@H](CCC(=O)NCc1ccc2[nH]cnc2c1)[NH+]1CCCC1 ZINC000426717057 405375706 /nfs/dbraw/zinc/37/57/06/405375706.db2.gz YAOPFGXKXCVDBV-ZDUSSCGKSA-N 1 0 300.406 2.444 50 0 DEAARO CON1CCC([NH2+]Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000421392083 405486470 /nfs/dbraw/zinc/48/64/70/405486470.db2.gz BNCVVXXUYHVXTH-UHFFFAOYSA-N 1 0 300.406 2.296 50 0 DEAARO CC(C)Oc1ccc(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000585120839 405872309 /nfs/dbraw/zinc/87/23/09/405872309.db2.gz OLVAIYGGKWTXLM-INIZCTEOSA-N 1 0 304.434 2.474 50 0 DEAARO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000585114495 405867965 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O=C(NC[C@H]1CCC[N@H+]1CCCO)c1csc2ccccc12 ZINC000408519865 227239719 /nfs/dbraw/zinc/23/97/19/227239719.db2.gz JHLHMRYSKWLHTH-CYBMUJFWSA-N 1 0 318.442 2.478 50 0 DEAARO CCc1nn2c(nc(C[N@@H+](CC)C3CCCC3)cc2=O)s1 ZINC000047966778 424828981 /nfs/dbraw/zinc/82/89/81/424828981.db2.gz DHNBCFPLQMNNAJ-UHFFFAOYSA-N 1 0 306.435 2.478 50 0 DEAARO CCOc1cc2c(cc1C[NH2+]CCNC(=O)C(C)C)O[C@@H](C)C2 ZINC000048355319 424833168 /nfs/dbraw/zinc/83/31/68/424833168.db2.gz RXZSKKQWEAKARS-ZDUSSCGKSA-N 1 0 320.433 2.271 50 0 DEAARO CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000048274776 424831502 /nfs/dbraw/zinc/83/15/02/424831502.db2.gz ZBDXRBBKVRSMQF-ROUUACIJSA-N 1 0 316.445 2.365 50 0 DEAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000107322518 424849888 /nfs/dbraw/zinc/84/98/88/424849888.db2.gz MGPGHSSQHNVGGB-MPKXVKKWSA-N 1 0 305.382 2.023 50 0 DEAARO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2ccccc2O1 ZINC000252511673 424888135 /nfs/dbraw/zinc/88/81/35/424888135.db2.gz 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277106512 /nfs/dbraw/zinc/10/65/12/277106512.db2.gz WNEMTAUCNIEFTF-QGZVFWFLSA-N 1 0 307.482 2.195 50 0 DEAARO Cc1ccc2oc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2c1 ZINC000299768982 278907245 /nfs/dbraw/zinc/90/72/45/278907245.db2.gz HPNVTMIKKQDFKH-GJZGRUSLSA-N 1 0 314.385 2.334 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(N(C)C)cc1 ZINC000097679795 279266691 /nfs/dbraw/zinc/26/66/91/279266691.db2.gz JURLCCUPSZRTCJ-QGZVFWFLSA-N 1 0 303.450 2.286 50 0 DEAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000237793860 279652904 /nfs/dbraw/zinc/65/29/04/279652904.db2.gz VIQHKDQTFZLJHY-HIFRSBDPSA-N 1 0 305.397 2.283 50 0 DEAARO c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@H]2CCSC2)cc1 ZINC000096477480 280480670 /nfs/dbraw/zinc/48/06/70/280480670.db2.gz AIKYDCFRVJCOGT-DLBZAZTESA-N 1 0 306.475 2.025 50 0 DEAARO CC1(C)C[N@H+](CCN2CCCOCC2)Cc2ccccc2O1 ZINC000361378052 281236609 /nfs/dbraw/zinc/23/66/09/281236609.db2.gz QCJUOBCPADAASN-UHFFFAOYSA-N 1 0 304.434 2.382 50 0 DEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cnccn2)C1 ZINC000244594229 281366243 /nfs/dbraw/zinc/36/62/43/281366243.db2.gz DISPUJNZZBVBAK-OAHLLOKOSA-N 1 0 310.401 2.004 50 0 DEAARO CCn1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000043645340 281625554 /nfs/dbraw/zinc/62/55/54/281625554.db2.gz MFIXACSCAFDFQH-CYBMUJFWSA-N 1 0 307.423 2.389 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000246887348 288394258 /nfs/dbraw/zinc/39/42/58/288394258.db2.gz VDKBQOBACIXSPZ-SRABZTEZSA-N 1 0 302.418 2.363 50 0 DEAARO C[C@H](c1nnnn1C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248936834 290287734 /nfs/dbraw/zinc/28/77/34/290287734.db2.gz CBXNFXDITIIMOD-LSDHHAIUSA-N 1 0 320.485 2.248 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000097009250 295249124 /nfs/dbraw/zinc/24/91/24/295249124.db2.gz VDVCHSVGABMNFD-WFASDCNBSA-N 1 0 319.430 2.031 50 0 DEAARO COc1ccc(NC(=O)c2nnc(C3CC[NH2+]CC3)s2)cc1 ZINC000047218825 331723649 /nfs/dbraw/zinc/72/36/49/331723649.db2.gz 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COc1ccc(-c2n[nH]cc2CN2CC[NH+](C3CC3)CC2)cc1 ZINC000127954370 684167558 /nfs/dbraw/zinc/16/75/58/684167558.db2.gz KPRGHAWBGVEPPD-UHFFFAOYSA-N 1 0 312.417 2.365 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C12CCC2 ZINC000863984282 686602441 /nfs/dbraw/zinc/60/24/41/686602441.db2.gz QRBWHYCRIKOTHK-CQSZACIVSA-N 1 0 320.437 2.405 50 0 DEAARO COc1ccc2c(c1)c(C[N@@H+]1CC[C@@]3(CCC(=O)N3)C1)cn2C ZINC000675016951 778335716 /nfs/dbraw/zinc/33/57/16/778335716.db2.gz IFVBTYLULNSDNA-SFHVURJKSA-N 1 0 313.401 2.041 50 0 DEAARO CC(C)C[N@H+](C1CN(Cc2cccnc2)C1)C1CCOCC1 ZINC000581794897 784783078 /nfs/dbraw/zinc/78/30/78/784783078.db2.gz XFHFJLSCQJDTDJ-UHFFFAOYSA-N 1 0 303.450 2.403 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000581808829 784785695 /nfs/dbraw/zinc/78/56/95/784785695.db2.gz QWFCVPMSQQYHPJ-HNNXBMFYSA-N 1 0 303.406 2.411 50 0 DEAARO Cc1cc(C)cc(C(=O)N[C@H]2CCOC[C@@H]2[NH+]2CCCC2)c1 ZINC000952876883 792792084 /nfs/dbraw/zinc/79/20/84/792792084.db2.gz HFEQLENTYFEHRF-IRXDYDNUSA-N 1 0 302.418 2.287 50 0 DEAARO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cnn(C)n1 ZINC000952876874 792792334 /nfs/dbraw/zinc/79/23/34/792792334.db2.gz ZOCLIDFKCZZDPH-UHTWSYAYSA-N 1 0 323.441 2.158 50 0 DEAARO [NH3+][C@@H](CC1OCCO1)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000952882716 792796918 /nfs/dbraw/zinc/79/69/18/792796918.db2.gz IXAKHLQIIMIZOE-UONOGXRCSA-N 1 0 324.808 2.094 50 0 DEAARO CCOC(=O)[C@H](F)[C@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC000952964116 792811815 /nfs/dbraw/zinc/81/18/15/792811815.db2.gz POVNOYPUBZOGAG-WCQYABFASA-N 1 0 300.399 2.483 50 0 DEAARO CC[C@@H](C(=O)NCC1(O)C2CC3CC(C2)CC1C3)[N@H+](C)CC ZINC000952973397 792834524 /nfs/dbraw/zinc/83/45/24/792834524.db2.gz XMGWCIQOVBYMAT-STWSTGMMSA-N 1 0 308.466 2.020 50 0 DEAARO Cc1n[nH]c(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)c1Cl ZINC000952977601 792842783 /nfs/dbraw/zinc/84/27/83/792842783.db2.gz OFSHPZBOPWRNEM-LLVKDONJSA-N 1 0 322.796 2.359 50 0 DEAARO Cc1c(NC(=O)CC(C)C)cccc1NC(=O)[C@H]1C=CC[NH2+]1 ZINC000952991558 792852169 /nfs/dbraw/zinc/85/21/69/792852169.db2.gz UHRCGNPUBLUBNP-OAHLLOKOSA-N 1 0 301.390 2.446 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)/C=C/c2cc(CO)cs2)C1 ZINC000952981930 792860334 /nfs/dbraw/zinc/86/03/34/792860334.db2.gz WWBPZJYFQAAVCV-URWSZGRFSA-N 1 0 320.458 2.339 50 0 DEAARO COCCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N(C)C ZINC001529115063 1070865869 /nfs/dbraw/zinc/86/58/69/1070865869.db2.gz XWEMGZPCGRKELB-AWEZNQCLSA-N 1 0 308.422 2.010 50 0 DEAARO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529179584 1070903210 /nfs/dbraw/zinc/90/32/10/1070903210.db2.gz CTNWHUQDISEQFE-GEEKYZPCSA-N 1 0 323.458 2.071 50 0 DEAARO COc1ccc(C[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)c(C)c1 ZINC001529190701 1070910228 /nfs/dbraw/zinc/91/02/28/1070910228.db2.gz MSEKIRJSNYQRLY-IEBWSBKVSA-N 1 0 312.413 2.434 50 0 DEAARO Fc1cnccc1NCC1([NH+]2CCOCC2)CCCCCC1 ZINC001506414859 1061956129 /nfs/dbraw/zinc/95/61/29/1061956129.db2.gz INAVOPZZQVILPS-UHFFFAOYSA-N 1 0 307.413 2.480 50 0 DEAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]CC1(O)C2CC3CC(C2)CC1C3 ZINC001506417559 1061959858 /nfs/dbraw/zinc/95/98/58/1061959858.db2.gz AKJJSPUFVXGKCB-MMPVQKAMSA-N 1 0 322.493 2.457 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1cccc(C(F)(F)F)n1 ZINC001506422796 1061967578 /nfs/dbraw/zinc/96/75/78/1061967578.db2.gz UTVZVOUUSMXFST-NSHDSACASA-N 1 0 303.328 2.359 50 0 DEAARO COc1ccc(OC)c([C@H]2CC[N@H+](CCc3nccn3C)C2)c1 ZINC001506425762 1061971202 /nfs/dbraw/zinc/97/12/02/1061971202.db2.gz RFLTWMZYHGORDM-AWEZNQCLSA-N 1 0 315.417 2.469 50 0 DEAARO CCCOc1ccccc1CCC[NH2+][C@@H](C)CN(C)CCO ZINC001506428465 1061972486 /nfs/dbraw/zinc/97/24/86/1061972486.db2.gz PAQOIVLEPANENA-INIZCTEOSA-N 1 0 308.466 2.310 50 0 DEAARO Cc1cc(C)c(C(=O)N(C)CC[C@H](C)[NH+]2CCCC2)c(=O)[nH]1 ZINC001506427363 1061973571 /nfs/dbraw/zinc/97/35/71/1061973571.db2.gz IRBIXDVCGWKAJX-AWEZNQCLSA-N 1 0 305.422 2.350 50 0 DEAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCCN1C ZINC000823777553 1090697746 /nfs/dbraw/zinc/69/77/46/1090697746.db2.gz GURFCPYHSOMHCT-GFCCVEGCSA-N 1 0 316.854 2.411 50 0 DEAARO [NH3+]CCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000095470789 185372758 /nfs/dbraw/zinc/37/27/58/185372758.db2.gz RXTDJXDISWDSGQ-UHFFFAOYSA-N 1 0 319.158 2.157 50 0 DEAARO Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000095522808 185377481 /nfs/dbraw/zinc/37/74/81/185377481.db2.gz GWOREJKTYHXQKW-AWEZNQCLSA-N 1 0 317.389 2.447 50 0 DEAARO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCN3C(=O)CCC3=O)C2)cc1 ZINC000278394305 214139140 /nfs/dbraw/zinc/13/91/40/214139140.db2.gz FIEURRUQYJEZSK-ZBFHGGJFSA-N 1 0 300.402 2.322 50 0 DEAARO Cc1csc(C2([NH2+]C[C@@H](O)Cn3cccn3)CCCC2)n1 ZINC000083216042 185220284 /nfs/dbraw/zinc/22/02/84/185220284.db2.gz OGSKBNXXKAEPTC-CYBMUJFWSA-N 1 0 306.435 2.068 50 0 DEAARO CCOc1cc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC ZINC000089990990 185275335 /nfs/dbraw/zinc/27/53/35/185275335.db2.gz PTFPFEDLYGUAOF-CJNGLKHVSA-N 1 0 320.433 2.440 50 0 DEAARO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090115979 185282976 /nfs/dbraw/zinc/28/29/76/185282976.db2.gz AJVUUMTZESNQJS-UKRRQHHQSA-N 1 0 316.405 2.119 50 0 DEAARO Cc1cc(-c2nn(C)c(Cl)c2CN2CCCC[C@H]([NH3+])C2)no1 ZINC000082100005 192355913 /nfs/dbraw/zinc/35/59/13/192355913.db2.gz RWNPKFCBLLJJGW-NSHDSACASA-N 1 0 323.828 2.350 50 0 DEAARO COCC[NH2+]CC(=O)Nc1ccccc1SC(F)(F)F ZINC000092495339 185322430 /nfs/dbraw/zinc/32/24/30/185322430.db2.gz UEXKEGDDQBNXRC-UHFFFAOYSA-N 1 0 308.325 2.473 50 0 DEAARO C[NH+](C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000545958 282251779 /nfs/dbraw/zinc/25/17/79/282251779.db2.gz OEHLTMGFSCJGHR-KGLIPLIRSA-N 1 0 316.854 2.491 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1O)c1ccccc1 ZINC000095400097 185354066 /nfs/dbraw/zinc/35/40/66/185354066.db2.gz XWWBZVLSDNXHOJ-HNNXBMFYSA-N 1 0 300.358 2.131 50 0 DEAARO Cc1nsc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000095403211 185354801 /nfs/dbraw/zinc/35/48/01/185354801.db2.gz WEUNCZRVKYNNDB-UHFFFAOYSA-N 1 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C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000071144072 190935863 /nfs/dbraw/zinc/93/58/63/190935863.db2.gz ACFOJRAPCIPXGF-SECBINFHSA-N 1 0 315.186 2.270 50 0 DEAARO O=C1CCCN1C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000071748982 191020366 /nfs/dbraw/zinc/02/03/66/191020366.db2.gz LFBWFNOJGCHUTF-UHFFFAOYSA-N 1 0 314.389 2.257 50 0 DEAARO O=c1[nH]nc(C2CC[NH+](CC3CC3)CC2)n1Cc1ccccc1 ZINC000071754112 191024962 /nfs/dbraw/zinc/02/49/62/191024962.db2.gz MOZFJWAHLWPJBO-UHFFFAOYSA-N 1 0 312.417 2.209 50 0 DEAARO O=C(N[C@H](c1ccccc1)[C@H](O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000071769539 191030381 /nfs/dbraw/zinc/03/03/81/191030381.db2.gz JVOUIFUIIPEWLM-KZNAEPCWSA-N 1 0 310.397 2.330 50 0 DEAARO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)[nH]n1 ZINC000072133169 191045263 /nfs/dbraw/zinc/04/52/63/191045263.db2.gz ZYUQQJXHYZSFSZ-KRWDZBQOSA-N 1 0 324.428 2.033 50 0 DEAARO OCCC[N@@H+]1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133918 191046715 /nfs/dbraw/zinc/04/67/15/191046715.db2.gz 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CC1(C)CC(NS(=O)(=O)c2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC000004511327 181117836 /nfs/dbraw/zinc/11/78/36/181117836.db2.gz UOXYDFNQBDKQEA-UHFFFAOYSA-N 1 0 314.426 2.413 50 0 DEAARO C[C@H](C(=O)Nc1cccc2c1CCNC2=O)[NH+]1CCCCCC1 ZINC000334012791 283020005 /nfs/dbraw/zinc/02/00/05/283020005.db2.gz WJOXDCBYLVBHOU-CYBMUJFWSA-N 1 0 315.417 2.176 50 0 DEAARO O[C@H](C[NH2+]C[C@H]1OCCc2ccccc21)COc1ccccc1 ZINC000004769855 181149684 /nfs/dbraw/zinc/14/96/84/181149684.db2.gz DOMDGVSFKLBTOO-VQIMIIECSA-N 1 0 313.397 2.330 50 0 DEAARO O=C(N[C@@H]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066193191 354704574 /nfs/dbraw/zinc/70/45/74/354704574.db2.gz XCCUYLVMAPLPBX-QZTJIDSGSA-N 1 0 313.445 2.424 50 0 DEAARO CC[NH+](CC)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000004811854 181155348 /nfs/dbraw/zinc/15/53/48/181155348.db2.gz VKUKIXYKVOPZPR-UHFFFAOYSA-N 1 0 302.353 2.359 50 0 DEAARO O[C@H](COc1ccccc1Br)C[NH+]1CCCC1 ZINC000004819486 181156578 /nfs/dbraw/zinc/15/65/78/181156578.db2.gz ZPUOKDVHZIOSSX-NSHDSACASA-N 1 0 300.196 2.285 50 0 DEAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000004850869 181162673 /nfs/dbraw/zinc/16/26/73/181162673.db2.gz KBSKYAWDGIECMD-ZDUSSCGKSA-N 1 0 314.385 2.410 50 0 DEAARO Fc1ccc2ncnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000075094670 355068177 /nfs/dbraw/zinc/06/81/77/355068177.db2.gz ZVOKKDRTMLWJLD-CQSZACIVSA-N 1 0 316.380 2.070 50 0 DEAARO COC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000076094033 355125568 /nfs/dbraw/zinc/12/55/68/355125568.db2.gz DUXIANNVZZEZLR-DZGCQCFKSA-N 1 0 321.421 2.283 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000079073421 355295156 /nfs/dbraw/zinc/29/51/56/355295156.db2.gz AHRDAUQYBOKLLA-OVWNDWIMSA-N 1 0 305.875 2.444 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000078897372 355283838 /nfs/dbraw/zinc/28/38/38/355283838.db2.gz ZCMOUTXKNIWPPL-ZFWWWQNUSA-N 1 0 318.417 2.194 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1[NH+](C)C ZINC000089948571 355549577 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ZINC000080900678 192199317 /nfs/dbraw/zinc/19/93/17/192199317.db2.gz BQQGJISXNFVIPM-CXAGYDPISA-N 1 0 308.422 2.063 50 0 DEAARO C/C=C(\C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000274560963 356355706 /nfs/dbraw/zinc/35/57/06/356355706.db2.gz WHKJAXQTZCHUJU-ZTWVHDNBSA-N 1 0 302.418 2.226 50 0 DEAARO CCOc1cc(/C=C/C(=O)N(C)C2CC[NH2+]CC2)ccc1OC ZINC000236870625 202045017 /nfs/dbraw/zinc/04/50/17/202045017.db2.gz HTTYYJKMORKMGR-SOFGYWHQSA-N 1 0 318.417 2.318 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(C)=NO3)CC2)o1 ZINC000584901427 357330403 /nfs/dbraw/zinc/33/04/03/357330403.db2.gz VHDDTEQOLZGUFA-INIZCTEOSA-N 1 0 319.405 2.081 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000584898929 357330609 /nfs/dbraw/zinc/33/06/09/357330609.db2.gz OLYBVZZATNSAFB-AWEZNQCLSA-N 1 0 320.389 2.168 50 0 DEAARO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3ccnc3)ccc2NC1=O ZINC000180008947 199106516 /nfs/dbraw/zinc/10/65/16/199106516.db2.gz SMWFFOCAXFAWKG-SWLSCSKDSA-N 1 0 314.389 2.343 50 0 DEAARO COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000237305562 202224657 /nfs/dbraw/zinc/22/46/57/202224657.db2.gz XBUAOOQFLCZDMR-VYPOOZAYSA-N 1 0 318.417 2.303 50 0 DEAARO C[C@@H]1CN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CC[NH2+]1 ZINC000188455033 200248912 /nfs/dbraw/zinc/24/89/12/200248912.db2.gz SQQLZIBCDYSUDM-LLVKDONJSA-N 1 0 319.405 2.307 50 0 DEAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000237964165 283499598 /nfs/dbraw/zinc/49/95/98/283499598.db2.gz PLWLYRSHNGSGRA-LLVKDONJSA-N 1 0 320.343 2.104 50 0 DEAARO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccco1 ZINC000188702037 200290981 /nfs/dbraw/zinc/29/09/81/200290981.db2.gz OHFKBJKDQJNIRV-UHFFFAOYSA-N 1 0 314.451 2.412 50 0 DEAARO O[C@@]1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCSC1 ZINC000189266836 200372037 /nfs/dbraw/zinc/37/20/37/200372037.db2.gz DDHHOOIHUIBSLR-MRXNPFEDSA-N 1 0 321.421 2.028 50 0 DEAARO C[C@H]1OCC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000089639773 291232283 /nfs/dbraw/zinc/23/22/83/291232283.db2.gz CGZIWXVYKDPYOV-CZUORRHYSA-N 1 0 309.454 2.260 50 0 DEAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000006111146 181313374 /nfs/dbraw/zinc/31/33/74/181313374.db2.gz VSONKLRWXJMQQO-HZPDHXFCSA-N 1 0 323.433 2.062 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)c1conc1-c1ccccc1 ZINC000670435549 540932840 /nfs/dbraw/zinc/93/28/40/540932840.db2.gz OZAKFCYKZLXHBS-UHFFFAOYSA-N 1 0 322.368 2.309 50 0 DEAARO O=c1cc([C@H]2CCC[N@@H+](C3CSCCSC3)C2)nc[nH]1 ZINC000670437277 540933392 /nfs/dbraw/zinc/93/33/92/540933392.db2.gz RKMHULOFTJZDAR-NSHDSACASA-N 1 0 311.476 2.210 50 0 DEAARO O=c1c2ccncc2ncn1C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000670458584 540937029 /nfs/dbraw/zinc/93/70/29/540937029.db2.gz RRCJYKYMUQGIMK-CQSZACIVSA-N 1 0 324.384 2.297 50 0 DEAARO Cc1ccccc1OC[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000670471208 540938208 /nfs/dbraw/zinc/93/82/08/540938208.db2.gz MIIOTQAQWNVTCS-INIZCTEOSA-N 1 0 300.406 2.378 50 0 DEAARO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194932303 201314177 /nfs/dbraw/zinc/31/41/77/201314177.db2.gz CCPYYHSDQHVRNM-ZDUSSCGKSA-N 1 0 306.406 2.070 50 0 DEAARO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCC(N)=O ZINC000006746176 181381619 /nfs/dbraw/zinc/38/16/19/181381619.db2.gz FQDMOTCVPLFNIL-CYBMUJFWSA-N 1 0 314.385 2.410 50 0 DEAARO O=C(NC1CCCCC1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091595434 193077695 /nfs/dbraw/zinc/07/76/95/193077695.db2.gz KSSSPHBNLLRBSI-CVEARBPZSA-N 1 0 323.481 2.055 50 0 DEAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000091474028 193061658 /nfs/dbraw/zinc/06/16/58/193061658.db2.gz LXXUCDWTITTZJD-QAPCUYQASA-N 1 0 324.428 2.315 50 0 DEAARO O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058356008 296081552 /nfs/dbraw/zinc/08/15/52/296081552.db2.gz YFRWPJMZGDHUFX-RDJZCZTQSA-N 1 0 300.402 2.077 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccc(OCCO)cc2)CC[C@@]1(O)C1CCC1 ZINC000091848164 193117000 /nfs/dbraw/zinc/11/70/00/193117000.db2.gz RXBOHGRMQARWQN-BEFAXECRSA-N 1 0 319.445 2.431 50 0 DEAARO COc1ccc2cc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)ccc2c1 ZINC000091864143 193120032 /nfs/dbraw/zinc/12/00/32/193120032.db2.gz GTPSBADMXHSJOR-MRXNPFEDSA-N 1 0 311.385 2.058 50 0 DEAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]CCNC(=O)C(C)C)[nH]c12 ZINC000091876945 193122039 /nfs/dbraw/zinc/12/20/39/193122039.db2.gz NEQFEBGAMKYWRD-UHFFFAOYSA-N 1 0 315.417 2.007 50 0 DEAARO OC[C@H]1CN(Cc2cc(F)ccc2F)C[C@H]1C[NH+]1CCCC1 ZINC000091896560 193124016 /nfs/dbraw/zinc/12/40/16/193124016.db2.gz WHCKCDVBKCGHTP-HUUCEWRRSA-N 1 0 310.388 2.101 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@@H](C)O1 ZINC000091921486 193127217 /nfs/dbraw/zinc/12/72/17/193127217.db2.gz MYFLXYLHDPJBBF-ZIAGYGMSSA-N 1 0 306.406 2.127 50 0 DEAARO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000091965146 193133910 /nfs/dbraw/zinc/13/39/10/193133910.db2.gz DXABLVPPRVRPCG-UWVGGRQHSA-N 1 0 321.179 2.188 50 0 DEAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc2sccc2c1 ZINC000091973996 193134650 /nfs/dbraw/zinc/13/46/50/193134650.db2.gz GYVFJSKAWPJUNC-CYBMUJFWSA-N 1 0 318.442 2.335 50 0 DEAARO CCn1nccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091974026 193134753 /nfs/dbraw/zinc/13/47/53/193134753.db2.gz LRSLPYZOYHBDOP-HZPDHXFCSA-N 1 0 316.449 2.240 50 0 DEAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@](CO)(CC2CC2)C1 ZINC000091986904 193137300 /nfs/dbraw/zinc/13/73/00/193137300.db2.gz WFCNBSFFVRETHJ-SFHVURJKSA-N 1 0 308.466 2.264 50 0 DEAARO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)C(C)(C)c1ccc(F)cc1 ZINC000097375028 296117214 /nfs/dbraw/zinc/11/72/14/296117214.db2.gz DBXAGQIEJQMXQQ-CYBMUJFWSA-N 1 0 322.424 2.364 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000252671421 202869762 /nfs/dbraw/zinc/86/97/62/202869762.db2.gz VSEJRDOEDBUTDA-RRFJBIMHSA-N 1 0 316.401 2.249 50 0 DEAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccccc1F ZINC000007519209 181471509 /nfs/dbraw/zinc/47/15/09/181471509.db2.gz CJGINUVMNXGHCQ-UHFFFAOYSA-N 1 0 305.349 2.495 50 0 DEAARO C[C@@H](C1CCN(C(=O)c2ccn(C(F)F)n2)CC1)[NH+](C)C ZINC000095359356 193430973 /nfs/dbraw/zinc/43/09/73/193430973.db2.gz OXDQDASBAZKUHL-JTQLQIEISA-N 1 0 300.353 2.081 50 0 DEAARO CCOc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000095943374 193453469 /nfs/dbraw/zinc/45/34/69/193453469.db2.gz QHUTTWZWQNOXBO-AWEZNQCLSA-N 1 0 318.421 2.430 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCOc2ccccc21 ZINC000229151353 284199903 /nfs/dbraw/zinc/19/99/03/284199903.db2.gz RJZBYQMCWDKPTP-PMPSAXMXSA-N 1 0 315.417 2.436 50 0 DEAARO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000010436041 181670341 /nfs/dbraw/zinc/67/03/41/181670341.db2.gz PPWRZNFXGFXVBL-UHFFFAOYSA-N 1 0 308.422 2.487 50 0 DEAARO O=C1C[C@H]([NH2+]C2CCSCC2)CN1CCc1ccccc1 ZINC000012209701 181740805 /nfs/dbraw/zinc/74/08/05/181740805.db2.gz HNPSRXPFAZGPSS-INIZCTEOSA-N 1 0 304.459 2.315 50 0 DEAARO COc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000017031569 182069449 /nfs/dbraw/zinc/06/94/49/182069449.db2.gz KEHQRXADJVCZMM-UHFFFAOYSA-N 1 0 307.394 2.311 50 0 DEAARO Cc1cc(OC[C@H](O)CN2CC[NH+](C)CC2)ccc1C(C)C ZINC000019721127 182138467 /nfs/dbraw/zinc/13/84/67/182138467.db2.gz CHLYOUYAVJEDKQ-MRXNPFEDSA-N 1 0 306.450 2.106 50 0 DEAARO COc1ccccc1CN1CCC[C@@H](C[NH2+]CCN(C)C)C1 ZINC000019735521 182139996 /nfs/dbraw/zinc/13/99/96/182139996.db2.gz OZPAOOQAVTXKOP-INIZCTEOSA-N 1 0 305.466 2.058 50 0 DEAARO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000019642916 182134008 /nfs/dbraw/zinc/13/40/08/182134008.db2.gz YEJHNHRRDHFVFK-INIZCTEOSA-N 1 0 312.344 2.290 50 0 DEAARO [NH3+]CCS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000019765829 182144253 /nfs/dbraw/zinc/14/42/53/182144253.db2.gz KQJLDXLDKFKFNV-SNVBAGLBSA-N 1 0 319.213 2.317 50 0 DEAARO C[C@@H]1C[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000019790654 182149148 /nfs/dbraw/zinc/14/91/48/182149148.db2.gz GLKNABKGKCGHNA-IOASZLSFSA-N 1 0 313.825 2.327 50 0 DEAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019938328 182168205 /nfs/dbraw/zinc/16/82/05/182168205.db2.gz BNQISAOSPSREGL-MRXNPFEDSA-N 1 0 312.841 2.248 50 0 DEAARO COCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020102870 182186875 /nfs/dbraw/zinc/18/68/75/182186875.db2.gz LECZKYMAFKRWGI-UHFFFAOYSA-N 1 0 304.434 2.360 50 0 DEAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000020456581 182219320 /nfs/dbraw/zinc/21/93/20/182219320.db2.gz UVNJKMFQBMDDQK-INIZCTEOSA-N 1 0 315.461 2.306 50 0 DEAARO CC[NH+]1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000022846404 182336864 /nfs/dbraw/zinc/33/68/64/182336864.db2.gz FLNZFTMBMOUIAP-SFHVURJKSA-N 1 0 321.440 2.277 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000022853323 182337292 /nfs/dbraw/zinc/33/72/92/182337292.db2.gz ZQFMBADHSUWNQI-OAHLLOKOSA-N 1 0 312.404 2.489 50 0 DEAARO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1C1CCCC1 ZINC000023153264 182352267 /nfs/dbraw/zinc/35/22/67/182352267.db2.gz CULAPFJHMNPKFZ-KRWDZBQOSA-N 1 0 304.434 2.203 50 0 DEAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000023249119 182354186 /nfs/dbraw/zinc/35/41/86/182354186.db2.gz XKUPEVXKOPTZPN-UHFFFAOYSA-N 1 0 323.440 2.412 50 0 DEAARO COCc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)o1 ZINC000023375360 182358310 /nfs/dbraw/zinc/35/83/10/182358310.db2.gz WGSNNVSSUZZIRU-INIZCTEOSA-N 1 0 322.449 2.237 50 0 DEAARO Cc1ccc2n[nH]c(C[N@@H+]3CCCN(c4ncccn4)CC3)c2c1 ZINC000023541021 182363223 /nfs/dbraw/zinc/36/32/23/182363223.db2.gz ZIYXCTGPWRAAST-UHFFFAOYSA-N 1 0 322.416 2.374 50 0 DEAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000024680240 182387133 /nfs/dbraw/zinc/38/71/33/182387133.db2.gz VHSQIHPZKFQSTQ-HNNXBMFYSA-N 1 0 301.365 2.427 50 0 DEAARO [NH3+]C1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000036753522 182841462 /nfs/dbraw/zinc/84/14/62/182841462.db2.gz LLNMAUNJGPVYBV-UHFFFAOYSA-N 1 0 301.159 2.152 50 0 DEAARO CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000040105858 183035231 /nfs/dbraw/zinc/03/52/31/183035231.db2.gz XZVBUPAIKMBGJY-UHFFFAOYSA-N 1 0 305.422 2.033 50 0 DEAARO COc1ccc(/C=C\C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000493227726 249253838 /nfs/dbraw/zinc/25/38/38/249253838.db2.gz XBUAOOQFLCZDMR-IVSDIMSDSA-N 1 0 318.417 2.303 50 0 DEAARO COc1cccc([C@@H](CNC(=O)c2cc(C)on2)[NH+](C)C)c1 ZINC000041951761 183226700 /nfs/dbraw/zinc/22/67/00/183226700.db2.gz KTZBUFPQKCJLFN-OAHLLOKOSA-N 1 0 303.362 2.024 50 0 DEAARO COc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)cc2c1OCO2 ZINC000042227535 183244469 /nfs/dbraw/zinc/24/44/69/183244469.db2.gz HAJLVLFMJRHZHZ-UHFFFAOYSA-N 1 0 315.373 2.175 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2cc(OC)cc(OC)c2)C1 ZINC000493591881 249334831 /nfs/dbraw/zinc/33/48/31/249334831.db2.gz QNZJBQHAEIDESE-IDTUSYRASA-N 1 0 318.417 2.175 50 0 DEAARO Cc1nnc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000043412320 183361067 /nfs/dbraw/zinc/36/10/67/183361067.db2.gz IDRQGMKXVZDMEB-GFCCVEGCSA-N 1 0 323.397 2.410 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cnccn1 ZINC000043971497 183391124 /nfs/dbraw/zinc/39/11/24/183391124.db2.gz LRYRVVUGVBHBDS-UHFFFAOYSA-N 1 0 316.430 2.180 50 0 DEAARO COc1ccc(C)cc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000045822276 183531752 /nfs/dbraw/zinc/53/17/52/183531752.db2.gz FTUIDQQIXBZQGR-UHFFFAOYSA-N 1 0 314.385 2.158 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)NCc1ccccc1 ZINC000056336579 184010718 /nfs/dbraw/zinc/01/07/18/184010718.db2.gz DOYKFJJNPRQJON-UHFFFAOYSA-N 1 0 312.417 2.355 50 0 DEAARO CSCC[C@@H]([NH3+])C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000157308128 197178285 /nfs/dbraw/zinc/17/82/85/197178285.db2.gz POQRXGLPUHGROX-LLVKDONJSA-N 1 0 322.459 2.148 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000058213714 184088610 /nfs/dbraw/zinc/08/86/10/184088610.db2.gz QIBBYMHHOAVQCL-OAHLLOKOSA-N 1 0 317.433 2.039 50 0 DEAARO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000058146792 184081054 /nfs/dbraw/zinc/08/10/54/184081054.db2.gz YFCVHVGEZYVPNH-HNNXBMFYSA-N 1 0 317.433 2.226 50 0 DEAARO c1ccc2c3nnnn3c(SCC[NH+]3CCCCC3)nc2c1 ZINC000058158967 184082174 /nfs/dbraw/zinc/08/21/74/184082174.db2.gz AQJHAEXEWPCYNL-UHFFFAOYSA-N 1 0 314.418 2.251 50 0 DEAARO COC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058358027 184108948 /nfs/dbraw/zinc/10/89/48/184108948.db2.gz VFXLOAIFJBRIRP-DZGCQCFKSA-N 1 0 308.397 2.189 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)c(C)nn1C ZINC000058391211 184110988 /nfs/dbraw/zinc/11/09/88/184110988.db2.gz PBCADCJUUHGEBN-INIZCTEOSA-N 1 0 320.412 2.269 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000058392236 184112103 /nfs/dbraw/zinc/11/21/03/184112103.db2.gz XDTOCJRGWDHAOZ-KRWDZBQOSA-N 1 0 315.465 2.187 50 0 DEAARO C[C@@H](CNC(=O)c1[nH]nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000060156701 184144907 /nfs/dbraw/zinc/14/49/07/184144907.db2.gz WADQKRIQDKVBFP-ZDUSSCGKSA-N 1 0 300.406 2.413 50 0 DEAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000062001530 184200608 /nfs/dbraw/zinc/20/06/08/184200608.db2.gz HIVLLLMSCJPNTB-FUHWJXTLSA-N 1 0 308.337 2.340 50 0 biogenic DEAARO CCCc1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000065166397 184313277 /nfs/dbraw/zinc/31/32/77/184313277.db2.gz UUMFCKVAKRCAER-UHFFFAOYSA-N 1 0 312.417 2.045 50 0 DEAARO C[C@@H](Cn1cncn1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000065387934 184333907 /nfs/dbraw/zinc/33/39/07/184333907.db2.gz OBPKXLHCPDLUQS-INIZCTEOSA-N 1 0 305.470 2.445 50 0 DEAARO CC(=O)NC1CCN(CC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000065394590 184334702 /nfs/dbraw/zinc/33/47/02/184334702.db2.gz URXOSSAYPFNGHO-LJQANCHMSA-N 1 0 317.477 2.328 50 0 DEAARO COC(=O)C1(c2nc(C(C)C)nn2-c2cc[nH+]cc2C)CC1 ZINC000065380664 184331948 /nfs/dbraw/zinc/33/19/48/184331948.db2.gz WLMJRWSNPMPIIX-UHFFFAOYSA-N 1 0 300.362 2.299 50 0 DEAARO COc1ccc2c(ccn2CC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000065459404 184348157 /nfs/dbraw/zinc/34/81/57/184348157.db2.gz GENYEZMQDQTVEA-UHFFFAOYSA-N 1 0 315.417 2.203 50 0 DEAARO Cc1[nH+]c(N(C)C)nc(NCc2nc3ccccc3c(=O)[nH]2)c1C ZINC000065397733 184335605 /nfs/dbraw/zinc/33/56/05/184335605.db2.gz XBHTZDQDVSPTAW-UHFFFAOYSA-N 1 0 324.388 2.008 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000066126773 184391191 /nfs/dbraw/zinc/39/11/91/184391191.db2.gz IBDDWLVEFJPPNS-LBPRGKRZSA-N 1 0 317.437 2.045 50 0 DEAARO COCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000242339276 533005791 /nfs/dbraw/zinc/00/57/91/533005791.db2.gz ZGMFLTZWHAXIID-NVXWUHKLSA-N 1 0 319.449 2.185 50 0 DEAARO O[C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]12 ZINC000541553542 285172269 /nfs/dbraw/zinc/17/22/69/285172269.db2.gz JGMYXWKVCBXIBV-UHOFOFEASA-N 1 0 301.365 2.419 50 0 DEAARO O[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCc2ccccc21 ZINC000156887630 197147625 /nfs/dbraw/zinc/14/76/25/197147625.db2.gz UAESOKFVEIKZPM-QGZVFWFLSA-N 1 0 303.402 2.096 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)[C@@H]1C[NH3+] ZINC000156596662 197126489 /nfs/dbraw/zinc/12/64/89/197126489.db2.gz GGEUMBACVIOAAL-RLWBPUTGSA-N 1 0 316.401 2.057 50 0 DEAARO Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000156407429 197110690 /nfs/dbraw/zinc/11/06/90/197110690.db2.gz GIRCKGWFASFHOP-LSDHHAIUSA-N 1 0 312.417 2.380 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000237078483 257239527 /nfs/dbraw/zinc/23/95/27/257239527.db2.gz AITCOWKNECDQGF-LBPRGKRZSA-N 1 0 314.788 2.458 50 0 DEAARO O[C@H](COc1ccccc1-c1cn[nH]c1)C[NH+]1CCCCC1 ZINC000032508974 257242403 /nfs/dbraw/zinc/24/24/03/257242403.db2.gz CRTJKHWRPCKJKM-HNNXBMFYSA-N 1 0 301.390 2.302 50 0 DEAARO Cn1ccnc1CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072408428 257270818 /nfs/dbraw/zinc/27/08/18/257270818.db2.gz HKAFPSUUJVECCL-GOSISDBHSA-N 1 0 310.445 2.095 50 0 DEAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)[O-])CC1 ZINC000263173328 285338576 /nfs/dbraw/zinc/33/85/76/285338576.db2.gz SJVUKQGORIDSDF-CHWSQXEVSA-N 1 0 323.412 2.091 50 0 DEAARO C[NH+](C)C[C@H]1CN(Cc2cc(-c3ccccc3)no2)CCO1 ZINC000071878875 184882951 /nfs/dbraw/zinc/88/29/51/184882951.db2.gz VCRJCJJWZOBYNG-INIZCTEOSA-N 1 0 301.390 2.104 50 0 DEAARO CC(C)Oc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375126776 148333653 /nfs/dbraw/zinc/33/36/53/148333653.db2.gz HIILGCNMWXNLFE-UHFFFAOYSA-N 1 0 317.433 2.463 50 0 DEAARO Cc1ncsc1CN(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000111668844 401720149 /nfs/dbraw/zinc/72/01/49/401720149.db2.gz GMADIEINBXJJTC-AWEZNQCLSA-N 1 0 301.415 2.124 50 0 DEAARO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCCCCC1 ZINC000008119208 401748693 /nfs/dbraw/zinc/74/86/93/401748693.db2.gz NMVSFVYDNXHSAR-LLVKDONJSA-N 1 0 302.378 2.059 50 0 DEAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCC(N)=O ZINC000006743478 401732727 /nfs/dbraw/zinc/73/27/27/401732727.db2.gz WWPXWLKWFXIGPH-UHFFFAOYSA-N 1 0 315.211 2.201 50 0 DEAARO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](O)C1 ZINC000006941034 401734759 /nfs/dbraw/zinc/73/47/59/401734759.db2.gz YPHSGVJIEGYQJL-WDEREUQCSA-N 1 0 320.216 2.190 50 0 DEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1F ZINC000007128139 401736821 /nfs/dbraw/zinc/73/68/21/401736821.db2.gz JCSWCXBYHSZCNJ-AWEZNQCLSA-N 1 0 311.320 2.280 50 0 DEAARO CC(C)[N@H+](C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000074455846 401739263 /nfs/dbraw/zinc/73/92/63/401739263.db2.gz ZYJYJDGQVJIBBZ-UHFFFAOYSA-N 1 0 309.357 2.461 50 0 DEAARO CC[C@@H](O)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000000238692 401691802 /nfs/dbraw/zinc/69/18/02/401691802.db2.gz WGYOXLHUEHBVOF-HZPDHXFCSA-N 1 0 323.433 2.364 50 0 biogenic DEAARO CCC[NH+]1CCC(NC(=O)NCc2ccc(C)nc2OC)CC1 ZINC000071885951 401692175 /nfs/dbraw/zinc/69/21/75/401692175.db2.gz XNYZMHNDFWFKNJ-UHFFFAOYSA-N 1 0 320.437 2.072 50 0 DEAARO CC[C@H](C)[C@H](C)[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC000071897099 401693942 /nfs/dbraw/zinc/69/39/42/401693942.db2.gz ICGBJBIDVMDCSL-DZKIICNBSA-N 1 0 323.481 2.013 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000072269814 401704859 /nfs/dbraw/zinc/70/48/59/401704859.db2.gz UGYONDWQNZLQJA-NFAWXSAZSA-N 1 0 317.389 2.193 50 0 DEAARO CCC(CC)(CCO)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000072932576 401714172 /nfs/dbraw/zinc/71/41/72/401714172.db2.gz MOYTWBHNBHWUIS-HNNXBMFYSA-N 1 0 313.486 2.349 50 0 DEAARO Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H](C)O)c(C(C)C)cc1Cl ZINC000002624424 401715740 /nfs/dbraw/zinc/71/57/40/401715740.db2.gz MJTYNDUNVLZFHV-OLZOCXBDSA-N 1 0 315.841 2.482 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002630555 401716080 /nfs/dbraw/zinc/71/60/80/401716080.db2.gz IZMNPAAYEOHJJJ-OAHLLOKOSA-N 1 0 317.433 2.336 50 0 DEAARO Cc1ccccc1OC[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000002710202 401717052 /nfs/dbraw/zinc/71/70/52/401717052.db2.gz XLVAQTLETWDYFZ-GOSISDBHSA-N 1 0 315.413 2.229 50 0 DEAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000002710213 401717064 /nfs/dbraw/zinc/71/70/64/401717064.db2.gz ISTLWXRSTWXUDC-MRXNPFEDSA-N 1 0 321.417 2.010 50 0 DEAARO C[NH+](C)CCOC(=O)c1cccc(COCC(F)(F)F)c1 ZINC000002751680 401717662 /nfs/dbraw/zinc/71/76/62/401717662.db2.gz FWRPQOGYNACCHQ-UHFFFAOYSA-N 1 0 305.296 2.484 50 0 DEAARO O[C@H](COc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482802 401801667 /nfs/dbraw/zinc/80/16/67/401801667.db2.gz JQIFEVWQKCCWBS-DOTOQJQBSA-N 1 0 301.390 2.377 50 0 DEAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCCn1ccnc1 ZINC000013930323 401805213 /nfs/dbraw/zinc/80/52/13/401805213.db2.gz TXQYAUAFXZOSLW-INIZCTEOSA-N 1 0 317.433 2.426 50 0 DEAARO CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014536037 401811793 /nfs/dbraw/zinc/81/17/93/401811793.db2.gz OCQYUCICWQOPJZ-UONOGXRCSA-N 1 0 308.397 2.202 50 0 DEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1C ZINC000009313562 401760934 /nfs/dbraw/zinc/76/09/34/401760934.db2.gz BGPFEKHKFDMLJE-OAHLLOKOSA-N 1 0 307.357 2.450 50 0 DEAARO COC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)(C)C)CCC2 ZINC000009365391 401761794 /nfs/dbraw/zinc/76/17/94/401761794.db2.gz XXZFEUHEPTXRFB-UHFFFAOYSA-N 1 0 310.419 2.350 50 0 DEAARO Cc1c(C)n(Cc2ccncc2)c2ncnc(NCC[NH+](C)C)c12 ZINC000009419013 401762160 /nfs/dbraw/zinc/76/21/60/401762160.db2.gz WTBFGUBRIKACFK-UHFFFAOYSA-N 1 0 324.432 2.465 50 0 DEAARO Cc1ccc(C)c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000075572731 401763126 /nfs/dbraw/zinc/76/31/26/401763126.db2.gz HVVZKLIIZCQCRD-HNNXBMFYSA-N 1 0 319.449 2.334 50 0 DEAARO Cc1ccc(NC2=[NH+][C@H](C(=O)Nc3ccccc3)C=C(O)N2)cc1 ZINC000009668441 401764825 /nfs/dbraw/zinc/76/48/25/401764825.db2.gz CNWCAJKOPWPTJJ-HNNXBMFYSA-N 1 0 322.368 2.290 50 0 DEAARO CC(=O)c1ccccc1OCCSc1nc(N)cc(N)[nH+]1 ZINC000011390935 401774167 /nfs/dbraw/zinc/77/41/67/401774167.db2.gz PVJSSPNGKJPSAG-UHFFFAOYSA-N 1 0 304.375 2.015 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1Cc1ccc(F)cc1 ZINC000012074182 401778623 /nfs/dbraw/zinc/77/86/23/401778623.db2.gz UDFKJUDBUPIQFJ-OAHLLOKOSA-N 1 0 308.422 2.412 50 0 DEAARO CCOC(=O)c1cc(C[NH2+]CCc2nc3ccccc3[nH]2)on1 ZINC000012410837 401785236 /nfs/dbraw/zinc/78/52/36/401785236.db2.gz VODLVLDCCSJPQV-UHFFFAOYSA-N 1 0 314.345 2.060 50 0 DEAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1CCc1cccc(Cl)c1 ZINC000012456253 401786402 /nfs/dbraw/zinc/78/64/02/401786402.db2.gz DEHDTDWWBSJADE-INIZCTEOSA-N 1 0 324.852 2.500 50 0 DEAARO O[C@@H]1CCCN(c2ncccc2C[NH2+]C2CCSCC2)C1 ZINC000012469724 401786615 /nfs/dbraw/zinc/78/66/15/401786615.db2.gz UOUXJTYEDOWZCF-OAHLLOKOSA-N 1 0 307.463 2.028 50 0 DEAARO Cc1cc(F)ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000076332025 401790902 /nfs/dbraw/zinc/79/09/02/401790902.db2.gz NVKJYCDTYRCMJM-ZDUSSCGKSA-N 1 0 322.428 2.139 50 0 DEAARO Nc1nc(Cl)cc(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000024056773 401829116 /nfs/dbraw/zinc/82/91/16/401829116.db2.gz RRKUHQRVWKQKNW-UHFFFAOYSA-N 1 0 317.824 2.077 50 0 DEAARO COc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C ZINC000028016208 401849390 /nfs/dbraw/zinc/84/93/90/401849390.db2.gz HIKJYRFCPODUMP-INIZCTEOSA-N 1 0 320.433 2.090 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]cc3Cl)cc2)CC1 ZINC000028243325 401851195 /nfs/dbraw/zinc/85/11/95/401851195.db2.gz OBCXRELPGLDLIP-UHFFFAOYSA-N 1 0 319.796 2.067 50 0 DEAARO CCn1nccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000028236500 401851259 /nfs/dbraw/zinc/85/12/59/401851259.db2.gz SULOTRRGZIKAFR-KRWDZBQOSA-N 1 0 312.417 2.184 50 0 DEAARO CN(C)c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000029665714 401858226 /nfs/dbraw/zinc/85/82/26/401858226.db2.gz WVTPOMFLCYLYGK-CQSZACIVSA-N 1 0 318.446 2.242 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)Cn2cccn2)c(OC)c1OC ZINC000030904377 401867202 /nfs/dbraw/zinc/86/72/02/401867202.db2.gz JTBKDOGFOGMWOL-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO COCCN1CC[N@H+](CC[C@@H](C)c2ccccc2)CCC1=O ZINC000014955066 401814740 /nfs/dbraw/zinc/81/47/40/401814740.db2.gz OYHDNMSEXRIBLU-MRXNPFEDSA-N 1 0 304.434 2.361 50 0 DEAARO CCC12CN3CC(C)(CN(C1)C31CC(C)(C)[NH2+]C(C)(C)C1)C2=O ZINC000031808928 401874170 /nfs/dbraw/zinc/87/41/70/401874170.db2.gz JQAZTLQISWQKHH-UHFFFAOYSA-N 1 0 319.493 2.240 50 0 DEAARO C[C@H]1CN=C(N2CC[NH+](CCCCCn3cccn3)CC2)S1 ZINC000079497580 401874815 /nfs/dbraw/zinc/87/48/15/401874815.db2.gz XZQMBPXSIUNWMO-HNNXBMFYSA-N 1 0 321.494 2.162 50 0 DEAARO C[C@@H]1C[C@H](NC(=O)c2csnn2)CC[N@@H+]1Cc1ccccc1 ZINC000079553356 401876164 /nfs/dbraw/zinc/87/61/64/401876164.db2.gz AKCLFBJKTPVXLD-TZMCWYRMSA-N 1 0 316.430 2.321 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000032228904 401877520 /nfs/dbraw/zinc/87/75/20/401877520.db2.gz SMCAKLHEXDOSBZ-AWEZNQCLSA-N 1 0 313.239 2.120 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000032268109 401877787 /nfs/dbraw/zinc/87/77/87/401877787.db2.gz ANXYPIKYGSZGIP-HNNXBMFYSA-N 1 0 312.360 2.051 50 0 DEAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)C3CC3)CC2)c1 ZINC000032579763 401879753 /nfs/dbraw/zinc/87/97/53/401879753.db2.gz RGKPHPUVUBRLHS-MRXNPFEDSA-N 1 0 315.461 2.422 50 0 DEAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000032648236 401880881 /nfs/dbraw/zinc/88/08/81/401880881.db2.gz FLBIGBGKHDUWHI-LBPRGKRZSA-N 1 0 300.834 2.021 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000032930884 401886533 /nfs/dbraw/zinc/88/65/33/401886533.db2.gz HYDLZIABDHNKND-KRWDZBQOSA-N 1 0 312.417 2.015 50 0 DEAARO CCC[C@H](O)C[N@H+](CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095036 401902080 /nfs/dbraw/zinc/90/20/80/401902080.db2.gz COCPOHDCHSDYDK-HNNXBMFYSA-N 1 0 311.422 2.313 50 0 DEAARO Cc1nnc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000084291494 401904350 /nfs/dbraw/zinc/90/43/50/401904350.db2.gz OCZIYLDMXKMFRL-OKILXGFUSA-N 1 0 322.453 2.089 50 0 DEAARO O=C(NC1CC1)[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000084519370 401906317 /nfs/dbraw/zinc/90/63/17/401906317.db2.gz PKWDMPYYTJIQRQ-NVXWUHKLSA-N 1 0 324.428 2.370 50 0 DEAARO C[C@@H]1COCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000044966580 401951904 /nfs/dbraw/zinc/95/19/04/401951904.db2.gz SQGXCWGZYREOEF-ZIAGYGMSSA-N 1 0 323.462 2.315 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000136487111 401968312 /nfs/dbraw/zinc/96/83/12/401968312.db2.gz YQEXKENXSRXKBA-ZFWWWQNUSA-N 1 0 305.422 2.107 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000046455647 401970289 /nfs/dbraw/zinc/97/02/89/401970289.db2.gz JHEPRDDWBHGVFN-CQSZACIVSA-N 1 0 316.380 2.430 50 0 DEAARO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000089905496 401972563 /nfs/dbraw/zinc/97/25/63/401972563.db2.gz FAHXYRCMURWCTB-CABCVRRESA-N 1 0 304.434 2.489 50 0 DEAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000048313406 401998487 /nfs/dbraw/zinc/99/84/87/401998487.db2.gz WMWSZEOFDFNWDA-UHFFFAOYSA-N 1 0 320.817 2.243 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2nncs2)C1 ZINC000047497974 401982860 /nfs/dbraw/zinc/98/28/60/401982860.db2.gz HZAHLTNWWSPCIJ-RYUDHWBXSA-N 1 0 311.455 2.418 50 0 DEAARO CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)cn1 ZINC000089305773 401941646 /nfs/dbraw/zinc/94/16/46/401941646.db2.gz JFDRWFLMFOLVKN-KRWDZBQOSA-N 1 0 312.417 2.297 50 0 DEAARO C[N@H+](CCN1CCOC1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000089346208 401942783 /nfs/dbraw/zinc/94/27/83/401942783.db2.gz WCHUOWLGRCPJSY-INIZCTEOSA-N 1 0 303.406 2.039 50 0 DEAARO Cc1ccc(NCCCNC(=O)[C@@H]2CCCCC[N@H+]2C)nc1 ZINC000095359463 402027544 /nfs/dbraw/zinc/02/75/44/402027544.db2.gz ZSQBVDBVSLWAQY-HNNXBMFYSA-N 1 0 304.438 2.183 50 0 DEAARO Cc1cc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)n(C)n1 ZINC000095364702 402028317 /nfs/dbraw/zinc/02/83/17/402028317.db2.gz VCPRKIBJIOHKLF-MRXNPFEDSA-N 1 0 312.417 2.126 50 0 DEAARO CN(CCc1noc(C2CC2)n1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095377225 402029696 /nfs/dbraw/zinc/02/96/96/402029696.db2.gz IOOUFURKYNFGPM-AWEZNQCLSA-N 1 0 320.437 2.212 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000095375205 402029992 /nfs/dbraw/zinc/02/99/92/402029992.db2.gz IYGGDKDOALZLMU-UHFFFAOYSA-N 1 0 318.465 2.242 50 0 DEAARO CNc1cc(C)[nH+]c(N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000095384594 402031039 /nfs/dbraw/zinc/03/10/39/402031039.db2.gz FVCGPLKSWNJXMB-UHFFFAOYSA-N 1 0 317.437 2.056 50 0 DEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095384175 402031259 /nfs/dbraw/zinc/03/12/59/402031259.db2.gz AKQKMSZYGQRZOJ-INIZCTEOSA-N 1 0 318.465 2.341 50 0 DEAARO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1 ZINC000095420178 402032452 /nfs/dbraw/zinc/03/24/52/402032452.db2.gz OPPCBBMPOZRWOC-GFCCVEGCSA-N 1 0 322.434 2.033 50 0 DEAARO CS[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1[NH+](C)C ZINC000095444667 402033010 /nfs/dbraw/zinc/03/30/10/402033010.db2.gz FUSQRXDOIVTXDV-HZPDHXFCSA-N 1 0 317.458 2.145 50 0 DEAARO Cc1nc2c(c(N3CC[C@@H]([NH+](C)C)C3)n1)Cc1ccccc1OC2 ZINC000095527815 402034153 /nfs/dbraw/zinc/03/41/53/402034153.db2.gz ZLWHWVHZMIXLCD-OAHLLOKOSA-N 1 0 324.428 2.409 50 0 DEAARO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000095941179 402034928 /nfs/dbraw/zinc/03/49/28/402034928.db2.gz BPHYZSCNTMTGKZ-KGLIPLIRSA-N 1 0 308.422 2.409 50 0 DEAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000095974705 402039573 /nfs/dbraw/zinc/03/95/73/402039573.db2.gz NIHLRDJQLMTERH-DAYGRLMNSA-N 1 0 315.417 2.020 50 0 DEAARO Cn1c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)nnc1-c1ccccc1 ZINC000095978826 402040774 /nfs/dbraw/zinc/04/07/74/402040774.db2.gz OQWJVKUQOCSYTH-CQSZACIVSA-N 1 0 300.406 2.217 50 0 DEAARO Cc1cnn(-c2cc[nH+]cc2NCc2cccc(C(N)=O)c2)c1 ZINC000095988527 402043284 /nfs/dbraw/zinc/04/32/84/402043284.db2.gz SSOHHPIJIJSEGU-UHFFFAOYSA-N 1 0 307.357 2.287 50 0 DEAARO CC[C@@H]1CN(Cc2cnc3ccc(C)cn23)CC[N@@H+]1CCOC ZINC000120979822 402009302 /nfs/dbraw/zinc/00/93/02/402009302.db2.gz WFUXSQKQUYDBOF-MRXNPFEDSA-N 1 0 316.449 2.185 50 0 DEAARO CC[C@H](Nc1cccc(OC)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000055108426 402075924 /nfs/dbraw/zinc/07/59/24/402075924.db2.gz AHKLFASWKIGHQI-KRWDZBQOSA-N 1 0 319.449 2.488 50 0 DEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCSc2nc[nH]n2)cc1 ZINC000055100229 402076125 /nfs/dbraw/zinc/07/61/25/402076125.db2.gz LMYIJRDZZWGZQN-UHFFFAOYSA-N 1 0 318.381 2.216 50 0 DEAARO COC(=O)c1ccc(/C=C\C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000096295250 402076873 /nfs/dbraw/zinc/07/68/73/402076873.db2.gz SZUBPEUBIWNOMV-HWYHOQROSA-N 1 0 316.401 2.085 50 0 DEAARO Cc1nnc(CCC(=O)N(CC[NH+]2CCCCCC2)C(C)C)[nH]1 ZINC000055253615 402078240 /nfs/dbraw/zinc/07/82/40/402078240.db2.gz OMIQJUGUYQBRLB-UHFFFAOYSA-N 1 0 321.469 2.159 50 0 DEAARO CC(C)(C)SCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096412726 402080423 /nfs/dbraw/zinc/08/04/23/402080423.db2.gz GLBMRSIZCHREGS-ZDUSSCGKSA-N 1 0 314.495 2.135 50 0 DEAARO Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000096430756 402085147 /nfs/dbraw/zinc/08/51/47/402085147.db2.gz IVZZWMUOTUQCJI-YJBOKZPZSA-N 1 0 316.445 2.453 50 0 DEAARO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc[nH]n3)cc2)C1 ZINC000096443930 402088252 /nfs/dbraw/zinc/08/82/52/402088252.db2.gz SRQUXTLNAOBKPD-ZDUSSCGKSA-N 1 0 314.389 2.383 50 0 DEAARO CC(C)[N@H+](C)CC(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000096466490 402092555 /nfs/dbraw/zinc/09/25/55/402092555.db2.gz BUOXJUMKBMBSNK-ZDUSSCGKSA-N 1 0 306.431 2.391 50 0 DEAARO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(-n2cnnn2)cc1 ZINC000096476520 402093571 /nfs/dbraw/zinc/09/35/71/402093571.db2.gz 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402100269 /nfs/dbraw/zinc/10/02/69/402100269.db2.gz YFRWPJMZGDHUFX-DOTOQJQBSA-N 1 0 300.402 2.077 50 0 DEAARO CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000058341665 402100495 /nfs/dbraw/zinc/10/04/95/402100495.db2.gz NDNSWXNBMAAKJW-MRXNPFEDSA-N 1 0 317.433 2.478 50 0 DEAARO CCc1c(C)[nH+]c2ccccc2c1N1CCN2C(=O)NC[C@H]2C1 ZINC000097046804 402102586 /nfs/dbraw/zinc/10/25/86/402102586.db2.gz KTNSMUBILUOJCL-ZDUSSCGKSA-N 1 0 310.401 2.319 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(F)cn1 ZINC000097081350 402104595 /nfs/dbraw/zinc/10/45/95/402104595.db2.gz ARJOVEIWMSQNIV-INIZCTEOSA-N 1 0 316.380 2.185 50 0 DEAARO CC(C)[NH+]1CCC(Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000097082122 402104822 /nfs/dbraw/zinc/10/48/22/402104822.db2.gz UZHIGNMFGRAKAO-UHFFFAOYSA-N 1 0 319.449 2.438 50 0 DEAARO CC[C@@H]1Oc2ccc(C(C)=O)cc2N(CCC[NH+](C)C)C1=O ZINC000061997435 402109124 /nfs/dbraw/zinc/10/91/24/402109124.db2.gz AWIVIQQWZRJVEV-HNNXBMFYSA-N 1 0 304.390 2.345 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000097159346 402111907 /nfs/dbraw/zinc/11/19/07/402111907.db2.gz ALMXGBZJSAYDCR-QGZVFWFLSA-N 1 0 318.396 2.020 50 0 DEAARO C[NH2+]CC(=O)Nc1cccc(C(=O)Nc2cccc(OC)c2)c1 ZINC000063846676 402116638 /nfs/dbraw/zinc/11/66/38/402116638.db2.gz JCAOAZUOJPKHLA-UHFFFAOYSA-N 1 0 313.357 2.105 50 0 DEAARO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000097237784 402119786 /nfs/dbraw/zinc/11/97/86/402119786.db2.gz VJRMKIZZGRAKBP-UHFFFAOYSA-N 1 0 316.409 2.071 50 0 DEAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000097527381 402126981 /nfs/dbraw/zinc/12/69/81/402126981.db2.gz IMJTVGNJTYXMKP-CQSZACIVSA-N 1 0 309.406 2.449 50 0 DEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2ccc(F)cc2F)C1 ZINC000097619205 402128517 /nfs/dbraw/zinc/12/85/17/402128517.db2.gz IAJDHHLRSNFJDL-AWEZNQCLSA-N 1 0 312.360 2.080 50 0 DEAARO CSc1cccc(CN(C)C(=O)C2CC[NH+](CCO)CC2)c1 ZINC000097657127 402129273 /nfs/dbraw/zinc/12/92/73/402129273.db2.gz FPEUWHMUWJQOFW-UHFFFAOYSA-N 1 0 322.474 2.071 50 0 DEAARO Cc1nc(C)c(CC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC000097675539 402129925 /nfs/dbraw/zinc/12/99/25/402129925.db2.gz JXYHESQHHQVHRJ-BBRMVZONSA-N 1 0 301.415 2.043 50 0 DEAARO c1cnn(C[C@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)c1 ZINC000067946540 402179675 /nfs/dbraw/zinc/17/96/75/402179675.db2.gz RXQLXCDDJDXFNE-KRWDZBQOSA-N 1 0 320.400 2.172 50 0 DEAARO Cc1[nH+]c(N(C)C)nc(NCc2n[nH]c(=O)c3ccccc23)c1C ZINC000067954552 402180424 /nfs/dbraw/zinc/18/04/24/402180424.db2.gz ZVXUCYNMGOSNPQ-UHFFFAOYSA-N 1 0 324.388 2.008 50 0 DEAARO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000124451343 402180417 /nfs/dbraw/zinc/18/04/17/402180417.db2.gz ZTCYEIOJJQZTBJ-GFCCVEGCSA-N 1 0 315.442 2.476 50 0 DEAARO CCn1c(=O)n(CCCc2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067434212 402158797 /nfs/dbraw/zinc/15/87/97/402158797.db2.gz FGBHMNPQDFSRIJ-MRXNPFEDSA-N 1 0 314.433 2.165 50 0 DEAARO CCn1cncc1CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067460007 402160013 /nfs/dbraw/zinc/16/00/13/402160013.db2.gz 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402170620 /nfs/dbraw/zinc/17/06/20/402170620.db2.gz SXOYWSYKXWHXMN-LLVKDONJSA-N 1 0 302.465 2.060 50 0 DEAARO CCn1nc(C)cc1C(=O)NCC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000067873000 402177044 /nfs/dbraw/zinc/17/70/44/402177044.db2.gz CHVDDUAPAIRQDX-HNNXBMFYSA-N 1 0 306.454 2.452 50 0 DEAARO C[C@H](c1ccc(-c2cncc(C(N)=O)c2)cc1)[NH+]1CCOCC1 ZINC000067894907 402177187 /nfs/dbraw/zinc/17/71/87/402177187.db2.gz BAPSQHJMQVHBBK-CYBMUJFWSA-N 1 0 311.385 2.241 50 0 DEAARO CN(C[C@H](NC(=O)C1CC1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000069326057 402218338 /nfs/dbraw/zinc/21/83/38/402218338.db2.gz VHLUKNDYQHQHLR-SFHVURJKSA-N 1 0 315.461 2.280 50 0 DEAARO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H](C)n1cccn1 ZINC000069349667 402219607 /nfs/dbraw/zinc/21/96/07/402219607.db2.gz PRNRJFJNXVZVKQ-QWRGUYRKSA-N 1 0 301.316 2.381 50 0 DEAARO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H](C)n1cccn1 ZINC000069437990 402223418 /nfs/dbraw/zinc/22/34/18/402223418.db2.gz JSKQWZKLIRPAHL-HOTGVXAUSA-N 1 0 314.433 2.459 50 0 DEAARO COCC[N@H+](C)CCNC(=O)CCSc1ccccc1F ZINC000069485538 402225705 /nfs/dbraw/zinc/22/57/05/402225705.db2.gz XMEMMVSXXVMKRF-UHFFFAOYSA-N 1 0 314.426 2.002 50 0 DEAARO CCn1nc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000069489775 402226602 /nfs/dbraw/zinc/22/66/02/402226602.db2.gz YKQNUHLLBGXBJD-CABCVRRESA-N 1 0 304.438 2.219 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1Br ZINC000069527498 402228625 /nfs/dbraw/zinc/22/86/25/402228625.db2.gz MNAVEJXPXJQNNX-NEPJUHHUSA-N 1 0 313.239 2.430 50 0 DEAARO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000069531236 402229292 /nfs/dbraw/zinc/22/92/92/402229292.db2.gz ROVZLDIPWBZMMG-UHFFFAOYSA-N 1 0 307.482 2.243 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1nc(C)no1 ZINC000069528716 402229343 /nfs/dbraw/zinc/22/93/43/402229343.db2.gz IDBSUNFKKJUXIC-CABCVRRESA-N 1 0 320.437 2.176 50 0 DEAARO O=C(CNc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069535268 402229664 /nfs/dbraw/zinc/22/96/64/402229664.db2.gz LLKUZCIYKZJUPK-HUUCEWRRSA-N 1 0 307.825 2.495 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000107323695 402230218 /nfs/dbraw/zinc/23/02/18/402230218.db2.gz VBQPMKVHVFXMFV-BNOWGMLFSA-N 1 0 308.426 2.312 50 0 DEAARO CNc1snc(C)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069560315 402231118 /nfs/dbraw/zinc/23/11/18/402231118.db2.gz LLOYFPBPHHXCSR-RYUDHWBXSA-N 1 0 308.451 2.192 50 0 DEAARO C[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)C(=O)NCCc1cccs1 ZINC000069582887 402232582 /nfs/dbraw/zinc/23/25/82/402232582.db2.gz NWNYMNPDCYEOPJ-IHRRRGAJSA-N 1 0 320.462 2.231 50 0 DEAARO Cc1ccccc1OCCN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000069624330 402235418 /nfs/dbraw/zinc/23/54/18/402235418.db2.gz IOSYSFKVBCFOKE-SFHVURJKSA-N 1 0 320.477 2.398 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1C ZINC000069667810 402237871 /nfs/dbraw/zinc/23/78/71/402237871.db2.gz WQIDVJQHZUIBOA-CABCVRRESA-N 1 0 304.438 2.126 50 0 DEAARO c1ccc(C2(C[NH2+]Cc3cnc(N4CCOCC4)nc3)CC2)cc1 ZINC000069675183 402238191 /nfs/dbraw/zinc/23/81/91/402238191.db2.gz UCZCAJCBFFJYMU-UHFFFAOYSA-N 1 0 324.428 2.135 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069701428 402239189 /nfs/dbraw/zinc/23/91/89/402239189.db2.gz BIPPWBQVHDBNTI-CQSZACIVSA-N 1 0 303.406 2.100 50 0 DEAARO O=C(NCCn1ccnc1)Nc1cc2c(cc1Cl)OCO2 ZINC000125607620 402241819 /nfs/dbraw/zinc/24/18/19/402241819.db2.gz KZQZJPADEHRQAH-UHFFFAOYSA-N 1 0 308.725 2.087 50 0 DEAARO COC(=O)c1ccccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069739641 402242077 /nfs/dbraw/zinc/24/20/77/402242077.db2.gz PWJWRJCAGJYOMP-ZDUSSCGKSA-N 1 0 317.389 2.175 50 0 DEAARO CCc1nnc2n1C[C@@H](C[NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000069849111 402247840 /nfs/dbraw/zinc/24/78/40/402247840.db2.gz SKHPDYLZBBLIJI-CQSZACIVSA-N 1 0 324.428 2.469 50 0 DEAARO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1F ZINC000069871059 402248097 /nfs/dbraw/zinc/24/80/97/402248097.db2.gz YQTXXBNROOVDCD-CQSZACIVSA-N 1 0 316.380 2.383 50 0 DEAARO COc1ccc([C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1Cl ZINC000069869761 402248426 /nfs/dbraw/zinc/24/84/26/402248426.db2.gz JRBWJEAKUMVAOM-OLZOCXBDSA-N 1 0 312.841 2.408 50 0 DEAARO CCc1nnsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC ZINC000069895025 402249537 /nfs/dbraw/zinc/24/95/37/402249537.db2.gz URLQUPNHIWCSBF-CHWSQXEVSA-N 1 0 308.451 2.189 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2ccccc2F)C[C@@H]1C ZINC000070016766 402254817 /nfs/dbraw/zinc/25/48/17/402254817.db2.gz AQCZTFLBZUUFJO-HNNXBMFYSA-N 1 0 310.413 2.247 50 0 DEAARO Cc1nc(CN2CCCN(C(=O)c3cc[nH]c3)CC2)cs1 ZINC000109284642 402270616 /nfs/dbraw/zinc/27/06/16/402270616.db2.gz UJCIBLWSSAIEFY-UHFFFAOYSA-N 1 0 304.419 2.128 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000071747101 402276638 /nfs/dbraw/zinc/27/66/38/402276638.db2.gz QNYOANYWVASXPZ-HTQZYQBOSA-N 1 0 309.218 2.152 50 0 DEAARO CN1C[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CCC1=O ZINC000225807114 402324187 /nfs/dbraw/zinc/32/41/87/402324187.db2.gz LOHXGNCPEYBGQU-SECBINFHSA-N 1 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ZINC000229473319 402343056 /nfs/dbraw/zinc/34/30/56/402343056.db2.gz XPJOMECYWFNVNW-GDBMZVCRSA-N 1 0 317.433 2.192 50 0 DEAARO c1ccc(-c2ccnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2)cc1 ZINC000244763828 402449418 /nfs/dbraw/zinc/44/94/18/402449418.db2.gz OWEVKRVUEFPGEA-MRXNPFEDSA-N 1 0 324.428 2.302 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237581910 402413927 /nfs/dbraw/zinc/41/39/27/402413927.db2.gz DTCGXONNPAXQKY-NSHDSACASA-N 1 0 318.808 2.268 50 0 DEAARO COC1(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCC1 ZINC000241586388 402443473 /nfs/dbraw/zinc/44/34/73/402443473.db2.gz OVNZUGDPXVWVLO-INIZCTEOSA-N 1 0 304.434 2.235 50 0 DEAARO Cc1cc(F)ccc1C(=O)N[C@@H]([C@H]1C[C@@H](O)C1)C1CC[NH2+]CC1 ZINC000243932735 402447113 /nfs/dbraw/zinc/44/71/13/402447113.db2.gz BYUUDCSDPVYWMI-UKPHBRMFSA-N 1 0 320.408 2.003 50 0 DEAARO CNc1cc([C@H]2C[C@@H](Nc3cnc4ccccc4n3)C2)[nH+]c(N)n1 ZINC000244659539 402447772 /nfs/dbraw/zinc/44/77/72/402447772.db2.gz HELCHSVULLETOG-PHIMTYICSA-N 1 0 321.388 2.402 50 0 DEAARO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NCCc1ccccc1 ZINC000244673680 402448068 /nfs/dbraw/zinc/44/80/68/402448068.db2.gz HTTDCANDSVCIFJ-UHFFFAOYSA-N 1 0 316.445 2.238 50 0 DEAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)CC1CCCC1 ZINC000178283373 402479632 /nfs/dbraw/zinc/47/96/32/402479632.db2.gz KQYJJPOMTDHBOV-UHFFFAOYSA-N 1 0 310.463 2.358 50 0 DEAARO CC(C)[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000170073220 402502993 /nfs/dbraw/zinc/50/29/93/402502993.db2.gz AXHDFYHQZWPKKU-FZMZJTMJSA-N 1 0 303.374 2.439 50 0 DEAARO C[C@H](C[NH+]1CCN(Cc2nccn2C)CC1)c1ccc(F)cc1 ZINC000170603012 402506598 /nfs/dbraw/zinc/50/65/98/402506598.db2.gz VAGORBQNOMYVMK-OAHLLOKOSA-N 1 0 316.424 2.481 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000178534047 402508306 /nfs/dbraw/zinc/50/83/06/402508306.db2.gz VIUVXVUMNCJNHF-ZDUSSCGKSA-N 1 0 311.385 2.178 50 0 DEAARO C[N@H+](C[C@@H](O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247050352 402554932 /nfs/dbraw/zinc/55/49/32/402554932.db2.gz 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ZINC000252675533 402660733 /nfs/dbraw/zinc/66/07/33/402660733.db2.gz UHEVMBATJAAUEU-FRRDWIJNSA-N 1 0 308.426 2.320 50 0 DEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000253432714 402666730 /nfs/dbraw/zinc/66/67/30/402666730.db2.gz MZFPVTNQWQLRRT-PMPSAXMXSA-N 1 0 304.459 2.443 50 0 DEAARO CC1=C2C[C@H]([C@]3([NH3+])CC4(CC4)NC3=O)[C@H](O)C[C@]2(C)CCC1 ZINC000253470774 402666957 /nfs/dbraw/zinc/66/69/57/402666957.db2.gz CZASCEJNNSBZGY-JSSFPYSZSA-N 1 0 304.434 2.014 50 0 DEAARO CC[C@]1(O)CCOC2(CC[NH+](Cc3cccc(OC)n3)CC2)C1 ZINC000257176048 402700574 /nfs/dbraw/zinc/70/05/74/402700574.db2.gz ROYYIIGNHLFRTG-KRWDZBQOSA-N 1 0 320.433 2.376 50 0 DEAARO Cc1ccc(C)c(CN2CCn3c(nn(CC4CC4)c3=O)C2)c1 ZINC000257184805 402701139 /nfs/dbraw/zinc/70/11/39/402701139.db2.gz IYDAYFMRXJBSCY-UHFFFAOYSA-N 1 0 312.417 2.087 50 0 DEAARO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183771679 402796419 /nfs/dbraw/zinc/79/64/19/402796419.db2.gz QNCDNLMZDLPLEN-DJIMGWMZSA-N 1 0 304.434 2.347 50 0 DEAARO O=C(NCCOCc1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000195533325 402850715 /nfs/dbraw/zinc/85/07/15/402850715.db2.gz XKJAZWCPPASTPZ-IRXDYDNUSA-N 1 0 317.433 2.129 50 0 DEAARO O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000270509957 403197197 /nfs/dbraw/zinc/19/71/97/403197197.db2.gz CSEQRCRNCPNYKA-KSZLIROESA-N 1 0 314.429 2.094 50 0 DEAARO Cc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1F ZINC000299771603 403570704 /nfs/dbraw/zinc/57/07/04/403570704.db2.gz RLBUWOIWXBXCJZ-CQSZACIVSA-N 1 0 309.385 2.102 50 0 DEAARO CC[C@H](C(=O)NCc1nc2cc(OC)ccc2o1)[NH+]1CCCC1 ZINC000299785774 403574306 /nfs/dbraw/zinc/57/43/06/403574306.db2.gz NMYIQAMRZBNTRT-CQSZACIVSA-N 1 0 317.389 2.327 50 0 DEAARO COc1cccc(C(=O)N(C)CC2CCC2)c1OCCC[NH3+] ZINC000299784851 403574557 /nfs/dbraw/zinc/57/45/57/403574557.db2.gz QLBQEHPRUJRSQH-UHFFFAOYSA-N 1 0 306.406 2.295 50 0 DEAARO CO[C@]12CC[N@H+](Cc3nc(C)n4ccccc34)[C@H]1C[C@@H](O)CC2 ZINC000299792058 403577382 /nfs/dbraw/zinc/57/73/82/403577382.db2.gz DLZQTIKWHQIBEY-JCGIZDLHSA-N 1 0 315.417 2.147 50 0 DEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](CCCn3ccnc3C)[C@H]2C1 ZINC000299800848 403579310 /nfs/dbraw/zinc/57/93/10/403579310.db2.gz JCIOCLQQDWQWSA-YESZJQIVSA-N 1 0 307.438 2.240 50 0 DEAARO Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)n(-c2ccccc2)n1 ZINC000299802012 403579398 /nfs/dbraw/zinc/57/93/98/403579398.db2.gz ZSQFPCAZGWNGJI-DZGCQCFKSA-N 1 0 311.389 2.006 50 0 DEAARO CCCCc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)[nH]1 ZINC000299802759 403579465 /nfs/dbraw/zinc/57/94/65/403579465.db2.gz OZLHZCBYWGIGEF-HLLBOEOZSA-N 1 0 307.438 2.257 50 0 DEAARO O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304321419 403780780 /nfs/dbraw/zinc/78/07/80/403780780.db2.gz IWDIWOTZZHYWPD-KZNAEPCWSA-N 1 0 316.445 2.318 50 0 DEAARO CC(C)(C)n1cc(C[NH2+]C[C@@](C)(CO)c2ccccc2)nn1 ZINC000342211154 404444621 /nfs/dbraw/zinc/44/46/21/404444621.db2.gz MYOYTEFSBZRSGO-KRWDZBQOSA-N 1 0 302.422 2.073 50 0 DEAARO C[C@H](CN1CCOCC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000367680130 405123116 /nfs/dbraw/zinc/12/31/16/405123116.db2.gz ZXQPMYGQUCNITM-MRXNPFEDSA-N 1 0 303.450 2.057 50 0 DEAARO CNC(=O)Cn1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cn1 ZINC000426402125 405357774 /nfs/dbraw/zinc/35/77/74/405357774.db2.gz WYYQOOGUKFZMCF-AWEZNQCLSA-N 1 0 312.417 2.453 50 0 DEAARO Cc1cc(=O)cc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000426429769 405359115 /nfs/dbraw/zinc/35/91/15/405359115.db2.gz HSHZXMBTWZCIPH-CQSZACIVSA-N 1 0 317.433 2.068 50 0 DEAARO CCc1cc(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)on1 ZINC000426435235 405359905 /nfs/dbraw/zinc/35/99/05/405359905.db2.gz AGRRXZPKEGIAPV-LBPRGKRZSA-N 1 0 306.410 2.005 50 0 DEAARO [NH3+]CCOc1cccc(C(=O)N[C@@H]2COC3(C2)CCCCC3)c1 ZINC000426684596 405374422 /nfs/dbraw/zinc/37/44/22/405374422.db2.gz ZKIQBQRTEBJZFD-HNNXBMFYSA-N 1 0 318.417 2.246 50 0 DEAARO CC[N@H+](C)[C@@H](C)C(=O)NCc1cc(-c2cccc(F)c2)no1 ZINC000426690242 405374433 /nfs/dbraw/zinc/37/44/33/405374433.db2.gz GUBXFLWXGROPKD-NSHDSACASA-N 1 0 305.353 2.437 50 0 DEAARO C[C@H](CCC(=O)NCc1ccc2[nH]cnc2c1)[NH+]1CCCC1 ZINC000426717056 405375510 /nfs/dbraw/zinc/37/55/10/405375510.db2.gz YAOPFGXKXCVDBV-CYBMUJFWSA-N 1 0 300.406 2.444 50 0 DEAARO CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(=O)N1CCOCC1 ZINC000488411743 406318609 /nfs/dbraw/zinc/31/86/09/406318609.db2.gz KQWCDCVJIQJWRM-HZSPNIEDSA-N 1 0 314.495 2.134 50 0 DEAARO Cc1ccc(CN2C[C@@H](Oc3ccccc3)C[C@H]2C(N)=O)o1 ZINC000575553370 406812655 /nfs/dbraw/zinc/81/26/55/406812655.db2.gz XPGQDXWYYUMGDD-HOTGVXAUSA-N 1 0 300.358 2.095 50 0 DEAARO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C(C)(C)C ZINC000328597184 286754707 /nfs/dbraw/zinc/75/47/07/286754707.db2.gz FISQJCFVGMDVID-KBPBESRZSA-N 1 0 309.454 2.322 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC000133186804 196318634 /nfs/dbraw/zinc/31/86/34/196318634.db2.gz BLEYYOWEZBIUFQ-CQSZACIVSA-N 1 0 320.433 2.192 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000237950926 225213317 /nfs/dbraw/zinc/21/33/17/225213317.db2.gz JDRBSXDAXWLKPK-GGZOMVNGSA-N 1 0 317.216 2.270 50 0 DEAARO O=C(NC1CC[NH+](C2CC2)CC1)c1c(Cl)nc2ccccn21 ZINC000047297674 424824654 /nfs/dbraw/zinc/82/46/54/424824654.db2.gz MBGNUZOCLNYRCE-UHFFFAOYSA-N 1 0 318.808 2.344 50 0 DEAARO CN(Cc1sccc1Br)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000121805554 424854420 /nfs/dbraw/zinc/85/44/20/424854420.db2.gz KATRJCKBKDYSMH-SECBINFHSA-N 1 0 317.252 2.469 50 0 DEAARO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000657841878 425407492 /nfs/dbraw/zinc/40/74/92/425407492.db2.gz AJNVURZHKWOUBH-SNVBAGLBSA-N 1 0 320.405 2.364 50 0 DEAARO Cc1cc2nc(C)cc(N3CC[NH2+][C@H](c4ccccc4)C3)n2n1 ZINC000072411434 274730181 /nfs/dbraw/zinc/73/01/81/274730181.db2.gz JBVUKMIZVGLKNK-INIZCTEOSA-N 1 0 307.401 2.497 50 0 DEAARO Cc1nc2ncnn2c(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000015786654 274854536 /nfs/dbraw/zinc/85/45/36/274854536.db2.gz OEOILRPHYJTWSC-UHFFFAOYSA-N 1 0 322.416 2.063 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000097514995 276341218 /nfs/dbraw/zinc/34/12/18/276341218.db2.gz IZQQFFFDNQDVAX-AWEZNQCLSA-N 1 0 300.406 2.428 50 0 DEAARO C[C@@H]1C[NH+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000020683475 278767232 /nfs/dbraw/zinc/76/72/32/278767232.db2.gz PRSOKTOCHJPNBN-ABUUNCLJSA-N 1 0 323.477 2.442 50 0 DEAARO C[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)n1ccnc1 ZINC000106135163 279229877 /nfs/dbraw/zinc/22/98/77/279229877.db2.gz IRGAOAOQQCTCGN-BFYDXBDKSA-N 1 0 312.417 2.396 50 0 DEAARO O=C([C@H]1CCC[NH2+]1)N(Cc1nccs1)Cc1ccccc1 ZINC000055182605 280131157 /nfs/dbraw/zinc/13/11/57/280131157.db2.gz LDTHUHXEEAYEGA-CQSZACIVSA-N 1 0 301.415 2.424 50 0 DEAARO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CC1(O)CCCC1 ZINC000089478707 298156223 /nfs/dbraw/zinc/15/62/23/298156223.db2.gz AKKYLPAJWYKGRS-CQSZACIVSA-N 1 0 322.424 2.110 50 0 DEAARO CCC(CC)Nc1cc[nH+]cc1NC(=O)CCc1cnn(C)c1 ZINC000576149719 326272606 /nfs/dbraw/zinc/27/26/06/326272606.db2.gz LXIHKHZMWJDLCC-UHFFFAOYSA-N 1 0 315.421 2.409 50 0 DEAARO O=C1CC2(CN1)CC[NH+](CCCCOc1ccccc1)CC2 ZINC000075014174 331946665 /nfs/dbraw/zinc/94/66/65/331946665.db2.gz WRPHUSBIIZVKTQ-UHFFFAOYSA-N 1 0 302.418 2.448 50 0 DEAARO O=C(NCCc1ncc[nH]1)C1([NH+]2CCCCC2)CCCCC1 ZINC000534589052 334293548 /nfs/dbraw/zinc/29/35/48/334293548.db2.gz JEFQEKJHJKOFED-UHFFFAOYSA-N 1 0 304.438 2.257 50 0 DEAARO CCCn1ccnc1CNC(=O)N(C)CC[NH+]1CCCCCC1 ZINC000534591450 334294400 /nfs/dbraw/zinc/29/44/00/334294400.db2.gz GUEWAGCECRESIC-UHFFFAOYSA-N 1 0 321.469 2.311 50 0 DEAARO OCC1CC[NH+](CCNc2cccc(C(F)(F)F)n2)CC1 ZINC000534646508 334306103 /nfs/dbraw/zinc/30/61/03/334306103.db2.gz STRRVDHEIABQAW-UHFFFAOYSA-N 1 0 303.328 2.217 50 0 DEAARO C[C@H](CN1CCOCC1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000534658222 334314645 /nfs/dbraw/zinc/31/46/45/334314645.db2.gz ZMUXGTGGOFPJLG-OAHLLOKOSA-N 1 0 321.440 2.105 50 0 DEAARO C[C@@H](c1ccccc1Cl)N(C(=O)C[C@H](C[NH3+])CO)C1CC1 ZINC000328598358 534124850 /nfs/dbraw/zinc/12/48/50/534124850.db2.gz LTLCDTZQLBYZJU-NWDGAFQWSA-N 1 0 310.825 2.349 50 0 DEAARO C/C=C\c1ccc(OCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC000429381089 526343352 /nfs/dbraw/zinc/34/33/52/526343352.db2.gz RBYBORKQZNQOOH-YOQOKRQFSA-N 1 0 318.417 2.316 50 0 DEAARO CC1(C)OC(=O)c2c1cccc2C(=O)NCC[NH+]1CCCCC1 ZINC000408518084 527794647 /nfs/dbraw/zinc/79/46/47/527794647.db2.gz SYXQWQWKESZJJL-UHFFFAOYSA-N 1 0 316.401 2.308 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@H]1CCO ZINC000104519905 633745688 /nfs/dbraw/zinc/74/56/88/633745688.db2.gz CZHDEHFPDKKDDH-MRXNPFEDSA-N 1 0 308.470 2.058 50 0 DEAARO O=C(Nc1cccnc1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000888096810 635535018 /nfs/dbraw/zinc/53/50/18/635535018.db2.gz RVTVDYCXOOHXNS-FVQHAEBGSA-N 1 0 308.385 2.334 50 0 DEAARO CO[C@@H](C)c1c(-c2ccccc2)ncn1C[C@@]1(O)CC[N@H+](C)C1 ZINC000888097444 635541032 /nfs/dbraw/zinc/54/10/32/635541032.db2.gz JAKCXIMUWFOSKC-KBXCAEBGSA-N 1 0 315.417 2.324 50 0 DEAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC000012034489 635963498 /nfs/dbraw/zinc/96/34/98/635963498.db2.gz JNVVCUWBKSTAIZ-QGZVFWFLSA-N 1 0 320.408 2.475 50 0 DEAARO COCc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000067673973 640603363 /nfs/dbraw/zinc/60/33/63/640603363.db2.gz HMPZOYMKRKOKBB-SFHVURJKSA-N 1 0 304.434 2.417 50 0 DEAARO c1cc(-c2noc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc2c1OCC2 ZINC000874434919 648090990 /nfs/dbraw/zinc/09/09/90/648090990.db2.gz HLKLAQBFVXTLNU-HIFRSBDPSA-N 1 0 313.357 2.207 50 0 DEAARO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(C)c1C ZINC000019536305 683859191 /nfs/dbraw/zinc/85/91/91/683859191.db2.gz IFZHSFXLDNNMOM-UHFFFAOYSA-N 1 0 312.417 2.424 50 0 DEAARO O=c1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc[nH]1 ZINC000864088067 686616366 /nfs/dbraw/zinc/61/63/66/686616366.db2.gz WTACNVLCHYVVNS-UHFFFAOYSA-N 1 0 313.279 2.413 50 0 DEAARO C[C@@]1(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CCC(=O)NC1 ZINC000585127263 790321243 /nfs/dbraw/zinc/32/12/43/790321243.db2.gz VOULQBLIANWOIP-GOSISDBHSA-N 1 0 324.384 2.102 50 0 DEAARO COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000675012273 778332645 /nfs/dbraw/zinc/33/26/45/778332645.db2.gz YLTYADQQEOZCKD-XOKHGSTOSA-N 1 0 313.401 2.288 50 0 DEAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)c1ccoc1 ZINC000828827019 783862253 /nfs/dbraw/zinc/86/22/53/783862253.db2.gz DMNMCCBTGDNFMU-ZDUSSCGKSA-N 1 0 318.373 2.007 50 0 DEAARO COC1CC[NH+](C[C@H]2CCCCCN2C(=O)NC(C)C)CC1 ZINC000581787871 784776533 /nfs/dbraw/zinc/77/65/33/784776533.db2.gz FWQUIMKWOWJGPY-OAHLLOKOSA-N 1 0 311.470 2.460 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)Cc2ccccc2)CC12CCOCC2 ZINC000581801731 784780655 /nfs/dbraw/zinc/78/06/55/784780655.db2.gz FXEWQULOFFSVPJ-UHFFFAOYSA-N 1 0 316.445 2.333 50 0 DEAARO CO[C@H]1CN(C2CC[NH+](C3CCC3)CC2)[C@H]1c1ccncc1 ZINC000581812586 784783522 /nfs/dbraw/zinc/78/35/22/784783522.db2.gz ACGYNWRSFHVVTD-ROUUACIJSA-N 1 0 301.434 2.470 50 0 DEAARO C[C@H]1C[C@@H]([NH2+]Cc2sccc2Br)CC(=O)N1 ZINC000585118265 789704571 /nfs/dbraw/zinc/70/45/71/789704571.db2.gz IOJJSPPFVVWEAI-JGVFFNPUSA-N 1 0 303.225 2.267 50 0 DEAARO COc1ccc2c(c1)CN(C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C2 ZINC000952847868 792776557 /nfs/dbraw/zinc/77/65/57/792776557.db2.gz WHOOORZXSQISHB-MRXNPFEDSA-N 1 0 317.433 2.499 50 0 DEAARO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cnn(C)n1 ZINC000952876868 792791866 /nfs/dbraw/zinc/79/18/66/792791866.db2.gz ZOCLIDFKCZZDPH-CYZMBNFOSA-N 1 0 323.441 2.158 50 0 DEAARO CCOCC[NH+]1CCC(CNC(=O)c2cc(C)oc2C)CC1 ZINC000952964528 792813185 /nfs/dbraw/zinc/81/31/85/792813185.db2.gz AMFRMMZITHMWRB-UHFFFAOYSA-N 1 0 308.422 2.375 50 0 DEAARO Fc1ccc(CN2CCN3[C@@H](COC[C@@H]3C3CC3)C2)cc1F ZINC001529109509 1070859299 /nfs/dbraw/zinc/85/92/99/1070859299.db2.gz BWFMHMQQQHBSSQ-RHSMWYFYSA-N 1 0 308.372 2.260 50 0 DEAARO CC[C@@H]1CN(c2nc(C)c(C)cc2C(N)=O)CC[N@@H+]1C(C)C ZINC001529155598 1070887859 /nfs/dbraw/zinc/88/78/59/1070887859.db2.gz VLVUPHKRPUNWHL-CQSZACIVSA-N 1 0 304.438 2.106 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC001506396403 1061937065 /nfs/dbraw/zinc/93/70/65/1061937065.db2.gz AAEWZXWNOSQHOB-INIZCTEOSA-N 1 0 319.424 2.313 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNc1ncccc1C(F)(F)F ZINC001506397409 1061937311 /nfs/dbraw/zinc/93/73/11/1061937311.db2.gz RMQAJCIZUGVWJR-LLVKDONJSA-N 1 0 303.328 2.359 50 0 DEAARO Cc1cc(C)n(C2C[NH+]([C@H]3CCC(=O)N(CC4CC4)CC3)C2)n1 ZINC001506405054 1061947365 /nfs/dbraw/zinc/94/73/65/1061947365.db2.gz BTLNTJLKGJJFEP-INIZCTEOSA-N 1 0 316.449 2.148 50 0 DEAARO Cc1nnc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001506414946 1061958025 /nfs/dbraw/zinc/95/80/25/1061958025.db2.gz SYTBGUWNRZVAEG-UHFFFAOYSA-N 1 0 313.449 2.457 50 0 DEAARO CCN1C[C@H](C[N@H+](C)CC(=O)NC2CCCCCCC2)CC1=O ZINC000823102327 1090663891 /nfs/dbraw/zinc/66/38/91/1090663891.db2.gz AZKCMYUHBLWVIY-HNNXBMFYSA-N 1 0 323.481 2.016 50 0 DEAARO CC(C)c1nc([C@H]2CC(=O)N(CC[NH+](C)C)C2)n(C(C)(C)C)n1 ZINC000823698181 1090695217 /nfs/dbraw/zinc/69/52/17/1090695217.db2.gz UMUUGTMGXKWFRG-ZDUSSCGKSA-N 1 0 321.469 2.034 50 0 DEAARO CCCNc1ncc(CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cn1 ZINC000095529005 185378369 /nfs/dbraw/zinc/37/83/69/185378369.db2.gz YPZYTRIGUZEKAT-JKSUJKDBSA-N 1 0 305.470 2.317 50 0 DEAARO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@H]2CCO)C2CC2)o1 ZINC000078922921 185129402 /nfs/dbraw/zinc/12/94/02/185129402.db2.gz XSVSUXXWYYJXRZ-HNNXBMFYSA-N 1 0 320.433 2.316 50 0 DEAARO Cc1ccc(CNC(=O)CN2CCc3sccc3C2)n1C ZINC000079042799 185148272 /nfs/dbraw/zinc/14/82/72/185148272.db2.gz HZZFJPRNNOCGPO-UHFFFAOYSA-N 1 0 303.431 2.070 50 0 DEAARO C[C@H](c1ccccc1Cl)N(C(=O)C[C@H](C[NH3+])CO)C1CC1 ZINC000328598360 231238724 /nfs/dbraw/zinc/23/87/24/231238724.db2.gz LTLCDTZQLBYZJU-VXGBXAGGSA-N 1 0 310.825 2.349 50 0 DEAARO O=C1NCCCc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000095390405 185351432 /nfs/dbraw/zinc/35/14/32/185351432.db2.gz QCMFCSYDHJBMSM-AWEZNQCLSA-N 1 0 310.401 2.075 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000095395406 185352713 /nfs/dbraw/zinc/35/27/13/185352713.db2.gz NPQQYOLGBVWDLR-KRWDZBQOSA-N 1 0 318.461 2.436 50 0 DEAARO CC[N@H+](C)Cc1cccc(CNC(=O)NC2(CO)CCCC2)c1 ZINC000095416126 185358966 /nfs/dbraw/zinc/35/89/66/185358966.db2.gz ZNLBNGKIBNIWNY-UHFFFAOYSA-N 1 0 319.449 2.243 50 0 DEAARO Cc1cc(F)c(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1F ZINC000095417521 185359407 /nfs/dbraw/zinc/35/94/07/185359407.db2.gz WMNALFURMCJYTD-UHFFFAOYSA-N 1 0 320.405 2.236 50 0 DEAARO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000095420884 185360381 /nfs/dbraw/zinc/36/03/81/185360381.db2.gz DMKZDBKOFRVVMP-QZTJIDSGSA-N 1 0 318.486 2.471 50 0 DEAARO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000095420885 185360414 /nfs/dbraw/zinc/36/04/14/185360414.db2.gz DMKZDBKOFRVVMP-ROUUACIJSA-N 1 0 318.486 2.471 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(F)c1 ZINC000095432043 185363511 /nfs/dbraw/zinc/36/35/11/185363511.db2.gz WUVCMSQVRCYPDH-CQSZACIVSA-N 1 0 308.378 2.112 50 0 DEAARO Cc1ccc([C@@H]2CN(C(=O)NCC(C)(C)[NH+](C)C)CCO2)o1 ZINC000095437998 185365687 /nfs/dbraw/zinc/36/56/87/185365687.db2.gz NWNQBWFIXHJMSO-AWEZNQCLSA-N 1 0 309.410 2.011 50 0 DEAARO CCN(CC)C(=O)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC000095465631 185371685 /nfs/dbraw/zinc/37/16/85/185371685.db2.gz QQOKDNWYRIACCZ-UHFFFAOYSA-N 1 0 316.405 2.021 50 0 DEAARO Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000097019016 185397969 /nfs/dbraw/zinc/39/79/69/185397969.db2.gz GZKOQKVSIJLHPC-SJORKVTESA-N 1 0 317.433 2.494 50 0 DEAARO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1coc(Br)c1 ZINC000097019697 185398187 /nfs/dbraw/zinc/39/81/87/185398187.db2.gz RYWWNIKECVJXTF-JTQLQIEISA-N 1 0 303.200 2.488 50 0 DEAARO Cc1cnc(CN(Cc2c(C)noc2C)[C@@H]2CC[N@@H+](C)C2)o1 ZINC000084259288 539394063 /nfs/dbraw/zinc/39/40/63/539394063.db2.gz ADKVZOMLOZNSOF-CQSZACIVSA-N 1 0 304.394 2.294 50 0 DEAARO CC(C)[C@H](CNC(=O)[C@H](c1ccccc1)n1cccn1)[NH+](C)C ZINC000084410313 539395138 /nfs/dbraw/zinc/39/51/38/539395138.db2.gz 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/nfs/dbraw/zinc/84/17/22/190841722.db2.gz VFUHPACGHFQOEK-GJZGRUSLSA-N 1 0 321.446 2.286 50 0 DEAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C[NH3+] ZINC000070177381 190867900 /nfs/dbraw/zinc/86/79/00/190867900.db2.gz UJEVTHCZDHFVNZ-RKDXNWHRSA-N 1 0 308.856 2.149 50 0 DEAARO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000170042580 539614079 /nfs/dbraw/zinc/61/40/79/539614079.db2.gz CUGYYVMJQNZHHY-ICUGJSFKSA-N 1 0 310.482 2.017 50 0 DEAARO CSCc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000170048944 539614301 /nfs/dbraw/zinc/61/43/01/539614301.db2.gz JXOFHLMWQHBWHO-LBPRGKRZSA-N 1 0 300.811 2.130 50 0 DEAARO COC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084048354 192398197 /nfs/dbraw/zinc/39/81/97/192398197.db2.gz KYTVAHFDSCPDGL-CQSZACIVSA-N 1 0 314.389 2.111 50 0 DEAARO [NH3+][C@@H](C(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000071714684 191011347 /nfs/dbraw/zinc/01/13/47/191011347.db2.gz RSYLIBJVNCHDTL-OAHLLOKOSA-N 1 0 308.341 2.053 50 0 DEAARO 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ZINC000073658304 191337531 /nfs/dbraw/zinc/33/75/31/191337531.db2.gz UPAGXWGRSQZNMS-UHFFFAOYSA-N 1 0 309.797 2.075 50 0 DEAARO Cn1c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2n(C)c1=O ZINC000004993729 181186679 /nfs/dbraw/zinc/18/66/79/181186679.db2.gz UFOLCGIAEYEIEN-UHFFFAOYSA-N 1 0 313.376 2.348 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc3cc(C)ccn23)[C@@H](C)C1 ZINC000078897617 355284110 /nfs/dbraw/zinc/28/41/10/355284110.db2.gz UZCZOMGKMSSBOO-GOEBONIOSA-N 1 0 314.433 2.379 50 0 DEAARO CCC[NH+]1CCN(C(=S)Nc2ccc(OC)c(OC)c2)CC1 ZINC000005041185 181195247 /nfs/dbraw/zinc/19/52/47/181195247.db2.gz ORMAURIJVDGFMZ-UHFFFAOYSA-N 1 0 323.462 2.428 50 0 DEAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000005073810 181201026 /nfs/dbraw/zinc/20/10/26/181201026.db2.gz JLSIZYMNGQWRJQ-MCIONIFRSA-N 1 0 307.390 2.418 50 0 DEAARO Cc1nc(CN(C)[C@@H]2CC[N@@H+]([C@@H](C)c3cccnc3)C2)no1 ZINC000095402248 355697066 /nfs/dbraw/zinc/69/70/66/355697066.db2.gz XMEVWTMKYQGCME-SWLSCSKDSA-N 1 0 301.394 2.040 50 0 DEAARO CCN1C(=O)N[C@](C)([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)C1=O ZINC000095402614 355697391 /nfs/dbraw/zinc/69/73/91/355697391.db2.gz JHNZJGVWGILEAH-JKIFEVAISA-N 1 0 305.422 2.138 50 0 DEAARO CC[C@H](C)[NH2+]C[C@H](O)COc1ccc(O)c2c1CCCC2=O ZINC000096028014 355698112 /nfs/dbraw/zinc/69/81/12/355698112.db2.gz AZUNXHDTUMSLKC-RYUDHWBXSA-N 1 0 307.390 2.039 50 0 DEAARO Nc1nnc(CC[N@@H+]2CCC[C@H]2COc2ccccc2)s1 ZINC000097373549 355703842 /nfs/dbraw/zinc/70/38/42/355703842.db2.gz OTKWZOWTSQOYSV-LBPRGKRZSA-N 1 0 304.419 2.206 50 0 DEAARO C[NH+](C)C[C@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000097942781 355706674 /nfs/dbraw/zinc/70/66/74/355706674.db2.gz YXZGHXJIAGKJKT-AWEZNQCLSA-N 1 0 308.447 2.179 50 0 DEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC000169751657 355979798 /nfs/dbraw/zinc/97/97/98/355979798.db2.gz PHEPTGFDOHMICR-UHFFFAOYSA-N 1 0 314.389 2.081 50 0 DEAARO C[NH+](C)[C@@H]1CCN(C(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000170826480 355994244 /nfs/dbraw/zinc/99/42/44/355994244.db2.gz CKVRQSROIXLESU-CYBMUJFWSA-N 1 0 311.813 2.064 50 0 DEAARO C[C@]1(O)CCCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181528020 356084826 /nfs/dbraw/zinc/08/48/26/356084826.db2.gz ANOHFMVOPDKFHY-HNNXBMFYSA-N 1 0 324.787 2.407 50 0 DEAARO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000195549803 356256213 /nfs/dbraw/zinc/25/62/13/356256213.db2.gz NVKYEWLNHFDHID-LSDHHAIUSA-N 1 0 316.511 2.196 50 0 DEAARO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000195554635 356256755 /nfs/dbraw/zinc/25/67/55/356256755.db2.gz BXOVQEQOKPUOIQ-CHWSQXEVSA-N 1 0 311.813 2.232 50 0 DEAARO Cn1ccc([C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)C(F)(F)F)c1 ZINC000195554668 356257218 /nfs/dbraw/zinc/25/72/18/356257218.db2.gz BJRHBISUGITGGR-AAEUAGOBSA-N 1 0 303.328 2.134 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000257365684 356338759 /nfs/dbraw/zinc/33/87/59/356338759.db2.gz GGFMNPNLCVUUKA-LSDHHAIUSA-N 1 0 314.389 2.369 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000237094988 202151412 /nfs/dbraw/zinc/15/14/12/202151412.db2.gz URQPWLVSAVHHCC-ZDUSSCGKSA-N 1 0 300.324 2.458 50 0 DEAARO C/C=C/c1ccc(OCC(=O)N(C)C2CC[NH2+]CC2)c(OC)c1 ZINC000237094322 202151902 /nfs/dbraw/zinc/15/19/02/202151902.db2.gz ATMSKZDOYZYPSX-SNAWJCMRSA-N 1 0 318.417 2.318 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 ZINC000237077015 202144025 /nfs/dbraw/zinc/14/40/25/202144025.db2.gz HXTAFLYZUFUANC-OAHLLOKOSA-N 1 0 312.417 2.252 50 0 DEAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H]1CCO ZINC000585094453 540256458 /nfs/dbraw/zinc/25/64/58/540256458.db2.gz HFNPBAWLVXABQS-MLGOLLRUSA-N 1 0 323.412 2.219 50 0 DEAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000409420433 356736607 /nfs/dbraw/zinc/73/66/07/356736607.db2.gz VJKXLHUPYZSIJP-QGZVFWFLSA-N 1 0 305.418 2.209 50 0 DEAARO CCn1ccnc1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000584894346 357328901 /nfs/dbraw/zinc/32/89/01/357328901.db2.gz SJVVLLACDIJWSJ-AWEZNQCLSA-N 1 0 321.469 2.165 50 0 DEAARO Cc1ncsc1CCN(C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000584895954 357328963 /nfs/dbraw/zinc/32/89/63/357328963.db2.gz UBFSIUPLGNNBAC-GFCCVEGCSA-N 1 0 310.467 2.120 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N2CC(c3ccncc3)C2)C1 ZINC000584896725 357330086 /nfs/dbraw/zinc/33/00/86/357330086.db2.gz DDSVMKXDXSXGFQ-OAHLLOKOSA-N 1 0 316.449 2.312 50 0 DEAARO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](O)CC1 ZINC000584899583 357330441 /nfs/dbraw/zinc/33/04/41/357330441.db2.gz KNCHMHHVZYLJPV-QGZVFWFLSA-N 1 0 308.466 2.405 50 0 DEAARO Cc1cccc(N2CCC([NH2+]C3CCS(=O)(=O)CC3)CC2)c1 ZINC000584899372 357330978 /nfs/dbraw/zinc/33/09/78/357330978.db2.gz AFMULSYEZCSMJW-UHFFFAOYSA-N 1 0 322.474 2.131 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000178520732 198882117 /nfs/dbraw/zinc/88/21/17/198882117.db2.gz ZGURLRWJUZFODU-NSHDSACASA-N 1 0 319.405 2.294 50 0 DEAARO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCN(c2ccc(F)cc2)CC1 ZINC000237291725 202220857 /nfs/dbraw/zinc/22/08/57/202220857.db2.gz SMQJDPOWBRNCPW-SJORKVTESA-N 1 0 319.424 2.380 50 0 DEAARO COC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000089406924 192781856 /nfs/dbraw/zinc/78/18/56/192781856.db2.gz KEGIUYMBVYYOBL-LJQANCHMSA-N 1 0 311.381 2.397 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1(O)CCOCC1 ZINC000237847928 202369056 /nfs/dbraw/zinc/36/90/56/202369056.db2.gz ZKVQHQSCXWWMIQ-UHFFFAOYSA-N 1 0 315.417 2.120 50 0 DEAARO Cn1cc(C(=O)N2CCC([NH3+])CC2)c(-c2ccccc2Cl)n1 ZINC000237881419 202376994 /nfs/dbraw/zinc/37/69/94/202376994.db2.gz MTLFWKQMHLAOSN-UHFFFAOYSA-N 1 0 318.808 2.304 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000237893549 202382828 /nfs/dbraw/zinc/38/28/28/202382828.db2.gz DKZVVRJIPFRDOY-WOSRLPQWSA-N 1 0 324.371 2.382 50 0 DEAARO c1c[nH]c(CC[NH+]2CCN(c3nsc4ccccc43)CC2)n1 ZINC000670450668 540935166 /nfs/dbraw/zinc/93/51/66/540935166.db2.gz OAPRECBAOWQUOR-UHFFFAOYSA-N 1 0 313.430 2.384 50 0 DEAARO CCn1ccc(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000670459234 540937114 /nfs/dbraw/zinc/93/71/14/540937114.db2.gz HUIGOWHOJZIHON-AWEZNQCLSA-N 1 0 304.438 2.126 50 0 DEAARO CC(C)(C)OC(=O)CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000192385505 200865743 /nfs/dbraw/zinc/86/57/43/200865743.db2.gz ONOPXEOUZCCOSN-UHFFFAOYSA-N 1 0 312.454 2.487 50 0 DEAARO C/C=C(\C)C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C)CC1 ZINC000091425225 193053700 /nfs/dbraw/zinc/05/37/00/193053700.db2.gz SQNSTYZLCILHJH-LNKIKWGQSA-N 1 0 314.437 2.206 50 0 DEAARO CCCn1cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000091526922 193069824 /nfs/dbraw/zinc/06/98/24/193069824.db2.gz SIOVNFHQIJPLTR-ZDUSSCGKSA-N 1 0 304.438 2.300 50 0 DEAARO O=C1NCCC[C@]12CC[N@H+](CCCOCc1ccccc1)C2 ZINC000091587174 193075473 /nfs/dbraw/zinc/07/54/73/193075473.db2.gz FRKDUNQUINOCTK-GOSISDBHSA-N 1 0 302.418 2.195 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(F)ccc1OC)C2 ZINC000091595756 193078208 /nfs/dbraw/zinc/07/82/08/193078208.db2.gz CYOYGRUUDXLUFP-WMLDXEAASA-N 1 0 322.424 2.377 50 0 DEAARO CCOc1ccc(C[N@@H+]2CC[C@@](O)(CCOC)[C@H](C)C2)cn1 ZINC000091604287 193078836 /nfs/dbraw/zinc/07/88/36/193078836.db2.gz IILPAUDKYSYSQW-RHSMWYFYSA-N 1 0 308.422 2.090 50 0 DEAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)C[NH3+])C1 ZINC000091726267 193097892 /nfs/dbraw/zinc/09/78/92/193097892.db2.gz KFPDVZLBUBDXHC-AWEZNQCLSA-N 1 0 316.380 2.100 50 0 DEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CO)CC2)C1 ZINC000091817600 193112613 /nfs/dbraw/zinc/11/26/13/193112613.db2.gz NNWYRPRJNXFOBY-QGZVFWFLSA-N 1 0 316.445 2.097 50 0 DEAARO CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)on1 ZINC000091943114 193130080 /nfs/dbraw/zinc/13/00/80/193130080.db2.gz MHIGRCQLMFLXDD-UKRRQHHQSA-N 1 0 313.405 2.128 50 0 DEAARO C/C=C/CC(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000091950840 193131530 /nfs/dbraw/zinc/13/15/30/193131530.db2.gz ZAIVHTSIGBDBOG-SNAWJCMRSA-N 1 0 304.438 2.117 50 0 DEAARO Cc1cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cc(C)n1 ZINC000215628935 201466519 /nfs/dbraw/zinc/46/65/19/201466519.db2.gz VFGPARJNBCWCQR-UHFFFAOYSA-N 1 0 319.474 2.352 50 0 DEAARO Cc1nc(NCc2ccc3c(c2)OCO3)cc(C2CC([NH3+])C2)n1 ZINC000223926872 201663439 /nfs/dbraw/zinc/66/34/39/201663439.db2.gz NVEWEOYSZXDSTP-UHFFFAOYSA-N 1 0 312.373 2.331 50 0 DEAARO O=C(OCc1ccccc1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC000261507387 203073604 /nfs/dbraw/zinc/07/36/04/203073604.db2.gz HYXZJNAWLKDMBB-INIZCTEOSA-N 1 0 304.390 2.120 50 0 DEAARO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093808822 193310356 /nfs/dbraw/zinc/31/03/56/193310356.db2.gz JIFKBEXIZXHKPD-CQSZACIVSA-N 1 0 312.417 2.473 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000093870683 193321402 /nfs/dbraw/zinc/32/14/02/193321402.db2.gz PZBDKLWBLHAXPK-AWEZNQCLSA-N 1 0 315.465 2.343 50 0 DEAARO Cc1cc(C)nc(N2CCC([NH2+]CCc3ccccn3)CC2)n1 ZINC000095378742 193438811 /nfs/dbraw/zinc/43/88/11/193438811.db2.gz XZIKPRQGMMPASH-UHFFFAOYSA-N 1 0 311.433 2.290 50 0 DEAARO C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)COC[C@@H]1CCOC1 ZINC000095985042 193478197 /nfs/dbraw/zinc/47/81/97/193478197.db2.gz OGZXILHHUGCFJD-LJISPDSOSA-N 1 0 317.520 2.399 50 0 DEAARO CSC[C@H](C)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000096449723 193652085 /nfs/dbraw/zinc/65/20/85/193652085.db2.gz XLYHFZXKTCHTCU-UONOGXRCSA-N 1 0 314.495 2.135 50 0 DEAARO COc1c(Cl)cc(Cl)cc1CNCC[NH2+]C[C@@H](C)O ZINC000019370678 182119772 /nfs/dbraw/zinc/11/97/72/182119772.db2.gz FAAJNOFFIPXHSB-SECBINFHSA-N 1 0 307.221 2.062 50 0 DEAARO COc1ccc(CN2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000019789232 182149062 /nfs/dbraw/zinc/14/90/62/182149062.db2.gz RDXRXCHMBVPIPI-UHFFFAOYSA-N 1 0 308.422 2.238 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000019872056 182158998 /nfs/dbraw/zinc/15/89/98/182158998.db2.gz MYASWCGVHYNIQU-CQSZACIVSA-N 1 0 308.422 2.286 50 0 DEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)nc2)C1 ZINC000020540334 182228892 /nfs/dbraw/zinc/22/88/92/182228892.db2.gz VFKIAGLXPWQVSC-CQSZACIVSA-N 1 0 316.449 2.364 50 0 DEAARO CC(C)c1ccc(OCCOCCN2CC[NH+](C)CC2)cc1 ZINC000022033908 182305178 /nfs/dbraw/zinc/30/51/78/182305178.db2.gz IKUOJBHZSNDSQH-UHFFFAOYSA-N 1 0 306.450 2.453 50 0 DEAARO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1)c1cccs1 ZINC000022029666 182305405 /nfs/dbraw/zinc/30/54/05/182305405.db2.gz ZUTTXFHZQYLQCD-GDBMZVCRSA-N 1 0 320.458 2.380 50 0 DEAARO Cn1cccc1[C@H](CNC(=O)NCc1cccs1)[NH+](C)C ZINC000038489728 183000220 /nfs/dbraw/zinc/00/02/20/183000220.db2.gz JJCALFFNBJBIKO-AWEZNQCLSA-N 1 0 306.435 2.189 50 0 DEAARO C[NH+](C)CCCn1c2sc3c(c2c(N)nc1=O)CCCCC3 ZINC000040267616 183050099 /nfs/dbraw/zinc/05/00/99/183050099.db2.gz XEXUMJOVOFUINF-UHFFFAOYSA-N 1 0 320.462 2.261 50 0 DEAARO Cc1cccc(C)c1NC(=O)NCCCN1CC[NH+](C)CC1 ZINC000040477748 183075671 /nfs/dbraw/zinc/07/56/71/183075671.db2.gz MGDNUYNLFZLGOG-UHFFFAOYSA-N 1 0 304.438 2.062 50 0 DEAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000040541071 183097759 /nfs/dbraw/zinc/09/77/59/183097759.db2.gz JEZARNWMCWQSRS-AWEZNQCLSA-N 1 0 318.421 2.231 50 0 DEAARO CC[NH+](CC)CCSc1nc2ccccc2c2nnnn21 ZINC000040555392 183101750 /nfs/dbraw/zinc/10/17/50/183101750.db2.gz OQLPTPKRMJFQBN-UHFFFAOYSA-N 1 0 302.407 2.106 50 0 DEAARO COc1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000493227727 249254256 /nfs/dbraw/zinc/25/42/56/249254256.db2.gz XBUAOOQFLCZDMR-NQSJFCTJSA-N 1 0 318.417 2.303 50 0 DEAARO Cc1cc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCOC2)c2ccccc2)no1 ZINC000042183476 183239044 /nfs/dbraw/zinc/23/90/44/183239044.db2.gz JHMJESNJLWNDPM-BBRMVZONSA-N 1 0 315.373 2.289 50 0 DEAARO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCC2)cc1 ZINC000042122574 183233971 /nfs/dbraw/zinc/23/39/71/183233971.db2.gz IBXABLMOLHOJIB-INIZCTEOSA-N 1 0 306.406 2.259 50 0 DEAARO O=C(CCn1cccn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000042476455 183274365 /nfs/dbraw/zinc/27/43/65/183274365.db2.gz OHJXBCWQNQMSTF-HNNXBMFYSA-N 1 0 316.405 2.210 50 0 DEAARO Ic1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC000042782971 183309085 /nfs/dbraw/zinc/30/90/85/183309085.db2.gz JJWCKYABGXNQGC-NSHDSACASA-N 1 0 303.143 2.170 50 0 DEAARO CCn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000043645765 183377049 /nfs/dbraw/zinc/37/70/49/183377049.db2.gz KENVWTVLTJKYLU-OAHLLOKOSA-N 1 0 313.405 2.299 50 0 DEAARO O=c1c(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nccn1C1CC1 ZINC000104368860 194003054 /nfs/dbraw/zinc/00/30/54/194003054.db2.gz FJTXFOBWQFJQDS-INIZCTEOSA-N 1 0 324.428 2.337 50 0 DEAARO COc1ccccc1CN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000104380416 194004192 /nfs/dbraw/zinc/00/41/92/194004192.db2.gz KNNNEBNQQZOTHZ-QGZVFWFLSA-N 1 0 306.450 2.220 50 0 DEAARO C[N@@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@H]1CCO ZINC000104509443 194013016 /nfs/dbraw/zinc/01/30/16/194013016.db2.gz QCGWDLNQDRDQLU-QGZVFWFLSA-N 1 0 300.402 2.445 50 0 DEAARO Cc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2CCO)cc1 ZINC000105626852 194116115 /nfs/dbraw/zinc/11/61/15/194116115.db2.gz AJCHBOPBFNXIGM-LJQANCHMSA-N 1 0 318.461 2.043 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000106516569 194222889 /nfs/dbraw/zinc/22/28/89/194222889.db2.gz IKWUGCLBQXSMFZ-WMLDXEAASA-N 1 0 302.418 2.227 50 0 DEAARO COCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048885236 284784157 /nfs/dbraw/zinc/78/41/57/284784157.db2.gz ZQXIXHMGQOVJIS-HUUCEWRRSA-N 1 0 304.434 2.427 50 0 DEAARO Cc1ccc2nc(C)c(C(=O)N3CCO[C@H](CC[NH3+])C3)cc2c1 ZINC000055402974 183985519 /nfs/dbraw/zinc/98/55/19/183985519.db2.gz XTNZESLLSURLLU-OAHLLOKOSA-N 1 0 313.401 2.041 50 0 DEAARO CC1(C)CC(NC(=O)NCc2nc(C3CC3)no2)CC(C)(C)[NH2+]1 ZINC000056447080 184012585 /nfs/dbraw/zinc/01/25/85/184012585.db2.gz AQNDVSSBKDOTNG-UHFFFAOYSA-N 1 0 321.425 2.055 50 0 DEAARO C[C@H](Cc1ccc(O)cc1)NC(=O)NCC[NH+]1CCCCC1 ZINC000056769108 184019503 /nfs/dbraw/zinc/01/95/03/184019503.db2.gz CXZUOIIDAUZFTG-CQSZACIVSA-N 1 0 305.422 2.108 50 0 DEAARO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000057352199 184034848 /nfs/dbraw/zinc/03/48/48/184034848.db2.gz SJHWSBCDIVVSIS-STQMWFEESA-N 1 0 317.433 2.450 50 0 DEAARO CC[NH+](CC)CCNc1nc(C2CC2)nc2c(C)nn(C)c21 ZINC000057356023 184035559 /nfs/dbraw/zinc/03/55/59/184035559.db2.gz FSUKQWJFSRKCPB-UHFFFAOYSA-N 1 0 302.426 2.303 50 0 DEAARO Cn1cnn(CN2CCC[N@H+](CC3CCCCC3)CC2)c1=S ZINC000058191971 184086059 /nfs/dbraw/zinc/08/60/59/184086059.db2.gz NDKJAZGEEBBURO-UHFFFAOYSA-N 1 0 323.510 2.497 50 0 DEAARO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058232092 184092334 /nfs/dbraw/zinc/09/23/34/184092334.db2.gz VHRWEUNXJZIKLA-HNNXBMFYSA-N 1 0 319.380 2.168 50 0 DEAARO Cc1cc(C)cc(NC(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000058161931 184082564 /nfs/dbraw/zinc/08/25/64/184082564.db2.gz JJRQWQKIBWCDOZ-UHFFFAOYSA-N 1 0 304.438 2.062 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1cccs1 ZINC000058391847 184111216 /nfs/dbraw/zinc/11/12/16/184111216.db2.gz JZWAGLGMIDOLTI-CYBMUJFWSA-N 1 0 320.462 2.477 50 0 DEAARO O[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1F ZINC000058263993 184095176 /nfs/dbraw/zinc/09/51/76/184095176.db2.gz NYCZDNRDBLZQAI-INIZCTEOSA-N 1 0 316.380 2.039 50 0 DEAARO CC1=NN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000058283699 184100337 /nfs/dbraw/zinc/10/03/37/184100337.db2.gz DFPYGPGGUSJKHM-OAHLLOKOSA-N 1 0 314.433 2.487 50 0 DEAARO C[C@@H](CCc1ccccc1)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000058300718 184102774 /nfs/dbraw/zinc/10/27/74/184102774.db2.gz OURGTTXMARCXLO-KRWDZBQOSA-N 1 0 317.477 2.009 50 0 DEAARO COCc1cccc(C[NH2+]Cc2c(C)nn(C)c2N(C)C)c1 ZINC000058405363 184113692 /nfs/dbraw/zinc/11/36/92/184113692.db2.gz WYLOVATYAZEDQX-UHFFFAOYSA-N 1 0 302.422 2.231 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)C1 ZINC000058428778 184117141 /nfs/dbraw/zinc/11/71/41/184117141.db2.gz CEODLXDMFWBZST-INIZCTEOSA-N 1 0 316.445 2.193 50 0 DEAARO O=C(/C=C/c1cnccn1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272173 184280176 /nfs/dbraw/zinc/28/01/76/184280176.db2.gz VPSIUXFPNBOHPF-AATRIKPKSA-N 1 0 314.433 2.261 50 0 DEAARO CC(C)[C@@H](Cn1ccnc1)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000065385292 184333076 /nfs/dbraw/zinc/33/30/76/184333076.db2.gz QVTOUKGFAWFFBR-GFCCVEGCSA-N 1 0 301.350 2.341 50 0 DEAARO Cc1ccsc1CN(CCO)C(=O)[C@H]1CCCCC[N@H+]1C ZINC000065383962 184332408 /nfs/dbraw/zinc/33/24/08/184332408.db2.gz VLJLZCYLXGDBNB-CQSZACIVSA-N 1 0 310.463 2.252 50 0 DEAARO CCNC(=O)N1CCC([NH2+][C@H](C)COc2ccccc2)CC1 ZINC000065408352 184339214 /nfs/dbraw/zinc/33/92/14/184339214.db2.gz HFEJXIFFSKGNMI-CQSZACIVSA-N 1 0 305.422 2.237 50 0 DEAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cccnc2N)C[C@H]1O ZINC000065408562 184339338 /nfs/dbraw/zinc/33/93/38/184339338.db2.gz CWLPAFWEDLUNKY-ZIAGYGMSSA-N 1 0 303.431 2.384 50 0 DEAARO O=C1Nc2ccccc2C12CCC([NH2+]CCn1cccn1)CC2 ZINC000180430955 284930461 /nfs/dbraw/zinc/93/04/61/284930461.db2.gz KTEVKZPXRZAPMW-UHFFFAOYSA-N 1 0 310.401 2.305 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000065415659 184341043 /nfs/dbraw/zinc/34/10/43/184341043.db2.gz LROOGMHFBPJLQK-UHFFFAOYSA-N 1 0 300.406 2.252 50 0 DEAARO COC[C@H](C)NC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000065449311 184345943 /nfs/dbraw/zinc/34/59/43/184345943.db2.gz FECIEVQZFKPZRK-ZDUSSCGKSA-N 1 0 311.451 2.000 50 0 DEAARO Cc1ccnc(-n2cccc2C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000065468502 184350579 /nfs/dbraw/zinc/35/05/79/184350579.db2.gz ZIIKSSYOGBQJGJ-UHFFFAOYSA-N 1 0 324.428 2.283 50 0 DEAARO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC000065397014 184335859 /nfs/dbraw/zinc/33/58/59/184335859.db2.gz JYZZXINDCJVCMS-OAHLLOKOSA-N 1 0 306.406 2.017 50 0 DEAARO CCOc1ccccc1OCC[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC000065397013 184335999 /nfs/dbraw/zinc/33/59/99/184335999.db2.gz JYZZXINDCJVCMS-HNNXBMFYSA-N 1 0 306.406 2.017 50 0 DEAARO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000065405507 184338130 /nfs/dbraw/zinc/33/81/30/184338130.db2.gz XCDZZMSFLRYJDZ-LBPRGKRZSA-N 1 0 323.824 2.045 50 0 DEAARO [NH3+]CCc1nc2ccccc2c(NCCCNc2cccnc2)n1 ZINC000065404534 184338132 /nfs/dbraw/zinc/33/81/32/184338132.db2.gz IXHWAXACQHWTTO-UHFFFAOYSA-N 1 0 322.416 2.440 50 0 DEAARO O=C(NCCc1c[nH]cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065526037 184359456 /nfs/dbraw/zinc/35/94/56/184359456.db2.gz QFORBTZRFCQJLP-UHFFFAOYSA-N 1 0 312.417 2.368 50 0 DEAARO CCn1c(CSc2nc(N)cc(N)[nH+]2)nc2cc(F)ccc21 ZINC000065535616 184362611 /nfs/dbraw/zinc/36/26/11/184362611.db2.gz YJDBCFLNDMSCCJ-UHFFFAOYSA-N 1 0 318.381 2.442 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000269223047 207344147 /nfs/dbraw/zinc/34/41/47/207344147.db2.gz OPVFADDHRHFDAA-ANQUJSFKSA-N 1 0 302.418 2.411 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(F)c1 ZINC000269600570 207666681 /nfs/dbraw/zinc/66/66/81/207666681.db2.gz AJJYJLVFKFDYEE-AAEUAGOBSA-N 1 0 300.399 2.025 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000299739269 533084336 /nfs/dbraw/zinc/08/43/36/533084336.db2.gz MRJGRUYYQNRDKO-OAUYIBNBSA-N 1 0 318.417 2.147 50 0 DEAARO CNc1ncccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000426398976 533089718 /nfs/dbraw/zinc/08/97/18/533089718.db2.gz DVVQBCUDFNDPPM-HLLBOEOZSA-N 1 0 305.422 2.282 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000158280536 197259284 /nfs/dbraw/zinc/25/92/84/197259284.db2.gz RJLZNVKJBCEBIT-CYBMUJFWSA-N 1 0 322.836 2.338 50 0 DEAARO COCCn1cncc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000244872967 285194629 /nfs/dbraw/zinc/19/46/29/285194629.db2.gz WHQZVYMNNXRALU-INIZCTEOSA-N 1 0 317.437 2.171 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000156387202 197109240 /nfs/dbraw/zinc/10/92/40/197109240.db2.gz QLXUWXOGEYPEJZ-HOCLYGCPSA-N 1 0 312.417 2.001 50 0 DEAARO C[NH+]1CCC(N(CCO)Cc2ccc(Cl)c(F)c2)CC1 ZINC000155497044 197059850 /nfs/dbraw/zinc/05/98/50/197059850.db2.gz QUEZFWGDLPMBNI-UHFFFAOYSA-N 1 0 300.805 2.368 50 0 DEAARO Cc1csc(N2CCC(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)CC2)n1 ZINC000237466958 257239509 /nfs/dbraw/zinc/23/95/09/257239509.db2.gz UYPGMZBCBCLXLW-OCCSQVGLSA-N 1 0 322.478 2.006 50 0 DEAARO O[C@H](C[NH2+]CCn1cccn1)c1ccc(OC(F)(F)F)cc1 ZINC000071877183 184882438 /nfs/dbraw/zinc/88/24/38/184882438.db2.gz AWCHZNSYMQJWGA-CYBMUJFWSA-N 1 0 315.295 2.105 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cccc(Br)c1 ZINC000124674345 195667548 /nfs/dbraw/zinc/66/75/48/195667548.db2.gz NKOAAQCBOLOXFL-GXFFZTMASA-N 1 0 311.223 2.330 50 0 DEAARO COCCN(CC[NH+](C)C)Cc1cnc([C@H]2CCCO2)s1 ZINC000349312421 146367396 /nfs/dbraw/zinc/36/73/96/146367396.db2.gz FCLRWTKZZDTJJP-CQSZACIVSA-N 1 0 313.467 2.005 50 0 DEAARO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](C[NH3+])C1 ZINC000012359103 286009321 /nfs/dbraw/zinc/00/93/21/286009321.db2.gz KMWBSXFVUCPBFD-LBPRGKRZSA-N 1 0 302.415 2.114 50 0 DEAARO O=c1c(=O)c(N2CCC([NH+]3CCCCC3)CC2)c1-c1ccccc1 ZINC000006892934 401734186 /nfs/dbraw/zinc/73/41/86/401734186.db2.gz DYQOSQKOJNJRRK-UHFFFAOYSA-N 1 0 324.424 2.404 50 0 DEAARO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000007060546 401736366 /nfs/dbraw/zinc/73/63/66/401736366.db2.gz UIGABJQLRMFJQC-IAGOWNOFSA-N 1 0 307.434 2.198 50 0 DEAARO 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O=C(NCc1cccnc1)[C@H]1[C@@H]2C[N@@H+](C/C=C/c3ccco3)C[C@@H]21 ZINC000102303176 402164757 /nfs/dbraw/zinc/16/47/57/402164757.db2.gz QHZXFSJXOXYVSJ-DPTVCVPISA-N 1 0 323.396 2.182 50 0 DEAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](C[NH3+])C1 ZINC000067673487 402166995 /nfs/dbraw/zinc/16/69/95/402166995.db2.gz WNZYZRIUHDUECH-CQSZACIVSA-N 1 0 321.808 2.463 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000067698303 402168449 /nfs/dbraw/zinc/16/84/49/402168449.db2.gz BOOFECJGMYSLOT-UHFFFAOYSA-N 1 0 316.453 2.194 50 0 DEAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)Nc2ccc(OC)cc2C)C1 ZINC000067757001 402171671 /nfs/dbraw/zinc/17/16/71/402171671.db2.gz OSVBUFAFYZAPRX-HNNXBMFYSA-N 1 0 321.421 2.236 50 0 DEAARO O=C(Cc1cccnc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000067770847 402172202 /nfs/dbraw/zinc/17/22/02/402172202.db2.gz RIKCPICSGGWQRI-UHFFFAOYSA-N 1 0 313.401 2.246 50 0 DEAARO Cc1cccc(N2CCC([NH2+]CCSc3nc[nH]n3)CC2)c1 ZINC000067805596 402173589 /nfs/dbraw/zinc/17/35/89/402173589.db2.gz 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CCOCC[NH+]1CCN(CCOc2c(C)cccc2C)CC1 ZINC000069627556 402235142 /nfs/dbraw/zinc/23/51/42/402235142.db2.gz FYPPODZPIQJWMJ-UHFFFAOYSA-N 1 0 306.450 2.336 50 0 DEAARO O=C(CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1)N1CCC1 ZINC000069630275 402235687 /nfs/dbraw/zinc/23/56/87/402235687.db2.gz TUTCGRJXUWLTAR-UHFFFAOYSA-N 1 0 321.852 2.080 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000069632182 402235816 /nfs/dbraw/zinc/23/58/16/402235816.db2.gz GVPNUJRGNBCIQZ-QGZVFWFLSA-N 1 0 318.465 2.452 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccnc(-c3ccccc3)n1)CC2 ZINC000069631273 402235902 /nfs/dbraw/zinc/23/59/02/402235902.db2.gz CXENOTRNQVJEOW-INIZCTEOSA-N 1 0 320.400 2.148 50 0 DEAARO c1ncn(C[C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000069653017 402236557 /nfs/dbraw/zinc/23/65/57/402236557.db2.gz UYJXNRXSMJDPIG-OAHLLOKOSA-N 1 0 314.389 2.104 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1csc(-c2cnn(C)c2)n1)n1cccn1 ZINC000069659370 402236812 /nfs/dbraw/zinc/23/68/12/402236812.db2.gz 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CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)o2)C1 ZINC000070877035 402266393 /nfs/dbraw/zinc/26/63/93/402266393.db2.gz OEDHHJUQPCOKMP-SECBINFHSA-N 1 0 301.184 2.255 50 0 DEAARO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145120 402270355 /nfs/dbraw/zinc/27/03/55/402270355.db2.gz KAYGWBDPXASPQL-ZIAGYGMSSA-N 1 0 310.463 2.430 50 0 DEAARO CS(=O)(=O)c1cnc(C2CCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071498579 402274454 /nfs/dbraw/zinc/27/44/54/402274454.db2.gz XZZSHFDLIDSDIQ-GFCCVEGCSA-N 1 0 309.435 2.005 50 0 DEAARO CSc1cccc(CN(C(=O)[C@@H]2C[NH2+]CCO2)C(C)C)c1 ZINC000071497579 402274738 /nfs/dbraw/zinc/27/47/38/402274738.db2.gz MOSAWDIULVAQBB-HNNXBMFYSA-N 1 0 308.447 2.134 50 0 DEAARO C[C@H](CC[C@H]1CCCO1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000071803199 402279828 /nfs/dbraw/zinc/27/98/28/402279828.db2.gz IBRHGQIXLDJSPQ-GDBMZVCRSA-N 1 0 311.470 2.317 50 0 DEAARO COc1ccc(-n2cccn2)c(C[N@H+](C)CCn2ccnc2)c1 ZINC000215166045 402280595 /nfs/dbraw/zinc/28/05/95/402280595.db2.gz 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CN1CCO[C@@H]2C[N@H+](CCCSCc3ccccc3)C[C@H]21 ZINC000230125546 402347883 /nfs/dbraw/zinc/34/78/83/402347883.db2.gz MYHIROVKOTYTLX-IAGOWNOFSA-N 1 0 306.475 2.325 50 0 DEAARO Cc1nnc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751506 402330046 /nfs/dbraw/zinc/33/00/46/402330046.db2.gz KDENVPMVJPQXBT-OLZOCXBDSA-N 1 0 302.403 2.130 50 0 DEAARO O[C@H](CN1CC[NH+](C2CCSCC2)CC1)c1ccccc1 ZINC000244872946 402450231 /nfs/dbraw/zinc/45/02/31/402450231.db2.gz WHJJICGFNBMMNL-QGZVFWFLSA-N 1 0 306.475 2.233 50 0 DEAARO CSc1cccc(CN(C)C(=O)C[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000244884424 402450863 /nfs/dbraw/zinc/45/08/63/402450863.db2.gz YMIVEEHONMRJIP-HNNXBMFYSA-N 1 0 321.490 2.003 50 0 DEAARO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000237957187 402427747 /nfs/dbraw/zinc/42/77/47/402427747.db2.gz VKDOKPBJPSNJKH-KRWDZBQOSA-N 1 0 314.360 2.498 50 0 DEAARO O[C@H]1C[C@@H]([C@@H](Cc2ccncc2)[NH2+]C2CSCCSC2)C1 ZINC000244874535 402451309 /nfs/dbraw/zinc/45/13/09/402451309.db2.gz 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402448892 /nfs/dbraw/zinc/44/88/92/402448892.db2.gz MWTLJUKUXHKXRL-AWEZNQCLSA-N 1 0 306.454 2.122 50 0 DEAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000247735158 402575294 /nfs/dbraw/zinc/57/52/94/402575294.db2.gz KIHGOCZMKGKMPS-ROUUACIJSA-N 1 0 324.428 2.367 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000179011457 402564520 /nfs/dbraw/zinc/56/45/20/402564520.db2.gz YOUQVCLUZIFJPE-GFCCVEGCSA-N 1 0 300.324 2.316 50 0 DEAARO CN(C(=O)CCc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000179107598 402573333 /nfs/dbraw/zinc/57/33/33/402573333.db2.gz PARHHDWHASWKJS-GFCCVEGCSA-N 1 0 311.223 2.202 50 0 DEAARO CN(C(=O)c1cn(C)nc1-c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000179124310 402574134 /nfs/dbraw/zinc/57/41/34/402574134.db2.gz KHCSVPJJIDUTCA-NSHDSACASA-N 1 0 318.808 2.174 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000249697436 402638573 /nfs/dbraw/zinc/63/85/73/402638573.db2.gz UROMSLGJOVMDFK-CHWSQXEVSA-N 1 0 322.371 2.431 50 0 DEAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000252517972 402657931 /nfs/dbraw/zinc/65/79/31/402657931.db2.gz WHJLGNFFUYUWGO-JSMQFAGNSA-N 1 0 322.474 2.350 50 0 DEAARO CN(Cc1ccc(F)cc1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000252536012 402658305 /nfs/dbraw/zinc/65/83/05/402658305.db2.gz HLCOTYSQWBERKF-BJHJDKERSA-N 1 0 301.369 2.039 50 0 DEAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000252669639 402660300 /nfs/dbraw/zinc/66/03/00/402660300.db2.gz IFTZZVKSCDJEBZ-CMPLNLGQSA-N 1 0 320.842 2.083 50 0 DEAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1CCCC[C@H]1CO ZINC000252587560 402659179 /nfs/dbraw/zinc/65/91/79/402659179.db2.gz ZCNFNEDIKOASCF-KBMXLJTQSA-N 1 0 302.418 2.105 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000252482281 402654323 /nfs/dbraw/zinc/65/43/23/402654323.db2.gz DCGKLGYFWMHNPR-UHFFFAOYSA-N 1 0 315.417 2.251 50 0 DEAARO C[N@@H+]1CCN(CCNC(=O)NCCCC(C)(C)C)CC1(C)C ZINC000252497190 402656559 /nfs/dbraw/zinc/65/65/59/402656559.db2.gz 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ZINC000255118943 402679099 /nfs/dbraw/zinc/67/90/99/402679099.db2.gz VXJASIPTKMSEBD-GCLPIYDQSA-N 1 0 309.207 2.270 50 0 DEAARO O=C(NC1CCCC1)[C@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257192740 402701702 /nfs/dbraw/zinc/70/17/02/402701702.db2.gz VOZSMGZDJCGQLB-IBGZPJMESA-N 1 0 316.445 2.320 50 0 DEAARO COc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1F ZINC000192950376 402758265 /nfs/dbraw/zinc/75/82/65/402758265.db2.gz YCMRMJMEVKDOLX-UHFFFAOYSA-N 1 0 316.380 2.337 50 0 DEAARO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)nn1C ZINC000195571224 402850946 /nfs/dbraw/zinc/85/09/46/402850946.db2.gz XVKSNAOYBLIJQB-CHWSQXEVSA-N 1 0 310.467 2.321 50 0 DEAARO CCc1ccc2occ(C(=O)NCC[N@H+](CC)CCO)c2c1 ZINC000286158288 403461558 /nfs/dbraw/zinc/46/15/58/403461558.db2.gz SLTVRHUEBZBLFI-UHFFFAOYSA-N 1 0 304.390 2.039 50 0 DEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3nc(C)c(C)n3C)[C@H]2C1 ZINC000299759884 403566971 /nfs/dbraw/zinc/56/69/71/403566971.db2.gz OLJJEWQAGFKFJE-YQQAZPJKSA-N 1 0 307.438 2.195 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)CCc2cn[nH]c2)[NH+](C)C)cc1 ZINC000299759334 403566980 /nfs/dbraw/zinc/56/69/80/403566980.db2.gz GGJYOCAMKPMCJQ-MRXNPFEDSA-N 1 0 300.406 2.070 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cncnc2)c1 ZINC000299769195 403569053 /nfs/dbraw/zinc/56/90/53/403569053.db2.gz LLYZKCKQFIXWMH-KRWDZBQOSA-N 1 0 310.401 2.358 50 0 DEAARO Cc1n[nH]c(C)c1CC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000299770319 403570395 /nfs/dbraw/zinc/57/03/95/403570395.db2.gz PTYBZBSHZAITRC-HNNXBMFYSA-N 1 0 306.454 2.292 50 0 DEAARO CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)cc1 ZINC000299785572 403574592 /nfs/dbraw/zinc/57/45/92/403574592.db2.gz MGBKATVIQYBWLV-CYBMUJFWSA-N 1 0 303.383 2.019 50 0 DEAARO C[C@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000348918794 404110105 /nfs/dbraw/zinc/11/01/05/404110105.db2.gz AUCMNQMYXWGBSZ-IMJJTQAJSA-N 1 0 313.401 2.076 50 0 DEAARO CC[NH+]1CCC(N2CCCN(Cc3nc(C)cs3)CC2)CC1 ZINC000420982081 405420481 /nfs/dbraw/zinc/42/04/81/405420481.db2.gz OOQFBWIXTLPFBF-UHFFFAOYSA-N 1 0 322.522 2.444 50 0 DEAARO Cc1ccc(F)c(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000426470841 405362340 /nfs/dbraw/zinc/36/23/40/405362340.db2.gz NENYSTUUUTYRJU-LBPRGKRZSA-N 1 0 309.360 2.263 50 0 DEAARO CC(C)Cn1c(C[NH3+])nnc1SCc1cncn1C(C)C ZINC000426490222 405364074 /nfs/dbraw/zinc/36/40/74/405364074.db2.gz QNTPZZREZMGEDN-UHFFFAOYSA-N 1 0 308.455 2.463 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N1CC[NH2+][C@H](C)C1 ZINC000493842273 405586926 /nfs/dbraw/zinc/58/69/26/405586926.db2.gz HANKDIWJZBNWHS-CFYYFVFUSA-N 1 0 324.428 2.323 50 0 DEAARO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000096491643 286626354 /nfs/dbraw/zinc/62/63/54/286626354.db2.gz HTGBTFRTSVXSDE-YSVLISHTSA-N 1 0 323.458 2.498 50 0 DEAARO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@](C)(c3ccccc3)C2)C1 ZINC000585132429 405874897 /nfs/dbraw/zinc/87/48/97/405874897.db2.gz WPYJCVFIUXWMCZ-CRAIPNDOSA-N 1 0 302.418 2.102 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000132548628 196264965 /nfs/dbraw/zinc/26/49/65/196264965.db2.gz GWICUYWGBLPYCG-FSNWXROXSA-N 1 0 323.396 2.233 50 0 DEAARO C[C@@H](OCC(F)(F)F)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000046954959 424822589 /nfs/dbraw/zinc/82/25/89/424822589.db2.gz RPTCGQBLBLPHCB-GRYCIOLGSA-N 1 0 310.360 2.190 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cn[nH]c1 ZINC000044966343 424814808 /nfs/dbraw/zinc/81/48/08/424814808.db2.gz WNZMMSVLHDQQOP-ZDUSSCGKSA-N 1 0 303.366 2.351 50 0 DEAARO CC(C)CC[C@@H](C)[NH+]1CCC(Cn2cc(CCO)nn2)CC1 ZINC000048428358 424833633 /nfs/dbraw/zinc/83/36/33/424833633.db2.gz OCCFIUBMCKYNMF-OAHLLOKOSA-N 1 0 308.470 2.350 50 0 DEAARO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccc(NC(C)=O)cc1)C2 ZINC000108496726 424851581 /nfs/dbraw/zinc/85/15/81/424851581.db2.gz MGJUZQJCBQWIJW-MAUKXSAKSA-N 1 0 316.401 2.420 50 0 DEAARO COc1ccc([C@@H]([NH2+]C2CCOCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244633649 424886473 /nfs/dbraw/zinc/88/64/73/424886473.db2.gz GGXPBUHIDALIEG-HACGYAERSA-N 1 0 309.381 2.415 50 0 DEAARO CCN(C/C=C/c1ccccc1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000252511345 424888173 /nfs/dbraw/zinc/88/81/73/424888173.db2.gz ZZWXLWDBGJWXQN-MZEUMTGBSA-N 1 0 315.461 2.184 50 0 DEAARO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)N1CCOC[C@H]1C ZINC000252511622 424888495 /nfs/dbraw/zinc/88/84/95/424888495.db2.gz IUARLUTXGVFIRD-KFWWJZLASA-N 1 0 320.433 2.218 50 0 DEAARO C[NH+]1CCN(c2ccc(I)cc2)CC1 ZINC000027081357 273900156 /nfs/dbraw/zinc/90/01/56/273900156.db2.gz WHDKRPSSEZGGMR-UHFFFAOYSA-N 1 0 302.159 2.043 50 0 DEAARO CN1CC[C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)c2ccccc21 ZINC000058300238 273908756 /nfs/dbraw/zinc/90/87/56/273908756.db2.gz SJVQCKQKRBYYMU-CABCVRRESA-N 1 0 311.433 2.138 50 0 DEAARO CS[C@H]1CN(c2cncc(Br)c2)C[C@@H]1[NH+](C)C ZINC000271654623 274187066 /nfs/dbraw/zinc/18/70/66/274187066.db2.gz SWUOPPAJHWCUDQ-RYUDHWBXSA-N 1 0 316.268 2.326 50 0 DEAARO C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)C[NH+]1CCCCC1 ZINC000058405394 274224456 /nfs/dbraw/zinc/22/44/56/274224456.db2.gz ZJWIYTVJNFPKLG-AWEZNQCLSA-N 1 0 306.454 2.490 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000050228199 274958488 /nfs/dbraw/zinc/95/84/88/274958488.db2.gz DMYPHXKJESCGPS-SECBINFHSA-N 1 0 309.163 2.369 50 0 DEAARO CCCc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)cc1 ZINC000019790840 276055749 /nfs/dbraw/zinc/05/57/49/276055749.db2.gz JSWOVPBZMRZSFJ-KRWDZBQOSA-N 1 0 306.450 2.016 50 0 DEAARO CCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000067724285 276124541 /nfs/dbraw/zinc/12/45/41/276124541.db2.gz DDACHXHBJSIENZ-INIZCTEOSA-N 1 0 300.402 2.301 50 0 DEAARO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCC12CCOCC2 ZINC000252490826 276230013 /nfs/dbraw/zinc/23/00/13/276230013.db2.gz LCIGKVCXVBWGBX-HNNXBMFYSA-N 1 0 311.470 2.367 50 0 DEAARO CC[NH+](CC)CCNC(=O)CN1CCSc2ccccc21 ZINC000021093547 276326540 /nfs/dbraw/zinc/32/65/40/276326540.db2.gz TXDCFPPMBKYKRE-UHFFFAOYSA-N 1 0 307.463 2.057 50 0 DEAARO CCc1nnsc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000058282096 276707604 /nfs/dbraw/zinc/70/76/04/276707604.db2.gz HUZBJAXPEVFZSG-CQSZACIVSA-N 1 0 318.446 2.442 50 0 DEAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000026781657 277080740 /nfs/dbraw/zinc/08/07/40/277080740.db2.gz VRBMFTHOXXVRCP-CKEIUWERSA-N 1 0 320.433 2.363 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CCO)C1 ZINC000328597990 277186797 /nfs/dbraw/zinc/18/67/97/277186797.db2.gz JZDTULJFKHDDJW-LSDHHAIUSA-N 1 0 312.454 2.480 50 0 DEAARO COC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000225459590 277194070 /nfs/dbraw/zinc/19/40/70/277194070.db2.gz NYQMMSFZVPYSGJ-PBHICJAKSA-N 1 0 319.449 2.498 50 0 DEAARO C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCO1 ZINC000247432084 533690236 /nfs/dbraw/zinc/69/02/36/533690236.db2.gz MEESYWPMEFQOTO-CWRNSKLLSA-N 1 0 309.454 2.118 50 0 DEAARO C[C@@H]1C[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000271495965 278012569 /nfs/dbraw/zinc/01/25/69/278012569.db2.gz HBXVSKAUHCRDHU-BFYDXBDKSA-N 1 0 319.449 2.404 50 0 DEAARO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CCCSC2)C1=O ZINC000097084624 278056224 /nfs/dbraw/zinc/05/62/24/278056224.db2.gz PPXDAVIWBRFNIX-STQMWFEESA-N 1 0 306.431 2.286 50 0 DEAARO C[C@H](C1CCN(C(=O)CCCn2cccn2)CC1)[NH+]1CCCC1 ZINC000072432198 278161609 /nfs/dbraw/zinc/16/16/09/278161609.db2.gz KZLNGCRNCHLGAZ-MRXNPFEDSA-N 1 0 318.465 2.386 50 0 DEAARO CC(C)(C)N1C[C@@H]([NH2+][C@@H](Cc2ccccn2)C2CC2)CC1=O ZINC000090178366 278352168 /nfs/dbraw/zinc/35/21/68/278352168.db2.gz GVMGGDUDBXZOKT-HOTGVXAUSA-N 1 0 301.434 2.392 50 0 DEAARO CC[NH+](CC)CCNC(=O)CN1C[C@H](C)Sc2ccccc21 ZINC000021093734 279105582 /nfs/dbraw/zinc/10/55/82/279105582.db2.gz QSDPHQMAHYOGQC-AWEZNQCLSA-N 1 0 321.490 2.445 50 0 DEAARO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000241693868 279261422 /nfs/dbraw/zinc/26/14/22/279261422.db2.gz QIKRVBKPCNWHMZ-ARFHVFGLSA-N 1 0 321.465 2.118 50 0 DEAARO O=C1OCCN1c1cccc2c1CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000095426335 280306383 /nfs/dbraw/zinc/30/63/83/280306383.db2.gz 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ZINC000022034435 623369236 /nfs/dbraw/zinc/36/92/36/623369236.db2.gz ZDAWORQOGMXJHC-UHFFFAOYSA-N 1 0 307.619 2.338 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CCOCC2)CN1CCc1cccc(Cl)c1 ZINC000011770149 635760233 /nfs/dbraw/zinc/76/02/33/635760233.db2.gz ZJQQDXOCHVSENZ-MRXNPFEDSA-N 1 0 322.836 2.252 50 0 DEAARO CCCN1CC[N@@H+]([C@@H]2CCc3ccc(OC)cc3C2)CCC1=O ZINC000012212682 636056298 /nfs/dbraw/zinc/05/62/98/636056298.db2.gz NXXRXNAEKOBFFF-QGZVFWFLSA-N 1 0 316.445 2.497 50 0 DEAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000012749866 636079991 /nfs/dbraw/zinc/07/99/91/636079991.db2.gz MTJNOPUKMNYIID-SFHVURJKSA-N 1 0 316.445 2.236 50 0 DEAARO CC1(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC[NH2+]CC1 ZINC000020149386 683859236 /nfs/dbraw/zinc/85/92/36/683859236.db2.gz MFRKHILPQWNIHG-MRXNPFEDSA-N 1 0 312.417 2.130 50 0 DEAARO CCc1csc(CNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)n1 ZINC000063870383 683922908 /nfs/dbraw/zinc/92/29/08/683922908.db2.gz OFILSYDVANTQDM-GDBMZVCRSA-N 1 0 309.479 2.175 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2CCCCC(=O)N2)c(C[NH+](C)C)c1 ZINC000194123963 685057531 /nfs/dbraw/zinc/05/75/31/685057531.db2.gz YPAHGORHHWFXPU-HNNXBMFYSA-N 1 0 303.406 2.054 50 0 DEAARO COc1ccc2nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c(C)cc2c1 ZINC000222121957 719370391 /nfs/dbraw/zinc/37/03/91/719370391.db2.gz SNQMFKWYMUYNLH-SJORKVTESA-N 1 0 313.401 2.071 50 0 DEAARO COc1ccc2nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c(C)cc2c1 ZINC000091622794 719370431 /nfs/dbraw/zinc/37/04/31/719370431.db2.gz SNQMFKWYMUYNLH-IAGOWNOFSA-N 1 0 313.401 2.071 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000581806329 784784547 /nfs/dbraw/zinc/78/45/47/784784547.db2.gz OWQHPWVAAFMSLA-AWEZNQCLSA-N 1 0 313.405 2.280 50 0 DEAARO c1sc(C[NH2+]C[C@@H]2CSCCS2)c2c1OCCO2 ZINC000585118632 789706612 /nfs/dbraw/zinc/70/66/12/789706612.db2.gz WLJKKUDDLBBKDG-SECBINFHSA-N 1 0 303.474 2.458 50 0 DEAARO COc1cc(OC)c(OC)cc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C ZINC000043164435 791238853 /nfs/dbraw/zinc/23/88/53/791238853.db2.gz SSEQCNMXUZEZGH-HIFRSBDPSA-N 1 0 320.433 2.381 50 0 DEAARO Cc1csc2c1ncnc2NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000952872570 792790893 /nfs/dbraw/zinc/79/08/93/792790893.db2.gz PKZGVHNZUOKINH-LBPRGKRZSA-N 1 0 306.435 2.116 50 0 DEAARO [NH3+][C@H](CC(=O)Nc1ccc(Oc2nn[nH]n2)cc1)c1ccccc1 ZINC000952974030 792833906 /nfs/dbraw/zinc/83/39/06/792833906.db2.gz PQCALQVRESVICV-CQSZACIVSA-N 1 0 324.344 2.021 50 0 DEAARO Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)n(C)c1C ZINC000952966938 792849222 /nfs/dbraw/zinc/84/92/22/792849222.db2.gz HKIVUGIOEONSDI-CQSZACIVSA-N 1 0 316.405 2.024 50 0 DEAARO Cc1nnc(CN2CCC[C@H](CNC(=O)c3ccoc3)C2)s1 ZINC000952985449 792864734 /nfs/dbraw/zinc/86/47/34/792864734.db2.gz HFUPGLALCIWJHO-GFCCVEGCSA-N 1 0 320.418 2.082 50 0 DEAARO CN1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)CC1=O ZINC000952991018 792873084 /nfs/dbraw/zinc/87/30/84/792873084.db2.gz YOXSMHSQZGWZEJ-HNNXBMFYSA-N 1 0 315.417 2.089 50 0 DEAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2ccnc2)C1(C)C ZINC000404706054 802028305 /nfs/dbraw/zinc/02/83/05/802028305.db2.gz JFUSNEPREFQXDB-QWHCGFSZSA-N 1 0 308.426 2.165 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNc1ccc(-c2ccccc2)nn1 ZINC001529104015 1070855160 /nfs/dbraw/zinc/85/51/60/1070855160.db2.gz JXYVDEKMJKJJCX-MRXNPFEDSA-N 1 0 312.417 2.402 50 0 DEAARO O[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1Cc1cnccn1 ZINC001529172104 1070900264 /nfs/dbraw/zinc/90/02/64/1070900264.db2.gz INTNFDLLGQFPIM-ZWNOBZJWSA-N 1 0 309.822 2.227 50 0 DEAARO O=C1CC[C@@H]([NH+]2CCC3(CCCO3)CC2)CCN1CC1CC1 ZINC001506408822 1061951760 /nfs/dbraw/zinc/95/17/60/1061951760.db2.gz XRUCLEZLFRGQAY-MRXNPFEDSA-N 1 0 306.450 2.423 50 0 DEAARO c1ccc2c(c1)C[C@H](C[NH+]1CCN(c3cnccn3)CC1)CCO2 ZINC000095496663 185374226 /nfs/dbraw/zinc/37/42/26/185374226.db2.gz BCYOLTWXVKBDTA-MRXNPFEDSA-N 1 0 324.428 2.240 50 0 DEAARO COc1nccnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000095517841 185376743 /nfs/dbraw/zinc/37/67/43/185376743.db2.gz RSWRGHSEWYWHIE-UHFFFAOYSA-N 1 0 316.380 2.337 50 0 DEAARO COCC(=O)N1CC[NH+](C[C@H](c2ccccc2)C(C)C)CC1 ZINC000225412610 201705027 /nfs/dbraw/zinc/70/50/27/201705027.db2.gz SWRJFYUZCLFZLW-KRWDZBQOSA-N 1 0 304.434 2.217 50 0 DEAARO C[C@@H](CNC(=O)NCc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000078923920 185130032 /nfs/dbraw/zinc/13/00/32/185130032.db2.gz LEBJLJNYXCLUPV-HNNXBMFYSA-N 1 0 312.417 2.401 50 0 DEAARO Cc1nnc(COc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)o1 ZINC000079310338 185164205 /nfs/dbraw/zinc/16/42/05/185164205.db2.gz FPQHQXFDWVQTAI-UHFFFAOYSA-N 1 0 318.377 2.236 50 0 DEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000082160598 185174187 /nfs/dbraw/zinc/17/41/87/185174187.db2.gz SVSYNRDDYXLRLP-UHFFFAOYSA-N 1 0 317.481 2.483 50 0 DEAARO CCc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cnn1C(C)(C)C ZINC000299738693 529475591 /nfs/dbraw/zinc/47/55/91/529475591.db2.gz FHTLDAYPUHKIGZ-STQMWFEESA-N 1 0 306.454 2.400 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(Br)c2C)C1 ZINC000088442012 185250697 /nfs/dbraw/zinc/25/06/97/185250697.db2.gz ZNYDEPCRUCPYHF-NSHDSACASA-N 1 0 311.223 2.439 50 0 DEAARO Cc1c(Br)cccc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000088441951 185250741 /nfs/dbraw/zinc/25/07/41/185250741.db2.gz CUXQHLNTATZHBG-NSHDSACASA-N 1 0 311.223 2.487 50 0 DEAARO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC([C@H]3CCCO3)CC2)C1 ZINC000252571461 282203956 /nfs/dbraw/zinc/20/39/56/282203956.db2.gz XWZNOPXFFIFMKR-BZUAXINKSA-N 1 0 309.454 2.070 50 0 DEAARO CCOc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC ZINC000089990989 185275274 /nfs/dbraw/zinc/27/52/74/185275274.db2.gz PTFPFEDLYGUAOF-CZUORRHYSA-N 1 0 320.433 2.440 50 0 DEAARO C[C@H](Cn1cncn1)[NH2+]Cc1cc(F)ccc1Br ZINC000090171818 185284651 /nfs/dbraw/zinc/28/46/51/185284651.db2.gz OJTJLXQXTPHTNX-SECBINFHSA-N 1 0 313.174 2.358 50 0 DEAARO CCN(CC)c1ncc(C[NH+]2CCC(n3cncn3)CC2)s1 ZINC000092647542 185331322 /nfs/dbraw/zinc/33/13/22/185331322.db2.gz HOGXPYZGKLPALM-UHFFFAOYSA-N 1 0 320.466 2.418 50 0 DEAARO C[C@@H](C1CCN(c2ccc(Cn3ccnc3)cn2)CC1)[NH+](C)C ZINC000082134663 192361322 /nfs/dbraw/zinc/36/13/22/192361322.db2.gz SHSYUGNETWHHMK-HNNXBMFYSA-N 1 0 313.449 2.493 50 0 DEAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000095420234 185360243 /nfs/dbraw/zinc/36/02/43/185360243.db2.gz YBHHQYDNVRTGEF-ZIAGYGMSSA-N 1 0 320.433 2.059 50 0 DEAARO COc1ccccc1[C@H](C)[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000095423657 185361255 /nfs/dbraw/zinc/36/12/55/185361255.db2.gz YYTCLIYTNVEEHT-YOEHRIQHSA-N 1 0 320.433 2.229 50 0 DEAARO O=C(c1ccn2c[nH+]cc2c1)N(CCO)CCc1ccccc1 ZINC000095441455 185366422 /nfs/dbraw/zinc/36/64/22/185366422.db2.gz XXEYZINWMWYCIE-UHFFFAOYSA-N 1 0 309.369 2.012 50 0 DEAARO CN1CCC[C@H]([NH+]2CCC(OCc3ccccc3)CC2)C1=O ZINC000095466125 185371884 /nfs/dbraw/zinc/37/18/84/185371884.db2.gz AUKNVMRCAHGRPV-KRWDZBQOSA-N 1 0 302.418 2.288 50 0 DEAARO C[N@H+]1CC=C(CNC(=O)CCCOCc2ccccc2)CC1 ZINC000095463249 185371265 /nfs/dbraw/zinc/37/12/65/185371265.db2.gz FRNBAXDPNBMVQM-UHFFFAOYSA-N 1 0 302.418 2.362 50 0 DEAARO [NH3+]C1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000097019371 185398020 /nfs/dbraw/zinc/39/80/20/185398020.db2.gz ASLBZDASNQTRDC-UHFFFAOYSA-N 1 0 312.373 2.177 50 0 DEAARO [NH3+][C@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 ZINC000095466791 185372151 /nfs/dbraw/zinc/37/21/51/185372151.db2.gz IVXCZCZTIFLMJS-IRXDYDNUSA-N 1 0 314.385 2.487 50 0 DEAARO CN(CCC[NH+]1CCCC1)C(=O)c1cccc2c1OCC(=O)N2 ZINC000328591523 529886553 /nfs/dbraw/zinc/88/65/53/529886553.db2.gz UBVNXXZKGIYOOI-UHFFFAOYSA-N 1 0 317.389 2.225 50 0 DEAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2c[nH]nc2C(C)(C)C)cn1 ZINC000084241060 539393323 /nfs/dbraw/zinc/39/33/23/539393323.db2.gz LUCQWUSFOBWZJY-WFASDCNBSA-N 1 0 317.437 2.308 50 0 DEAARO CC(C)(C[NH2+]Cc1ccc(Cl)s1)N1CCS(=O)CC1 ZINC000085329636 539400159 /nfs/dbraw/zinc/40/01/59/539400159.db2.gz VGFIUHCDXNOMRA-UHFFFAOYSA-N 1 0 320.911 2.334 50 0 DEAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736337 539398026 /nfs/dbraw/zinc/39/80/26/539398026.db2.gz DSQLLZBVEGTICX-BBRMVZONSA-N 1 0 308.422 2.145 50 0 DEAARO Cc1sc2ncnc(N3CCO[C@@H](CC[NH+](C)C)C3)c2c1C ZINC000039360164 282491221 /nfs/dbraw/zinc/49/12/21/282491221.db2.gz VKNHOAZFQHAFKQ-ZDUSSCGKSA-N 1 0 320.462 2.465 50 0 DEAARO C[NH2+][C@@]1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1 ZINC000004836898 290817155 /nfs/dbraw/zinc/81/71/55/290817155.db2.gz QSCGGSJEIOJUPT-KRWDZBQOSA-N 1 0 315.421 2.283 50 0 DEAARO Cc1ccc(CCNC(=O)CC[C@@H](C)[NH+]2CCOCC2)s1 ZINC000219367614 539727118 /nfs/dbraw/zinc/72/71/18/539727118.db2.gz BRDUUBYZVJIVOE-CYBMUJFWSA-N 1 0 310.463 2.216 50 0 DEAARO COc1ccc(CC[C@H]2CCCN(C(=O)C3([NH3+])CC3)C2)cc1 ZINC000071749704 191022177 /nfs/dbraw/zinc/02/21/77/191022177.db2.gz XSQITFCPXODDRC-OAHLLOKOSA-N 1 0 302.418 2.358 50 0 DEAARO C[NH+](C)CCNc1cc(-c2ccc(C(N)=O)cc2)c2cc[nH]c2n1 ZINC000072129722 191044805 /nfs/dbraw/zinc/04/48/05/191044805.db2.gz VIQZQFUPRNWMBY-UHFFFAOYSA-N 1 0 323.400 2.302 50 0 DEAARO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072141699 191049573 /nfs/dbraw/zinc/04/95/73/191049573.db2.gz GTIMBAYORPYQKB-INIZCTEOSA-N 1 0 301.434 2.326 50 0 DEAARO Cc1ccc(F)cc1NC(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072144936 191050578 /nfs/dbraw/zinc/05/05/78/191050578.db2.gz IYILSPFCICVZPC-KRWDZBQOSA-N 1 0 323.412 2.445 50 0 DEAARO O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072145748 191051883 /nfs/dbraw/zinc/05/18/83/191051883.db2.gz HOYLEBZOXZDIOF-KRWDZBQOSA-N 1 0 324.428 2.170 50 0 DEAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000072146931 191053508 /nfs/dbraw/zinc/05/35/08/191053508.db2.gz YOXGYPNFFXCHBO-LLVKDONJSA-N 1 0 306.259 2.162 50 0 DEAARO CN1C[C@@]2(CCC[N@H+](Cc3cnn(C)c3C3CC3)CC2)OC1=O ZINC000072153549 191057517 /nfs/dbraw/zinc/05/75/17/191057517.db2.gz DSWSEOJEEBNGIG-KRWDZBQOSA-N 1 0 318.421 2.104 50 0 DEAARO Cc1nc(-c2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)cs1 ZINC000072153315 191057935 /nfs/dbraw/zinc/05/79/35/191057935.db2.gz QTCUEELPAWTCKO-AWEZNQCLSA-N 1 0 317.414 2.436 50 0 DEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072157283 191060414 /nfs/dbraw/zinc/06/04/14/191060414.db2.gz GPEYJJXIIDEFRN-UHFFFAOYSA-N 1 0 318.396 2.185 50 0 DEAARO O=C(N[C@H]1CCc2nccn2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000072278564 191100625 /nfs/dbraw/zinc/10/06/25/191100625.db2.gz PUPVJNVPPIUQCS-KRWDZBQOSA-N 1 0 324.428 2.224 50 0 DEAARO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000072278357 191100080 /nfs/dbraw/zinc/10/00/80/191100080.db2.gz SVMOHXQGBVXYJF-QGZVFWFLSA-N 1 0 304.434 2.107 50 0 DEAARO CC(C)C(=O)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000072282578 191102287 /nfs/dbraw/zinc/10/22/87/191102287.db2.gz GRBKRARIEDQXSP-INIZCTEOSA-N 1 0 308.397 2.096 50 0 DEAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1 ZINC000183842217 186223255 /nfs/dbraw/zinc/22/32/55/186223255.db2.gz QCUPXOJQHCAKED-MRXNPFEDSA-N 1 0 319.401 2.448 50 0 DEAARO Cn1nc2c(cc1=O)C[N@@H+](CCc1ccccc1Cl)CC2 ZINC000072302413 191115818 /nfs/dbraw/zinc/11/58/18/191115818.db2.gz RRAWTQWISZJMHV-UHFFFAOYSA-N 1 0 303.793 2.035 50 0 DEAARO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000225674632 186288318 /nfs/dbraw/zinc/28/83/18/186288318.db2.gz RYUJRCHJOFVXFL-RHSMWYFYSA-N 1 0 319.380 2.263 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237490852 186296599 /nfs/dbraw/zinc/29/65/99/186296599.db2.gz YGYRJZMYNCRADD-SNVBAGLBSA-N 1 0 314.788 2.457 50 0 DEAARO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3c3ccccc3)C2=O)cn1 ZINC000253369383 186300689 /nfs/dbraw/zinc/30/06/89/186300689.db2.gz BXRDBLIVYVPQMK-BZSNNMDCSA-N 1 0 324.428 2.451 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C ZINC000253371011 186301526 /nfs/dbraw/zinc/30/15/26/186301526.db2.gz ZLHMPQHECKCFLB-WTTBNOFXSA-N 1 0 302.418 2.048 50 0 DEAARO CC1(C)[C@H]([NH2+]CCNC(=O)CC2CCCC2)[C@@H]2CCCO[C@H]21 ZINC000253370996 186301815 /nfs/dbraw/zinc/30/18/15/186301815.db2.gz ZGPLZSQPINDOCW-USXIJHARSA-N 1 0 308.466 2.476 50 0 DEAARO O=C(CCCn1cccn1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253396885 186305763 /nfs/dbraw/zinc/30/57/63/186305763.db2.gz BHQWQTOOBSZEJI-HZPDHXFCSA-N 1 0 304.438 2.044 50 0 biogenic DEAARO Cc1nn(C)c(C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000072313346 191119257 /nfs/dbraw/zinc/11/92/57/191119257.db2.gz UHFMLNNOFPKANV-LBPRGKRZSA-N 1 0 306.454 2.277 50 0 DEAARO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072431290 191162249 /nfs/dbraw/zinc/16/22/49/191162249.db2.gz GDRUNQYEMZKOGZ-QGZVFWFLSA-N 1 0 304.434 2.101 50 0 DEAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072433768 191165018 /nfs/dbraw/zinc/16/50/18/191165018.db2.gz ZXXKKLOQDVELKV-INIZCTEOSA-N 1 0 304.434 2.166 50 0 DEAARO Cc1nccn1CC(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000299755030 539859856 /nfs/dbraw/zinc/85/98/56/539859856.db2.gz BWRAIGCAOQJVQH-INIZCTEOSA-N 1 0 300.406 2.001 50 0 DEAARO CCCC[N@H+](C)CCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163339 181079997 /nfs/dbraw/zinc/07/99/97/181079997.db2.gz KTWWDESBBFOOIF-UHFFFAOYSA-N 1 0 301.390 2.199 50 0 DEAARO COc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000072276716 354899676 /nfs/dbraw/zinc/89/96/76/354899676.db2.gz IBPOVTNOEDQDPA-HNNXBMFYSA-N 1 0 316.380 2.383 50 0 DEAARO CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000072277931 354899862 /nfs/dbraw/zinc/89/98/62/354899862.db2.gz KQCVBIJRBAWNBA-KGLIPLIRSA-N 1 0 320.437 2.383 50 0 DEAARO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)NCC1CCC1 ZINC000076108105 355126403 /nfs/dbraw/zinc/12/64/03/355126403.db2.gz CRKKRXWKDUHPPZ-MSOLQXFVSA-N 1 0 316.445 2.491 50 0 DEAARO CO[C@H]1CCCC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000074758851 191356444 /nfs/dbraw/zinc/35/64/44/191356444.db2.gz KZIONSYMPNOCGX-CVEARBPZSA-N 1 0 311.470 2.317 50 0 DEAARO CCO[C@H](C)c1nc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cs1 ZINC000078896352 355284168 /nfs/dbraw/zinc/28/41/68/355284168.db2.gz PBESCJYWNLSOID-NQBHXWOUSA-N 1 0 311.451 2.263 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc3cc(C)ccn23)[C@H](C)C1 ZINC000078897606 355284181 /nfs/dbraw/zinc/28/41/81/355284181.db2.gz UZCZOMGKMSSBOO-GDBMZVCRSA-N 1 0 314.433 2.379 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@H]1[NH+](C)C ZINC000089948319 355549712 /nfs/dbraw/zinc/54/97/12/355549712.db2.gz XTCLTRXASFWMGE-DGCLKSJQSA-N 1 0 312.845 2.070 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000005050538 181196731 /nfs/dbraw/zinc/19/67/31/181196731.db2.gz MYTGYLYFMWBPSL-LZWOXQAQSA-N 1 0 321.417 2.271 50 0 DEAARO C[NH+](C)CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000005092188 181203014 /nfs/dbraw/zinc/20/30/14/181203014.db2.gz MHWAQVBQOKCHCC-UHFFFAOYSA-N 1 0 304.781 2.483 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000097102549 355702219 /nfs/dbraw/zinc/70/22/19/355702219.db2.gz ZERHHPRJPMXCEG-QOZQQMKHSA-N 1 0 312.360 2.035 50 0 DEAARO C[C@H](C[NH2+]Cc1ncnn1C)c1cccc(Br)c1 ZINC000097230466 355703044 /nfs/dbraw/zinc/70/30/44/355703044.db2.gz SZIKSCCOPQKNSG-SNVBAGLBSA-N 1 0 309.211 2.471 50 0 DEAARO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccncc1 ZINC000097370715 355704525 /nfs/dbraw/zinc/70/45/25/355704525.db2.gz LYDJBNOSDBYJAY-NSHDSACASA-N 1 0 305.328 2.327 50 0 DEAARO CCCC[NH+]1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000097939144 355705714 /nfs/dbraw/zinc/70/57/14/355705714.db2.gz RKKLMLZSNHGDLW-UHFFFAOYSA-N 1 0 300.406 2.201 50 0 DEAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CCN(CC(N)=O)CC1 ZINC000122845280 355802089 /nfs/dbraw/zinc/80/20/89/355802089.db2.gz IPPBVTVCHMPNMT-SJORKVTESA-N 1 0 315.461 2.108 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)Cc2ccsc2)CC1 ZINC000169751764 355981252 /nfs/dbraw/zinc/98/12/52/355981252.db2.gz HIOCVZBLOGGXRD-OAHLLOKOSA-N 1 0 322.474 2.250 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)c2ccc(F)cc2)CC1 ZINC000169792337 355984927 /nfs/dbraw/zinc/98/49/27/355984927.db2.gz YIOKDCVRJKXWEP-CQSZACIVSA-N 1 0 320.408 2.399 50 0 DEAARO CC(C)[NH2+]CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000170089302 355985958 /nfs/dbraw/zinc/98/59/58/355985958.db2.gz DRYFXOMHXLAUIX-UHFFFAOYSA-N 1 0 307.413 2.474 50 0 DEAARO Cc1cc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000230575532 356283605 /nfs/dbraw/zinc/28/36/05/356283605.db2.gz JJTKWVVWMDABAK-INIZCTEOSA-N 1 0 313.401 2.431 50 0 DEAARO CC1(C)[C@H]([NH2+]CCc2nc(-c3ccco3)n[nH]2)[C@@H]2CCO[C@H]21 ZINC000253370645 356336437 /nfs/dbraw/zinc/33/64/37/356336437.db2.gz UGCSHNLHLJJXPM-ZLKJLUDKSA-N 1 0 302.378 2.010 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)COCCc1ccccc1 ZINC000257365625 356338792 /nfs/dbraw/zinc/33/87/92/356338792.db2.gz ANOQXKMFQZDERR-ZWKOTPCHSA-N 1 0 316.445 2.331 50 0 DEAARO COc1ccc(-c2cn(O)c3c([n+]2=O)CCCC3)c(OC)c1 ZINC000334157778 356473857 /nfs/dbraw/zinc/47/38/57/356473857.db2.gz SYRMBRKHLCZWHF-UHFFFAOYSA-N 1 0 303.338 2.203 50 0 DEAARO CN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2C1 ZINC000237076618 202145459 /nfs/dbraw/zinc/14/54/59/202145459.db2.gz PRSMDYDZCNYYTG-ZXFUBFMLSA-N 1 0 313.445 2.386 50 0 DEAARO CO[C@@H](C[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1)C1CCCCC1 ZINC000585094274 540256206 /nfs/dbraw/zinc/25/62/06/540256206.db2.gz ABZPJOIKIOBYTR-HOTGVXAUSA-N 1 0 322.453 2.262 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237161411 202171705 /nfs/dbraw/zinc/17/17/05/202171705.db2.gz SBNHAYJWHLTJLK-CVEARBPZSA-N 1 0 301.434 2.373 50 0 DEAARO c1cc(CN2CCC([NH2+]C3CSCCSC3)CC2)ccn1 ZINC000584893341 357328114 /nfs/dbraw/zinc/32/81/14/357328114.db2.gz PJXKNRKFMDXRIE-UHFFFAOYSA-N 1 0 323.531 2.484 50 0 DEAARO Cc1nonc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000584896513 357329503 /nfs/dbraw/zinc/32/95/03/357329503.db2.gz GYLYPYUPOZMMHX-UHFFFAOYSA-N 1 0 300.406 2.175 50 0 DEAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237664231 202321524 /nfs/dbraw/zinc/32/15/24/202321524.db2.gz BKYDTFBELJTSKJ-DTWKUNHWSA-N 1 0 303.189 2.320 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000237692944 202329393 /nfs/dbraw/zinc/32/93/93/202329393.db2.gz JOMFIDWEQCLVIB-CVEARBPZSA-N 1 0 316.445 2.287 50 0 DEAARO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000237838150 202367415 /nfs/dbraw/zinc/36/74/15/202367415.db2.gz XXXHNJAOMXZLNU-AWEZNQCLSA-N 1 0 316.405 2.432 50 0 DEAARO C[NH2+]CC(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000091435298 283500645 /nfs/dbraw/zinc/50/06/45/283500645.db2.gz PPDYHZQKMQWKSY-GFCCVEGCSA-N 1 0 304.438 2.123 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000237942978 202398829 /nfs/dbraw/zinc/39/88/29/202398829.db2.gz MAGHUEVQSKSUDX-GDBMZVCRSA-N 1 0 312.417 2.396 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 ZINC000237961689 202405169 /nfs/dbraw/zinc/40/51/69/202405169.db2.gz IFOHTXNWLNNGJA-FSIBCCDJSA-N 1 0 315.236 2.474 50 0 DEAARO COc1cc(Br)ccc1[C@H](C)NC(=O)C[NH+](C)C ZINC000189145205 200355914 /nfs/dbraw/zinc/35/59/14/200355914.db2.gz DUFDHNWQLFJBHF-VIFPVBQESA-N 1 0 315.211 2.197 50 0 DEAARO Cc1ncn(CCNC(=O)C2([NH+]3CCCC3)CCCC2)c1C ZINC000670440836 540933836 /nfs/dbraw/zinc/93/38/36/540933836.db2.gz XLYYNCYVOIAMTL-UHFFFAOYSA-N 1 0 304.438 2.025 50 0 DEAARO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc2cnccn12 ZINC000670441477 540933946 /nfs/dbraw/zinc/93/39/46/540933946.db2.gz LJSIGGACIWJTGE-HNNXBMFYSA-N 1 0 321.428 2.266 50 0 DEAARO Cc1nc(C[N@H+](C)C[C@H]2CC(=O)N(C(C)(C)C)C2)n(C)c1C ZINC000670467132 540937865 /nfs/dbraw/zinc/93/78/65/540937865.db2.gz IAGLTFGDCPAMRY-CQSZACIVSA-N 1 0 306.454 2.116 50 0 DEAARO Cc1nsc(NC2CC2)c1C(=O)NCC[NH+]1CCCCC1 ZINC000292587269 223161780 /nfs/dbraw/zinc/16/17/80/223161780.db2.gz BCKWKORZEHBJGW-UHFFFAOYSA-N 1 0 308.451 2.242 50 0 DEAARO CNc1nc(CN2CCC([NH+]3CCSCC3)CC2)cs1 ZINC000244719142 202490621 /nfs/dbraw/zinc/49/06/21/202490621.db2.gz LXWUNTSIRKKZFB-UHFFFAOYSA-N 1 0 312.508 2.198 50 0 DEAARO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 ZINC000194865954 201304152 /nfs/dbraw/zinc/30/41/52/201304152.db2.gz XVKJJAWJYOWPII-YOEHRIQHSA-N 1 0 322.474 2.251 50 0 DEAARO O=C(NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1F ZINC000271844096 209261553 /nfs/dbraw/zinc/26/15/53/209261553.db2.gz HHHYYFBMYIEJLA-IMJJTQAJSA-N 1 0 318.392 2.103 50 0 DEAARO CCC(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006559920 181354961 /nfs/dbraw/zinc/35/49/61/181354961.db2.gz WZFIRRONQPHKOQ-UHFFFAOYSA-N 1 0 309.435 2.052 50 0 DEAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000091586080 193075270 /nfs/dbraw/zinc/07/52/70/193075270.db2.gz KPKJLBXLTSPOQR-CQSZACIVSA-N 1 0 315.417 2.059 50 0 DEAARO COc1ccc([C@@H]2C[N@H+](CC3CCC3)C[C@H]2NC(C)=O)cc1 ZINC000091595435 193077974 /nfs/dbraw/zinc/07/79/74/193077974.db2.gz NTPNPFQBDXTCDE-ZWKOTPCHSA-N 1 0 302.418 2.399 50 0 DEAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091603448 193078357 /nfs/dbraw/zinc/07/83/57/193078357.db2.gz GYCXOUKHONEBPE-ZDUSSCGKSA-N 1 0 314.364 2.432 50 0 DEAARO CCCCc1c(C)[nH+]c(N)nc1NCCC(=O)N1CCCC1 ZINC000091649926 193084788 /nfs/dbraw/zinc/08/47/88/193084788.db2.gz FTDYNQPPYOLKHC-UHFFFAOYSA-N 1 0 305.426 2.134 50 0 DEAARO CCN(CC)c1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1 ZINC000091664847 193086671 /nfs/dbraw/zinc/08/66/71/193086671.db2.gz BAMGFORGUOYWLS-SJORKVTESA-N 1 0 301.434 2.342 50 0 DEAARO NC(=O)C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000091675347 193089440 /nfs/dbraw/zinc/08/94/40/193089440.db2.gz ZWBQPKWCNLLIGI-LLVKDONJSA-N 1 0 314.788 2.445 50 0 DEAARO Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091745371 193100764 /nfs/dbraw/zinc/10/07/64/193100764.db2.gz WFRBHBDBKFMCMV-YPMHNXCESA-N 1 0 314.838 2.006 50 0 DEAARO CCOc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000091793338 193108901 /nfs/dbraw/zinc/10/89/01/193108901.db2.gz XCXMYGIGAMHQJT-QZTJIDSGSA-N 1 0 318.461 2.221 50 0 DEAARO Cn1ccnc1C1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000091873039 193120812 /nfs/dbraw/zinc/12/08/12/193120812.db2.gz BWEWVFXEHYFGAU-UHFFFAOYSA-N 1 0 318.465 2.392 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000091921478 193127281 /nfs/dbraw/zinc/12/72/81/193127281.db2.gz 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Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccco2)on1 ZINC000106108412 194184770 /nfs/dbraw/zinc/18/47/70/194184770.db2.gz YWUBYYUQBPYHMN-UKRRQHHQSA-N 1 0 306.362 2.291 50 0 DEAARO C[C@@H]1C[N@H+](C)CC[C@H]1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC000106578299 194232189 /nfs/dbraw/zinc/23/21/89/194232189.db2.gz AUIQXCSJPFLOBT-ZWNOBZJWSA-N 1 0 300.324 2.374 50 0 DEAARO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCC[C@H](C(F)(F)F)C1 ZINC000110620960 194343412 /nfs/dbraw/zinc/34/34/12/194343412.db2.gz PAUIMHAOTLDLHI-STQMWFEESA-N 1 0 322.371 2.024 50 0 DEAARO [NH2+]=C(NCc1ccccc1CN1CCOCC1)NC1CCCC1 ZINC000058064528 184072976 /nfs/dbraw/zinc/07/29/76/184072976.db2.gz DRHXFEIYNLWTTO-UHFFFAOYSA-N 1 0 316.449 2.075 50 0 DEAARO O=C(COCc1ccccc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058174081 184084567 /nfs/dbraw/zinc/08/45/67/184084567.db2.gz UXRXOYRODKUQGS-ZDUSSCGKSA-N 1 0 308.809 2.210 50 0 DEAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2F)cc2c1OCO2 ZINC000058264067 184095302 /nfs/dbraw/zinc/09/53/02/184095302.db2.gz 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314.389 2.229 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)s1 ZINC000237478400 257238733 /nfs/dbraw/zinc/23/87/33/257238733.db2.gz SYXIMZAWWGZUDC-BDAKNGLRSA-N 1 0 317.252 2.391 50 0 DEAARO CC(C)n1ccc(CC(=O)NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000071916698 184905002 /nfs/dbraw/zinc/90/50/02/184905002.db2.gz FALAHXUKQPNTSY-HNNXBMFYSA-N 1 0 306.454 2.245 50 0 DEAARO COc1cc(OC)cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000007127164 401736848 /nfs/dbraw/zinc/73/68/48/401736848.db2.gz VDRFXMQMPFISJH-OAHLLOKOSA-N 1 0 323.356 2.341 50 0 DEAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007728759 401743569 /nfs/dbraw/zinc/74/35/69/401743569.db2.gz FTPPNVWPZXFNPZ-UHFFFAOYSA-N 1 0 314.426 2.226 50 0 DEAARO COC(=O)c1sc2nc(C)nc(NCC[NH+](C)C)c2c1C ZINC000007778558 401743965 /nfs/dbraw/zinc/74/39/65/401743965.db2.gz YCCHUGWQGGEUKP-UHFFFAOYSA-N 1 0 308.407 2.068 50 0 DEAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000000057319 401687588 /nfs/dbraw/zinc/68/75/88/401687588.db2.gz 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401693248 /nfs/dbraw/zinc/69/32/48/401693248.db2.gz VRXWXVYKRORZHJ-CQSZACIVSA-N 1 0 307.390 2.479 50 0 DEAARO CC[C@](CO)([NH2+]CC(=O)N1CCCCCC1)c1ccccc1 ZINC000071897109 401694147 /nfs/dbraw/zinc/69/41/47/401694147.db2.gz AZQFRGAZZOKFCH-GOSISDBHSA-N 1 0 304.434 2.276 50 0 DEAARO Clc1cncc(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000071899485 401694456 /nfs/dbraw/zinc/69/44/56/401694456.db2.gz VWKUTOFXYWPRGF-UHFFFAOYSA-N 1 0 310.829 2.069 50 0 DEAARO c1ccc2c(c1)OC[C@@H](C[NH2+]C[C@H]1COc3ccccc3O1)O2 ZINC000000344116 401695231 /nfs/dbraw/zinc/69/52/31/401695231.db2.gz NVVZMJKLSIWBPQ-OKILXGFUSA-N 1 0 313.353 2.256 50 0 DEAARO CC[NH+](CC)CC(=O)NC1CCN(c2cccc(F)c2)CC1 ZINC000071915546 401696782 /nfs/dbraw/zinc/69/67/82/401696782.db2.gz NUHOSJRCEPYBKA-UHFFFAOYSA-N 1 0 307.413 2.253 50 0 DEAARO OCCOCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000071916177 401697364 /nfs/dbraw/zinc/69/73/64/401697364.db2.gz GJXQACCDUXTKHZ-UHFFFAOYSA-N 1 0 314.223 2.427 50 0 DEAARO CC(C)n1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000071916697 401697423 /nfs/dbraw/zinc/69/74/23/401697423.db2.gz FALAHXUKQPNTSY-OAHLLOKOSA-N 1 0 306.454 2.245 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC000071924396 401697988 /nfs/dbraw/zinc/69/79/88/401697988.db2.gz VMPKZDPJGDEAML-UHFFFAOYSA-N 1 0 312.360 2.149 50 0 DEAARO C[C@H](C[NH+]1CCC(C)CC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000000808191 401702739 /nfs/dbraw/zinc/70/27/39/401702739.db2.gz RUYJYMWKKRHAKJ-RHSMWYFYSA-N 1 0 319.401 2.490 50 0 DEAARO CC(=O)N1CCC(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000072253598 401704335 /nfs/dbraw/zinc/70/43/35/401704335.db2.gz WFJAZCGCQBPKMN-QGZVFWFLSA-N 1 0 318.465 2.432 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000072298348 401707740 /nfs/dbraw/zinc/70/77/40/401707740.db2.gz NILAFZYGZMVKHO-DOTOQJQBSA-N 1 0 300.406 2.299 50 0 DEAARO CC1(C)CC(NC(=O)C(=O)Nc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000002291172 401713049 /nfs/dbraw/zinc/71/30/49/401713049.db2.gz KKSLJGRSPUALDN-UHFFFAOYSA-N 1 0 321.396 2.190 50 0 DEAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)CN2CCOCC2)o1 ZINC000195530636 292207655 /nfs/dbraw/zinc/20/76/55/292207655.db2.gz WWNXSDQFHXHFJB-IRXDYDNUSA-N 1 0 322.449 2.198 50 0 DEAARO COc1cccc(C[NH2+]CCO)c1OCc1ccc(F)cc1 ZINC000002862003 401719783 /nfs/dbraw/zinc/71/97/83/401719783.db2.gz IIXRHIAPQLPEBB-UHFFFAOYSA-N 1 0 305.349 2.495 50 0 DEAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014540963 401811885 /nfs/dbraw/zinc/81/18/85/401811885.db2.gz SJQOKAWWDXSFDG-UHFFFAOYSA-N 1 0 315.417 2.324 50 0 DEAARO CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008326257 401751822 /nfs/dbraw/zinc/75/18/22/401751822.db2.gz OKQGQNWLLQFNFN-JTQLQIEISA-N 1 0 318.211 2.327 50 0 DEAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000008394833 401752426 /nfs/dbraw/zinc/75/24/26/401752426.db2.gz SJCORIFUXYWTMQ-UHFFFAOYSA-N 1 0 314.414 2.495 50 0 DEAARO CC(C)(CNS(=O)(=O)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000008945892 401758122 /nfs/dbraw/zinc/75/81/22/401758122.db2.gz RJFCDNDZPCCRIX-UHFFFAOYSA-N 1 0 314.426 2.369 50 0 DEAARO CCOC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c[nH]1 ZINC000075503296 401761247 /nfs/dbraw/zinc/76/12/47/401761247.db2.gz KTRUJCKDIJLWSM-AWEZNQCLSA-N 1 0 307.394 2.393 50 0 DEAARO CC[NH+](CC)CC(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000075560610 401762797 /nfs/dbraw/zinc/76/27/97/401762797.db2.gz VZGRNOADKSCUEV-UHFFFAOYSA-N 1 0 314.433 2.259 50 0 DEAARO COc1ccccc1NC(=[NH2+])Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC000009938434 401766711 /nfs/dbraw/zinc/76/67/11/401766711.db2.gz VIPGPDIUCLZZLE-UHFFFAOYSA-N 1 0 313.361 2.116 50 0 DEAARO COC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863406 401771317 /nfs/dbraw/zinc/77/13/17/401771317.db2.gz MMAYZFQMOKUUGN-BBRMVZONSA-N 1 0 312.841 2.026 50 0 DEAARO CC(C)(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011838612 401776614 /nfs/dbraw/zinc/77/66/14/401776614.db2.gz IEIQNPOGWFSUGS-GOSISDBHSA-N 1 0 322.424 2.315 50 0 DEAARO CC(C)(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011838610 401777070 /nfs/dbraw/zinc/77/70/70/401777070.db2.gz IEIQNPOGWFSUGS-SFHVURJKSA-N 1 0 322.424 2.315 50 0 DEAARO CC[NH+](CC)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000012209293 401781884 /nfs/dbraw/zinc/78/18/84/401781884.db2.gz XSBKDVDRTAIRKN-GOSISDBHSA-N 1 0 304.434 2.190 50 0 DEAARO COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000020540887 401824736 /nfs/dbraw/zinc/82/47/36/401824736.db2.gz HNGUQNMFPRUZTD-CQSZACIVSA-N 1 0 322.449 2.486 50 0 DEAARO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(N)=O ZINC000025215824 401832218 /nfs/dbraw/zinc/83/22/18/401832218.db2.gz FWDWQIXEDYOIEP-GMSGAONNSA-N 1 0 313.810 2.050 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330611 401832969 /nfs/dbraw/zinc/83/29/69/401832969.db2.gz NMHYOKISYUJPPB-AWEZNQCLSA-N 1 0 307.419 2.315 50 0 DEAARO CCc1nnsc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025332179 401833279 /nfs/dbraw/zinc/83/32/79/401833279.db2.gz RTTYDWMTTCFTBG-LLVKDONJSA-N 1 0 310.448 2.195 50 0 DEAARO COc1cc(C[NH2+]CCNC(=O)C(C)C)cc(Cl)c1OC ZINC000025360072 401833382 /nfs/dbraw/zinc/83/33/82/401833382.db2.gz FCVGMFWYNORIAK-UHFFFAOYSA-N 1 0 314.813 2.219 50 0 DEAARO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000078776814 401865985 /nfs/dbraw/zinc/86/59/85/401865985.db2.gz DMRUAJMTRLXRNW-KRWDZBQOSA-N 1 0 318.417 2.455 50 0 DEAARO CC(C)N(C)C(=O)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000078876268 401867406 /nfs/dbraw/zinc/86/74/06/401867406.db2.gz IHLWXRJBXXKEPF-UHFFFAOYSA-N 1 0 314.433 2.413 50 0 DEAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014743869 401813232 /nfs/dbraw/zinc/81/32/32/401813232.db2.gz WCHSBZPMJPNKID-CQSZACIVSA-N 1 0 318.465 2.245 50 0 DEAARO CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077386577 401813236 /nfs/dbraw/zinc/81/32/36/401813236.db2.gz JNYVMQXCKBZZNF-QGZVFWFLSA-N 1 0 302.422 2.010 50 0 DEAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000077408381 401814535 /nfs/dbraw/zinc/81/45/35/401814535.db2.gz ASGHENBBKHIOKL-KRWDZBQOSA-N 1 0 312.417 2.315 50 0 DEAARO Cn1ncc2c1ncnc2N1CC[NH+](CC2CCCCC2)CC1 ZINC000040488140 401924988 /nfs/dbraw/zinc/92/49/88/401924988.db2.gz VYKDPHFOLXDRPF-UHFFFAOYSA-N 1 0 314.437 2.066 50 0 DEAARO COc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c(O)c1 ZINC000032741400 401881859 /nfs/dbraw/zinc/88/18/59/401881859.db2.gz UVGCWGZXCHVHQK-UHFFFAOYSA-N 1 0 314.385 2.392 50 0 DEAARO CCN1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000035392728 401899161 /nfs/dbraw/zinc/89/91/61/401899161.db2.gz DSJSNJOHAOUPTL-GJZGRUSLSA-N 1 0 319.449 2.486 50 0 DEAARO C[C@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000035601419 401900300 /nfs/dbraw/zinc/90/03/00/401900300.db2.gz MDPHHCZLKBKMOQ-VIFPVBQESA-N 1 0 316.195 2.081 50 0 DEAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118564573 401900879 /nfs/dbraw/zinc/90/08/79/401900879.db2.gz ZCBRQCDGKDADTF-ZFWWWQNUSA-N 1 0 311.470 2.221 50 0 DEAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036097000 401902674 /nfs/dbraw/zinc/90/26/74/401902674.db2.gz BNYKFVZYCYRNQJ-MSOLQXFVSA-N 1 0 307.434 2.454 50 0 DEAARO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000084155200 401902850 /nfs/dbraw/zinc/90/28/50/401902850.db2.gz XQDLZQULWYUSPA-MRXNPFEDSA-N 1 0 305.422 2.473 50 0 DEAARO CCCC[N@H+](C)CC1CCN(c2cncc3nncn32)CC1 ZINC000084744344 401909486 /nfs/dbraw/zinc/90/94/86/401909486.db2.gz GGAJPLNLTNQMGX-UHFFFAOYSA-N 1 0 302.426 2.073 50 0 DEAARO Cc1cc(CN2CC[NH+](CCCCn3ccnc3C)CC2)on1 ZINC000089608665 401954398 /nfs/dbraw/zinc/95/43/98/401954398.db2.gz MWTRUOHCTSVHEK-UHFFFAOYSA-N 1 0 317.437 2.086 50 0 DEAARO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000135943315 401955800 /nfs/dbraw/zinc/95/58/00/401955800.db2.gz VUTRUNAWGYHKGI-LBPRGKRZSA-N 1 0 309.458 2.211 50 0 DEAARO COc1cccc(CO[C@H](C)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000046744044 401972424 /nfs/dbraw/zinc/97/24/24/401972424.db2.gz XZHYYTNFJMFZAL-CYBMUJFWSA-N 1 0 308.422 2.057 50 0 DEAARO C[C@@H](C(=O)NCc1ccc(F)c(CO)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000089922771 401973821 /nfs/dbraw/zinc/97/38/21/401973821.db2.gz QOCRGVRAWMDRDJ-UPJWGTAASA-N 1 0 308.397 2.196 50 0 DEAARO O=C(Nc1ccc(F)cc1F)c1nnc([C@H]2CCC[NH2+]2)s1 ZINC000047218837 401980472 /nfs/dbraw/zinc/98/04/72/401980472.db2.gz YITBIFMOWJZUBQ-SNVBAGLBSA-N 1 0 310.329 2.493 50 0 DEAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047703010 401987909 /nfs/dbraw/zinc/98/79/09/401987909.db2.gz JCMNQFGSFFBGAC-MRXNPFEDSA-N 1 0 302.418 2.051 50 0 DEAARO O[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCOC1 ZINC000090850327 401988137 /nfs/dbraw/zinc/98/81/37/401988137.db2.gz GWLNDUKJARUBBJ-QGZVFWFLSA-N 1 0 324.852 2.045 50 0 DEAARO Cc1cc(C)n(CCCNC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000047722374 401988457 /nfs/dbraw/zinc/98/84/57/401988457.db2.gz FKUPKHOJLDXVEH-UHFFFAOYSA-N 1 0 321.469 2.062 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000048236275 401996085 /nfs/dbraw/zinc/99/60/85/401996085.db2.gz RTCYCUNUGQTENB-SMDDNHRTSA-N 1 0 300.362 2.026 50 0 DEAARO [NH3+]CC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000044513006 401944707 /nfs/dbraw/zinc/94/47/07/401944707.db2.gz AKLHOSXJTNUHRJ-UHFFFAOYSA-N 1 0 311.223 2.189 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)NCc1ccccn1)c1cccs1 ZINC000044889758 401949225 /nfs/dbraw/zinc/94/92/25/401949225.db2.gz YQOKQMLHLUIRIU-CYBMUJFWSA-N 1 0 304.419 2.245 50 0 DEAARO C[C@@H]1NC(=O)N(C[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1=O ZINC000048278842 401997189 /nfs/dbraw/zinc/99/71/89/401997189.db2.gz GOILWCPFVKQDID-FZMZJTMJSA-N 1 0 321.808 2.417 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccc3nonc3c2)CC1 ZINC000095355309 402026942 /nfs/dbraw/zinc/02/69/42/402026942.db2.gz OJLJJVPLNRPTLP-UHFFFAOYSA-N 1 0 316.405 2.302 50 0 DEAARO Cc1nc2sccc2c(N[C@@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000095362346 402027720 /nfs/dbraw/zinc/02/77/20/402027720.db2.gz QXONBIGXQMFYHC-NSHDSACASA-N 1 0 304.419 2.323 50 0 DEAARO CCC[C@H]1CN(S(=O)(=O)c2ccc(CC)s2)C[C@@H]1[NH3+] ZINC000095359850 402027861 /nfs/dbraw/zinc/02/78/61/402027861.db2.gz UMYASLNUDSDRHK-JQWIXIFHSA-N 1 0 302.465 2.058 50 0 DEAARO Nc1ncccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095365579 402028400 /nfs/dbraw/zinc/02/84/00/402028400.db2.gz WIFAHCSVEPOZBF-MAUKXSAKSA-N 1 0 323.444 2.155 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1noc(-c2cccs2)n1 ZINC000095385108 402031305 /nfs/dbraw/zinc/03/13/05/402031305.db2.gz MFQICLQKYOQWJP-LLVKDONJSA-N 1 0 320.418 2.289 50 0 DEAARO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000051314935 402033109 /nfs/dbraw/zinc/03/31/09/402033109.db2.gz GDRUNKXNUXVUMC-MRXNPFEDSA-N 1 0 320.339 2.229 50 0 DEAARO CCCc1ccccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000095947739 402035790 /nfs/dbraw/zinc/03/57/90/402035790.db2.gz WNMGOQYJQABAIO-UHFFFAOYSA-N 1 0 313.405 2.407 50 0 DEAARO Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000095971483 402039091 /nfs/dbraw/zinc/03/90/91/402039091.db2.gz OEZSCAUZTVXATG-UHFFFAOYSA-N 1 0 301.365 2.493 50 0 DEAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC000095972394 402039328 /nfs/dbraw/zinc/03/93/28/402039328.db2.gz MNCCKGODWOWECR-OAHLLOKOSA-N 1 0 315.396 2.359 50 0 DEAARO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(F)cc1F ZINC000095983987 402042132 /nfs/dbraw/zinc/04/21/32/402042132.db2.gz QCCCCMDUEHAMKE-UHFFFAOYSA-N 1 0 311.420 2.423 50 0 DEAARO CC1(C)NC(=O)N(CCC[N@H+](Cc2cccs2)C2CC2)C1=O ZINC000052534845 402043596 /nfs/dbraw/zinc/04/35/96/402043596.db2.gz NJVJUHHKYVYFKU-UHFFFAOYSA-N 1 0 321.446 2.433 50 0 DEAARO CCOC(=O)c1cnc(N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)nc1C ZINC000095993852 402044227 /nfs/dbraw/zinc/04/42/27/402044227.db2.gz SWUSPDHTYUCBGW-DOMZBBRYSA-N 1 0 320.437 2.128 50 0 DEAARO O=C(CC1CCCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000096006294 402045980 /nfs/dbraw/zinc/04/59/80/402045980.db2.gz HYMHJAMCIVAMMU-SFHVURJKSA-N 1 0 316.445 2.450 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000053202636 402052696 /nfs/dbraw/zinc/05/26/96/402052696.db2.gz DOGYXNPMAKQCNX-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO Clc1cc(C[NH2+]CCn2cccn2)cc2c1OCCCO2 ZINC000048449452 402000535 /nfs/dbraw/zinc/00/05/35/402000535.db2.gz NOSWPJJWPUWWFU-UHFFFAOYSA-N 1 0 307.781 2.488 50 0 DEAARO CCC(CC)n1ncc(C)c1NC(=O)[C@H]1CC[N@H+](CCOC)C1 ZINC000055153653 402076283 /nfs/dbraw/zinc/07/62/83/402076283.db2.gz JQBWRGFGWIVNKQ-AWEZNQCLSA-N 1 0 322.453 2.459 50 0 DEAARO CC/C=C(/C)C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000096298443 402076830 /nfs/dbraw/zinc/07/68/30/402076830.db2.gz FNGAKXWXQFXLAL-SOFYXZRVSA-N 1 0 307.482 2.361 50 0 DEAARO CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000096413335 402080368 /nfs/dbraw/zinc/08/03/68/402080368.db2.gz NDTKEQOZHKHJTC-CQSZACIVSA-N 1 0 309.454 2.214 50 0 DEAARO CCCC(=O)N1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000055377369 402081324 /nfs/dbraw/zinc/08/13/24/402081324.db2.gz QEIAVYJFKHQLOM-OAHLLOKOSA-N 1 0 323.481 2.016 50 0 DEAARO CCCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000055383210 402081406 /nfs/dbraw/zinc/08/14/06/402081406.db2.gz ONOWSHUTPHVAPJ-AWEZNQCLSA-N 1 0 314.433 2.372 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000096452284 402090457 /nfs/dbraw/zinc/09/04/57/402090457.db2.gz UTJYTASMBOCXEC-LLVKDONJSA-N 1 0 315.368 2.096 50 0 DEAARO CC[C@H]([NH2+]Cc1ncc[nH]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473257 402093075 /nfs/dbraw/zinc/09/30/75/402093075.db2.gz YUQIMVQGAZKWIV-IRXDYDNUSA-N 1 0 314.433 2.179 50 0 DEAARO CC[C@@H](C(=O)NCc1cccc(-c2cnn(C)c2)c1)[NH+](C)C ZINC000096486076 402095192 /nfs/dbraw/zinc/09/51/92/402095192.db2.gz MTDXLKGZENKULI-INIZCTEOSA-N 1 0 300.406 2.044 50 0 DEAARO CCNC(=O)N1CCC([NH2+]Cc2cccc(N(C)C)c2)CC1 ZINC000096492708 402096314 /nfs/dbraw/zinc/09/63/14/402096314.db2.gz QOECDQWLJSFCRS-UHFFFAOYSA-N 1 0 304.438 2.036 50 0 DEAARO CCc1ccc([C@@H]2COCCN2C(=O)[C@H]([NH3+])c2ccccc2)o1 ZINC000096499681 402096981 /nfs/dbraw/zinc/09/69/81/402096981.db2.gz LUPWTHCNJQEOOY-DOTOQJQBSA-N 1 0 314.385 2.442 50 0 DEAARO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000097086565 402105746 /nfs/dbraw/zinc/10/57/46/402105746.db2.gz KIWXDLBZKVCECY-CABCVRRESA-N 1 0 316.449 2.497 50 0 DEAARO COc1ncccc1C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000097159813 402112556 /nfs/dbraw/zinc/11/25/56/402112556.db2.gz FEOHDXGKAOKPQW-UHFFFAOYSA-N 1 0 309.373 2.176 50 0 DEAARO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000097163476 402113327 /nfs/dbraw/zinc/11/33/27/402113327.db2.gz OEOMNSVQKCOALN-UHFFFAOYSA-N 1 0 324.327 2.249 50 0 DEAARO Cc1cccc(-c2ncc(C[N@H+]3CCC(=O)NC[C@@H]3C)cn2)c1 ZINC000063833683 402115507 /nfs/dbraw/zinc/11/55/07/402115507.db2.gz VLFRMIAPNXAAMH-AWEZNQCLSA-N 1 0 310.401 2.162 50 0 DEAARO CC(C)(C)c1n[nH]cc1CNC[C@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000065463016 402125689 /nfs/dbraw/zinc/12/56/89/402125689.db2.gz XCGPKGTUWZPQKT-GOEBONIOSA-N 1 0 320.481 2.298 50 0 DEAARO Cc1ccc(F)cc1CNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000097480148 402125827 /nfs/dbraw/zinc/12/58/27/402125827.db2.gz CXEVCTATLHCLML-INIZCTEOSA-N 1 0 308.397 2.250 50 0 DEAARO C[NH+]1CCN(c2cc(-c3ccc4ncccc4c3)nc(N)n2)CC1 ZINC000097522047 402127077 /nfs/dbraw/zinc/12/70/77/402127077.db2.gz JDMYVWMFILDWQV-UHFFFAOYSA-N 1 0 320.400 2.026 50 0 DEAARO Cc1nc2ccccc2nc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC000097594774 402127549 /nfs/dbraw/zinc/12/75/49/402127549.db2.gz KTVPMSPDTKXMOD-CQSZACIVSA-N 1 0 313.401 2.054 50 0 DEAARO CC(C)Cc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000097636564 402129376 /nfs/dbraw/zinc/12/93/76/402129376.db2.gz ZABLMEAXAZJECS-OAHLLOKOSA-N 1 0 307.507 2.426 50 0 DEAARO Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097829606 402133108 /nfs/dbraw/zinc/13/31/08/402133108.db2.gz CRYJRZOWMHHTGO-UHFFFAOYSA-N 1 0 302.399 2.077 50 0 DEAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)C1CCOCC1 ZINC000097831161 402133161 /nfs/dbraw/zinc/13/31/61/402133161.db2.gz HTBYNJAOIKATOZ-KRWDZBQOSA-N 1 0 302.418 2.019 50 0 DEAARO O=C1COc2ccccc2N1CCC[NH2+][C@H]1CCCSC1 ZINC000097370901 402122708 /nfs/dbraw/zinc/12/27/08/402122708.db2.gz IDOJYPLDRQZNLB-ZDUSSCGKSA-N 1 0 306.431 2.287 50 0 DEAARO O=C(CC[NH2+]Cc1cccc2c1OCCCO2)NC1CCCC1 ZINC000067221457 402154728 /nfs/dbraw/zinc/15/47/28/402154728.db2.gz JSCOVUDGAGAISN-UHFFFAOYSA-N 1 0 318.417 2.386 50 0 DEAARO COC(=O)N1CCC([NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000067254804 402155182 /nfs/dbraw/zinc/15/51/82/402155182.db2.gz FNQRXEQEAHUKDD-UHFFFAOYSA-N 1 0 308.378 2.024 50 0 DEAARO c1cnn(C[C@@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)c1 ZINC000067946539 402179643 /nfs/dbraw/zinc/17/96/43/402179643.db2.gz RXQLXCDDJDXFNE-QGZVFWFLSA-N 1 0 320.400 2.172 50 0 DEAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000068048949 402183452 /nfs/dbraw/zinc/18/34/52/402183452.db2.gz BRTOSZBMUXEDCW-LJQANCHMSA-N 1 0 315.413 2.059 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)CCc2cccc(Cl)c2)C1 ZINC000068493492 402200364 /nfs/dbraw/zinc/20/03/64/402200364.db2.gz PDULNCSHUULKBJ-OAHLLOKOSA-N 1 0 324.852 2.357 50 0 DEAARO Cc1nc(N)sc1CC(=O)NC[C@@H]1CC[N@H+](CC(C)(C)C)C1 ZINC000067603816 402164342 /nfs/dbraw/zinc/16/43/42/402164342.db2.gz XYVDXEHJXWCUFV-LBPRGKRZSA-N 1 0 324.494 2.060 50 0 DEAARO [NH3+]C1(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)CCC1 ZINC000067643418 402166020 /nfs/dbraw/zinc/16/60/20/402166020.db2.gz NOKQACISILZCJH-UHFFFAOYSA-N 1 0 315.348 2.247 50 0 DEAARO Cc1ccc(CN(C)CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067676753 402167206 /nfs/dbraw/zinc/16/72/06/402167206.db2.gz VCQWXTKMTPKNAX-IBGZPJMESA-N 1 0 315.461 2.029 50 0 DEAARO Cc1cc2c(c(-c3nccnc3N3CCCC3)c1)O[C@@H](C[NH3+])C2 ZINC000067675160 402167293 /nfs/dbraw/zinc/16/72/93/402167293.db2.gz LCLDVKPFIKRZLI-CQSZACIVSA-N 1 0 310.401 2.314 50 0 DEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(C3CCCCC3)nn2)C[NH2+]1 ZINC000067727431 402170534 /nfs/dbraw/zinc/17/05/34/402170534.db2.gz GZDJLRDPHOIFSG-CABCVRRESA-N 1 0 319.453 2.097 50 0 DEAARO C[C@@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153783956 402170616 /nfs/dbraw/zinc/17/06/16/402170616.db2.gz YUGCXBRNISRRMN-PHIMTYICSA-N 1 0 314.788 2.457 50 0 DEAARO CCC1=NO[C@H](C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)C1 ZINC000067742024 402171204 /nfs/dbraw/zinc/17/12/04/402171204.db2.gz WGNUJOTUSCADMW-HNNXBMFYSA-N 1 0 303.406 2.228 50 0 DEAARO COCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000067755422 402171786 /nfs/dbraw/zinc/17/17/86/402171786.db2.gz IOYNSIBTLSJSQR-AWEZNQCLSA-N 1 0 316.401 2.407 50 0 DEAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000067834243 402174097 /nfs/dbraw/zinc/17/40/97/402174097.db2.gz KRZXGJHFAYYKHY-HNNXBMFYSA-N 1 0 312.417 2.334 50 0 DEAARO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)cc2c1 ZINC000067881832 402177430 /nfs/dbraw/zinc/17/74/30/402177430.db2.gz XJEFUOMCCSNSKE-ZDUSSCGKSA-N 1 0 315.417 2.053 50 0 DEAARO CC[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H](C)CCO ZINC000067910071 402178091 /nfs/dbraw/zinc/17/80/91/402178091.db2.gz LMZBYNLPKKVFSH-LBPRGKRZSA-N 1 0 304.390 2.130 50 0 DEAARO C[C@H](c1cccc(F)c1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000125161880 402216567 /nfs/dbraw/zinc/21/65/67/402216567.db2.gz DECZEKQKRGDDPP-CQSZACIVSA-N 1 0 308.397 2.267 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000106845443 402217296 /nfs/dbraw/zinc/21/72/96/402217296.db2.gz BJEXIBCHNMWLJF-OFQRWUPVSA-N 1 0 303.406 2.473 50 0 DEAARO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H](C)n1cccn1 ZINC000069372638 402220528 /nfs/dbraw/zinc/22/05/28/402220528.db2.gz GADAYZCJNUFCAM-STQMWFEESA-N 1 0 307.419 2.026 50 0 DEAARO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H](C)n1cccn1 ZINC000069372643 402220593 /nfs/dbraw/zinc/22/05/93/402220593.db2.gz GADAYZCJNUFCAM-OLZOCXBDSA-N 1 0 307.419 2.026 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000069420994 402222718 /nfs/dbraw/zinc/22/27/18/402222718.db2.gz AONSGGKUSKOITH-KRWDZBQOSA-N 1 0 324.428 2.491 50 0 DEAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1nc3ccccc3n1C)CC2 ZINC000069565982 402230892 /nfs/dbraw/zinc/23/08/92/402230892.db2.gz XDHSDSRNBQLRKZ-CYBMUJFWSA-N 1 0 324.432 2.079 50 0 DEAARO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)N1CCCCC1)C2 ZINC000069617202 402234438 /nfs/dbraw/zinc/23/44/38/402234438.db2.gz WUEWMHLWLHPSFU-UHFFFAOYSA-N 1 0 318.465 2.304 50 0 DEAARO COC(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000069696429 402238421 /nfs/dbraw/zinc/23/84/21/402238421.db2.gz YLAWWHHRIPPVBX-MRXNPFEDSA-N 1 0 316.401 2.174 50 0 DEAARO O=C(c1cccc2c1OCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069817417 402246023 /nfs/dbraw/zinc/24/60/23/402246023.db2.gz TWDVGNNNHOICLO-ZDUSSCGKSA-N 1 0 302.374 2.116 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000069897633 402249586 /nfs/dbraw/zinc/24/95/86/402249586.db2.gz KUGUWXPLASSXFF-LSDHHAIUSA-N 1 0 304.438 2.337 50 0 DEAARO Cc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)s1 ZINC000069928535 402251742 /nfs/dbraw/zinc/25/17/42/402251742.db2.gz ZAJDSRKENMDDRZ-OAHLLOKOSA-N 1 0 324.490 2.150 50 0 DEAARO COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000069923752 402251988 /nfs/dbraw/zinc/25/19/88/402251988.db2.gz SZUBPEUBIWNOMV-FSNWXROXSA-N 1 0 316.401 2.085 50 0 DEAARO C([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@@H]1CCCCO1 ZINC000069948607 402252265 /nfs/dbraw/zinc/25/22/65/402252265.db2.gz YSVQPDOYNCVNLN-CABCVRRESA-N 1 0 320.437 2.070 50 0 DEAARO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000069968989 402253046 /nfs/dbraw/zinc/25/30/46/402253046.db2.gz JOKNOAWWVNRVGT-MRXNPFEDSA-N 1 0 324.465 2.348 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000071142786 402270050 /nfs/dbraw/zinc/27/00/50/402270050.db2.gz KMIQRQDPPZSCRZ-VIFPVBQESA-N 1 0 315.186 2.270 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2cncn2C)CCC[N@@H+]1CC1CC1 ZINC000071403960 402273614 /nfs/dbraw/zinc/27/36/14/402273614.db2.gz GQOLUSWDZPHANB-INIZCTEOSA-N 1 0 304.438 2.003 50 0 DEAARO CCC[N@H+](CCO)C[C@H](O)c1cccc(Br)c1 ZINC000071798144 402278863 /nfs/dbraw/zinc/27/88/63/402278863.db2.gz NBIJZPDDXOPEOX-ZDUSSCGKSA-N 1 0 302.212 2.187 50 0 DEAARO Cc1n[nH]cc1CCC[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000071809772 402280031 /nfs/dbraw/zinc/28/00/31/402280031.db2.gz JQTRNINGRDZUSU-UHFFFAOYSA-N 1 0 314.418 2.354 50 0 DEAARO COc1cccc([C@H]2CC[N@H+](Cc3cncn3C)C2)c1OC ZINC000215313860 402282318 /nfs/dbraw/zinc/28/23/18/402282318.db2.gz IDWUUXHVPPZTTR-ZDUSSCGKSA-N 1 0 301.390 2.427 50 0 DEAARO O=C(c1cc(Cl)c[nH]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000215331390 402282449 /nfs/dbraw/zinc/28/24/49/402282449.db2.gz IZCSGGLXZLKSJK-UHFFFAOYSA-N 1 0 313.854 2.322 50 0 DEAARO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(N)=O)CC3)c2c1 ZINC000071824860 402283444 /nfs/dbraw/zinc/28/34/44/402283444.db2.gz XSEVBGSXZKPVBY-NSHDSACASA-N 1 0 301.390 2.230 50 0 DEAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000071825180 402283628 /nfs/dbraw/zinc/28/36/28/402283628.db2.gz DENQYOUTVNVKRN-INIZCTEOSA-N 1 0 301.390 2.106 50 0 DEAARO Cc1ocnc1C(=O)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000216379739 402288504 /nfs/dbraw/zinc/28/85/04/402288504.db2.gz LLLHWFYJFFSUDW-GFCCVEGCSA-N 1 0 305.403 2.439 50 0 DEAARO O=C(NC[C@H]1CCCCO1)C1CC[NH+](Cc2ccco2)CC1 ZINC000216392207 402288723 /nfs/dbraw/zinc/28/87/23/402288723.db2.gz CVPAMTRPGVBZSO-OAHLLOKOSA-N 1 0 306.406 2.177 50 0 DEAARO Cc1ccc(N[C@H]2CCO[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000184656236 402288955 /nfs/dbraw/zinc/28/89/55/402288955.db2.gz ANGPFFGQJVEKAC-ZFWWWQNUSA-N 1 0 305.422 2.475 50 0 DEAARO Cc1ccc(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)s1 ZINC000218978849 402297382 /nfs/dbraw/zinc/29/73/82/402297382.db2.gz MOYMAKDKTVQQDM-UHFFFAOYSA-N 1 0 303.435 2.288 50 0 DEAARO CN(Cc1cnc(NCc2ccccc2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000220387181 402301428 /nfs/dbraw/zinc/30/14/28/402301428.db2.gz FPMAWJLQBWELLI-QGZVFWFLSA-N 1 0 311.433 2.225 50 0 DEAARO Cc1nn(C)c(Cl)c1/C=C\C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000221831885 402304755 /nfs/dbraw/zinc/30/47/55/402304755.db2.gz HMLXXHAAPVWQLL-WACGGTQYSA-N 1 0 324.856 2.384 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2cnc3ccccc3c2)CCOCC1 ZINC000222752135 402308607 /nfs/dbraw/zinc/30/86/07/402308607.db2.gz HAKNEPWPKWFDRM-UHFFFAOYSA-N 1 0 313.401 2.075 50 0 DEAARO O[C@H]1C[C@H]([C@H]([NH2+]C2CSCCSC2)c2ccccn2)C1 ZINC000223607058 402311483 /nfs/dbraw/zinc/31/14/83/402311483.db2.gz KOOTWHCJWSHFQG-LNSITVRQSA-N 1 0 310.488 2.332 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000229650602 402344867 /nfs/dbraw/zinc/34/48/67/402344867.db2.gz MTPKEAIBUIARRM-UKRRQHHQSA-N 1 0 307.390 2.167 50 0 DEAARO O=C(C=C1CCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000185132077 402326734 /nfs/dbraw/zinc/32/67/34/402326734.db2.gz WSLYXUJKDGKAKU-GOSISDBHSA-N 1 0 314.429 2.370 50 0 DEAARO COc1ccccc1OCC[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000244787731 402449496 /nfs/dbraw/zinc/44/94/96/402449496.db2.gz QCPOHOZMFAPKAC-CQSZACIVSA-N 1 0 301.390 2.427 50 0 DEAARO CN(CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000244866718 402450083 /nfs/dbraw/zinc/45/00/83/402450083.db2.gz WBDSCEWIWKBRDX-ZDUSSCGKSA-N 1 0 307.413 2.426 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000237577188 402414063 /nfs/dbraw/zinc/41/40/63/402414063.db2.gz HUKNBFBIFWFDSQ-SWLSCSKDSA-N 1 0 319.430 2.125 50 0 DEAARO Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1C(F)(F)F ZINC000237751425 402420183 /nfs/dbraw/zinc/42/01/83/402420183.db2.gz HKBXGWNGWYXFJF-LBPRGKRZSA-N 1 0 322.352 2.029 50 0 DEAARO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000244899862 402451426 /nfs/dbraw/zinc/45/14/26/402451426.db2.gz ZRRHIZBSCBESJK-CQSZACIVSA-N 1 0 323.824 2.269 50 0 DEAARO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)n1 ZINC000244718819 402448628 /nfs/dbraw/zinc/44/86/28/402448628.db2.gz LRHKQRZQFZIEDM-CYBMUJFWSA-N 1 0 310.361 2.234 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)CCCc2c(C)n[nH]c2C)o1 ZINC000244742195 402448840 /nfs/dbraw/zinc/44/88/40/402448840.db2.gz ODLNZYNKTAHGFW-UHFFFAOYSA-N 1 0 304.394 2.044 50 0 DEAARO O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1C[NH2+]CCO1 ZINC000187193622 402487846 /nfs/dbraw/zinc/48/78/46/402487846.db2.gz WMYTYSQCRWZCHY-MRXNPFEDSA-N 1 0 322.368 2.157 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)CCOc2cc(C)cc(C)c2C)C1 ZINC000178975289 402561273 /nfs/dbraw/zinc/56/12/73/402561273.db2.gz MIVPUHYEGONTAP-MRXNPFEDSA-N 1 0 304.434 2.449 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000178977669 402561305 /nfs/dbraw/zinc/56/13/05/402561305.db2.gz CLKOWELGJOSSPF-LLVKDONJSA-N 1 0 316.323 2.152 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179024465 402565817 /nfs/dbraw/zinc/56/58/17/402565817.db2.gz DOUXPRACDQSXKH-GFCCVEGCSA-N 1 0 316.323 2.196 50 0 DEAARO CN(C(=O)C1(c2ccccc2Cl)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000179095539 402572347 /nfs/dbraw/zinc/57/23/47/402572347.db2.gz VXFUXIKEAJSMNX-CYBMUJFWSA-N 1 0 322.836 2.209 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1csc(C)n1 ZINC000247955835 402578544 /nfs/dbraw/zinc/57/85/44/402578544.db2.gz LYOFLFKQJNEIMD-LSDHHAIUSA-N 1 0 307.463 2.469 50 0 DEAARO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988259 402580201 /nfs/dbraw/zinc/58/02/01/402580201.db2.gz ZSJRLANZGISHGH-UKRRQHHQSA-N 1 0 323.506 2.477 50 0 DEAARO COc1cccc(C[NH2+]CCN2CCc3sccc3C2)n1 ZINC000190850712 402627529 /nfs/dbraw/zinc/62/75/29/402627529.db2.gz 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402667951 /nfs/dbraw/zinc/66/79/51/402667951.db2.gz JTDXFLKBWYVJBL-GFCCVEGCSA-N 1 0 301.390 2.401 50 0 DEAARO COc1cc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000255030986 402675963 /nfs/dbraw/zinc/67/59/63/402675963.db2.gz VLCUJUHWMHWJDH-VSQXVHSFSA-N 1 0 324.808 2.178 50 0 DEAARO COc1cc(/C=C\C(=O)N2CC[NH2+]C[C@H]2C)cc(Cl)c1OC ZINC000255357013 402684779 /nfs/dbraw/zinc/68/47/79/402684779.db2.gz VYNLDGGHHFSUTL-DOGVGXBMSA-N 1 0 324.808 2.191 50 0 DEAARO C[C@H]1C[C@H](NC(=O)NOCc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000183707880 402790406 /nfs/dbraw/zinc/79/04/06/402790406.db2.gz NQDCTUFIEAHUDT-FZMZJTMJSA-N 1 0 307.369 2.182 50 0 DEAARO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)c1cc(C)oc1C ZINC000195536339 402850643 /nfs/dbraw/zinc/85/06/43/402850643.db2.gz CGOFNMXLHUOTKZ-DOTOQJQBSA-N 1 0 308.422 2.095 50 0 DEAARO CCC[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCN1CCOC ZINC000195550378 402850827 /nfs/dbraw/zinc/85/08/27/402850827.db2.gz WXOALGWQKANFHY-QRQLOZEOSA-N 1 0 318.461 2.077 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000195542936 402850865 /nfs/dbraw/zinc/85/08/65/402850865.db2.gz LNJUSYOWPAMVHY-SFYZADRCSA-N 1 0 304.287 2.442 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2nn(CC)c3ccccc23)C1 ZINC000274593935 403070279 /nfs/dbraw/zinc/07/02/79/403070279.db2.gz ODPMTLNJXKLAPK-ZDUSSCGKSA-N 1 0 316.405 2.377 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000269259347 403125380 /nfs/dbraw/zinc/12/53/80/403125380.db2.gz IXACDJSIRKAJPR-AAEUAGOBSA-N 1 0 316.430 2.405 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)c2ccc(C)cc2OCCC[NH3+])n1 ZINC000299765855 403569198 /nfs/dbraw/zinc/56/91/98/403569198.db2.gz CHBHTJDXMOTIMD-UHFFFAOYSA-N 1 0 316.405 2.026 50 0 DEAARO CNC(=O)[C@H]1CC[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1 ZINC000299770811 403570232 /nfs/dbraw/zinc/57/02/32/403570232.db2.gz MUQFKJROBYZEQC-JTQLQIEISA-N 1 0 319.792 2.162 50 0 DEAARO Cc1n[nH]c(C)c1CC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000299770320 403570753 /nfs/dbraw/zinc/57/07/53/403570753.db2.gz PTYBZBSHZAITRC-OAHLLOKOSA-N 1 0 306.454 2.292 50 0 DEAARO Cc1nccn1[C@H](C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000299770168 403571085 /nfs/dbraw/zinc/57/10/85/403571085.db2.gz PRWJFPFXKOMEBC-CYBMUJFWSA-N 1 0 300.406 2.131 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(SC)cc1 ZINC000299782496 403573538 /nfs/dbraw/zinc/57/35/38/403573538.db2.gz XTTPEORTXJTYRB-GJZGRUSLSA-N 1 0 308.447 2.246 50 0 DEAARO CCOCCOc1ccccc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000299802678 403579275 /nfs/dbraw/zinc/57/92/75/403579275.db2.gz NHJNPTHOHZRAKI-ZDUSSCGKSA-N 1 0 307.394 2.057 50 0 DEAARO CC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@]2(CCOC2)O1 ZINC000376022415 404789638 /nfs/dbraw/zinc/78/96/38/404789638.db2.gz SIPSGWZSRCLZNY-NVXWUHKLSA-N 1 0 301.390 2.333 50 0 DEAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000367377539 405030247 /nfs/dbraw/zinc/03/02/47/405030247.db2.gz KIBJDNXYKXYSJX-CXAGYDPISA-N 1 0 312.417 2.091 50 0 DEAARO C[NH+]1CCC(C)(C(=O)NCCc2nc3ccccc3o2)CC1 ZINC000426552042 405368374 /nfs/dbraw/zinc/36/83/74/405368374.db2.gz QQSXFKFHYIBRKE-UHFFFAOYSA-N 1 0 301.390 2.218 50 0 DEAARO C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000583651419 405779626 /nfs/dbraw/zinc/77/96/26/405779626.db2.gz LEHJQUDAOVQZLV-LBPRGKRZSA-N 1 0 302.415 2.100 50 0 DEAARO COc1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1F ZINC000527770440 406743807 /nfs/dbraw/zinc/74/38/07/406743807.db2.gz WKCZKQRQLRBXEB-SFHVURJKSA-N 1 0 317.360 2.290 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)C(=O)NC1CCC(C)CC1 ZINC000089922637 287038273 /nfs/dbraw/zinc/03/82/73/287038273.db2.gz SGOLMYORLCTRJY-LVDPKSTMSA-N 1 0 318.465 2.434 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000047339616 424825452 /nfs/dbraw/zinc/82/54/52/424825452.db2.gz ILZZDFZGEPHORH-UHFFFAOYSA-N 1 0 312.797 2.183 50 0 DEAARO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000048039207 424829487 /nfs/dbraw/zinc/82/94/87/424829487.db2.gz LLTZXFWJTVARTN-ONGXEEELSA-N 1 0 320.780 2.258 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000049075828 424836035 /nfs/dbraw/zinc/83/60/35/424836035.db2.gz UBTGEFJQULOZIJ-SMDDNHRTSA-N 1 0 324.222 2.357 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000106909344 424850326 /nfs/dbraw/zinc/85/03/26/424850326.db2.gz VEJAKVSKFSXGRP-HUUCEWRRSA-N 1 0 324.856 2.357 50 0 DEAARO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000108141133 424851121 /nfs/dbraw/zinc/85/11/21/424851121.db2.gz RPRPBFOMTATLBP-HOTGVXAUSA-N 1 0 316.426 2.113 50 0 DEAARO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)n1 ZINC000108183620 424851164 /nfs/dbraw/zinc/85/11/64/424851164.db2.gz NEFITRBOSXECHC-DZGCQCFKSA-N 1 0 305.353 2.430 50 0 DEAARO Cc1cc(C)nc(CCNC(=O)C[NH+]2CCCCCCC2)n1 ZINC000244605565 424885997 /nfs/dbraw/zinc/88/59/97/424885997.db2.gz FAXQQMKGIJDJFV-UHFFFAOYSA-N 1 0 304.438 2.018 50 0 DEAARO CC(C)CNC(=O)[C@@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257193518 424889030 /nfs/dbraw/zinc/88/90/30/424889030.db2.gz YPDFPPKOOWRPJO-GOSISDBHSA-N 1 0 304.434 2.033 50 0 DEAARO COc1ccc([C@@H](CO)C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655776000 425651822 /nfs/dbraw/zinc/65/18/22/425651822.db2.gz GGSMMTFTYLSZBG-GDBMZVCRSA-N 1 0 301.390 2.092 50 0 DEAARO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000252489090 274380409 /nfs/dbraw/zinc/38/04/09/274380409.db2.gz JFCOJCSXSHGLLZ-VNQPRFMTSA-N 1 0 320.458 2.070 50 0 DEAARO O=C1Nc2ccccc2NC12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000082099871 275026154 /nfs/dbraw/zinc/02/61/54/275026154.db2.gz VTUIIKAEMPKTDC-GFCCVEGCSA-N 1 0 303.431 2.391 50 0 DEAARO c1ccc(N2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)nc1 ZINC000072145380 275067743 /nfs/dbraw/zinc/06/77/43/275067743.db2.gz MYWDLSFGZGRMFY-ZWKOTPCHSA-N 1 0 314.477 2.468 50 0 DEAARO CCC[NH+]1CCC(N[C@H]2CCCc3nc(N(C)C)ncc32)CC1 ZINC000011772017 276004921 /nfs/dbraw/zinc/00/49/21/276004921.db2.gz PODQPAYTVORRNA-INIZCTEOSA-N 1 0 317.481 2.384 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229306804 276071867 /nfs/dbraw/zinc/07/18/67/276071867.db2.gz YKEAEIRXDQAFSU-CVEARBPZSA-N 1 0 319.497 2.326 50 0 DEAARO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000183832346 277222082 /nfs/dbraw/zinc/22/20/82/277222082.db2.gz IVGJIFHWPSDSIW-ZDUSSCGKSA-N 1 0 317.433 2.236 50 0 DEAARO CC(C)(C)n1ncnc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000253392334 277292091 /nfs/dbraw/zinc/29/20/91/277292091.db2.gz DIOVPRJJKWHJOI-HOCLYGCPSA-N 1 0 317.481 2.482 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236834690 278090098 /nfs/dbraw/zinc/09/00/98/278090098.db2.gz YLOMIBHDLOMCMJ-QWRGUYRKSA-N 1 0 312.845 2.396 50 0 DEAARO C[C@H]1CN([C@H](C[NH2+]C2CCOCC2)c2cccs2)CCO1 ZINC000106917504 278440022 /nfs/dbraw/zinc/44/00/22/278440022.db2.gz JOFKNPRKXRAYTQ-DZGCQCFKSA-N 1 0 310.463 2.279 50 0 DEAARO CC(C)[N@H+](C)C1CCN(CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000095973420 279349758 /nfs/dbraw/zinc/34/97/58/279349758.db2.gz MSULUWZDWBVPFJ-UHFFFAOYSA-N 1 0 316.511 2.006 50 0 DEAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000096476478 280274259 /nfs/dbraw/zinc/27/42/59/280274259.db2.gz HLTCHZDVCGQNFL-LBPRGKRZSA-N 1 0 310.419 2.331 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1occc1Br ZINC000237441581 289777426 /nfs/dbraw/zinc/77/74/26/289777426.db2.gz RVGCGYNQUKFLJX-WPRPVWTQSA-N 1 0 301.184 2.384 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000157998008 295334859 /nfs/dbraw/zinc/33/48/59/295334859.db2.gz YQHHRNBBGYJCTB-DLBZAZTESA-N 1 0 319.424 2.130 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1F ZINC000063194061 301666058 /nfs/dbraw/zinc/66/60/58/301666058.db2.gz GLRPRRNCOSNCKW-RISCZKNCSA-N 1 0 300.399 2.025 50 0 DEAARO COc1ccc(C2(CNC(=O)[C@H]3C=CC[NH2+]3)CCCC2)cc1 ZINC000534666224 334318844 /nfs/dbraw/zinc/31/88/44/334318844.db2.gz JDBBWVOSJRHWFZ-MRXNPFEDSA-N 1 0 300.402 2.151 50 0 DEAARO C[C@@H]1CCC[N@H+](CCNC(=O)N2CC(Oc3ccccc3)C2)C1 ZINC000534661991 334322211 /nfs/dbraw/zinc/32/22/11/334322211.db2.gz OXTHHIZQYQFUHC-OAHLLOKOSA-N 1 0 317.433 2.191 50 0 DEAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(=O)[nH]c1 ZINC000177229042 341917805 /nfs/dbraw/zinc/91/78/05/341917805.db2.gz BAOBMSUZQVNSPM-UHFFFAOYSA-N 1 0 303.406 2.314 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000089922696 500809461 /nfs/dbraw/zinc/80/94/61/500809461.db2.gz GJORGTWRGADFIB-GJZGRUSLSA-N 1 0 311.470 2.317 50 0 DEAARO CCc1nc(N2CCCO[C@@H](C[NH+]3CCCC3)C2)ncc1C ZINC000426662100 517863359 /nfs/dbraw/zinc/86/33/59/517863359.db2.gz LGDYMNQTVQGUQQ-HNNXBMFYSA-N 1 0 304.438 2.039 50 0 DEAARO COc1ccc(F)c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000339266124 524272098 /nfs/dbraw/zinc/27/20/98/524272098.db2.gz VATZMURDXVMJIG-UHFFFAOYSA-N 1 0 301.361 2.454 50 0 DEAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)C2CCCC2)[nH+]1 ZINC000065364794 526997416 /nfs/dbraw/zinc/99/74/16/526997416.db2.gz ZZPRZJWPGZFJSB-UHFFFAOYSA-N 1 0 317.437 2.104 50 0 DEAARO CO[C@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000020220992 625038454 /nfs/dbraw/zinc/03/84/54/625038454.db2.gz PTNOEPAORYAKFI-SJORKVTESA-N 1 0 302.418 2.402 50 0 DEAARO COC[C@@H](C)N1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(OC)c1 ZINC000011787251 635772517 /nfs/dbraw/zinc/77/25/17/635772517.db2.gz XETHVPWFFYYXIG-ZBFHGGJFSA-N 1 0 320.433 2.201 50 0 DEAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000012301946 636134107 /nfs/dbraw/zinc/13/41/07/636134107.db2.gz XSKJGQWSGOXTQW-INIZCTEOSA-N 1 0 312.417 2.155 50 0 DEAARO CCOc1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000054985529 646407337 /nfs/dbraw/zinc/40/73/37/646407337.db2.gz KOTUSXLXQFGWCM-QGZVFWFLSA-N 1 0 318.417 2.207 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2nc[nH]n2)cc1)C(C)C ZINC000172615746 646744930 /nfs/dbraw/zinc/74/49/30/646744930.db2.gz UTUKSISMRLPAQR-UHFFFAOYSA-N 1 0 315.421 2.307 50 0 DEAARO c1n[nH]cc1-c1cccc(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000019224513 683858178 /nfs/dbraw/zinc/85/81/78/683858178.db2.gz PCHCTPKIMWAPKV-UHFFFAOYSA-N 1 0 320.400 2.189 50 0 DEAARO Cc1ncc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1C ZINC000020908518 683859990 /nfs/dbraw/zinc/85/99/90/683859990.db2.gz QZULRIFTGIJBNC-GOSISDBHSA-N 1 0 324.472 2.450 50 0 DEAARO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000032580939 683878632 /nfs/dbraw/zinc/87/86/32/683878632.db2.gz HZHPDUBAIPIHKO-SFHVURJKSA-N 1 0 320.396 2.059 50 0 DEAARO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@@H](CO)CC2)[C@@H]1c1ccccc1 ZINC000585132486 790328649 /nfs/dbraw/zinc/32/86/49/790328649.db2.gz XYYDINHEWKABMI-RANZSIQMSA-N 1 0 316.445 2.347 50 0 DEAARO O=C(Cc1cccnc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788295 784776295 /nfs/dbraw/zinc/77/62/95/784776295.db2.gz ZRJVWWRPYVCPNP-INIZCTEOSA-N 1 0 301.434 2.349 50 0 DEAARO O=C(c1ccsc1)N1CC([N@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794941 784783369 /nfs/dbraw/zinc/78/33/69/784783369.db2.gz ZARLJZLOMMQOJG-UHFFFAOYSA-N 1 0 320.458 2.464 50 0 DEAARO CCn1nccc1C(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2C)C1 ZINC000581808439 784785959 /nfs/dbraw/zinc/78/59/59/784785959.db2.gz VEIKXAMXYATBNA-OAHLLOKOSA-N 1 0 315.421 2.269 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000581808502 784786055 /nfs/dbraw/zinc/78/60/55/784786055.db2.gz SXCIPZYUIPBFJL-INIZCTEOSA-N 1 0 317.433 2.344 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000581808802 784786309 /nfs/dbraw/zinc/78/63/09/784786309.db2.gz NWVDIZKZLFRMGI-UHFFFAOYSA-N 1 0 313.405 2.280 50 0 DEAARO COCCn1c(C)c[nH+]c1CC1CCN(C(=O)C(C)C)CC1 ZINC000581816970 784789361 /nfs/dbraw/zinc/78/93/61/784789361.db2.gz UPKBEFIEGXEWOR-UHFFFAOYSA-N 1 0 307.438 2.275 50 0 DEAARO O=C(CC[N@@H+]1CC[C@@H](c2ncc[nH]2)C1)Nc1cccc(F)c1 ZINC000585116372 789703453 /nfs/dbraw/zinc/70/34/53/789703453.db2.gz SDPDVKITBMZSKG-GFCCVEGCSA-N 1 0 302.353 2.367 50 0 DEAARO CC1(C)C[NH2+][C@@H]1C1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000952877353 792793518 /nfs/dbraw/zinc/79/35/18/792793518.db2.gz OMINBPJPCQPPCP-QGZVFWFLSA-N 1 0 317.481 2.215 50 0 DEAARO Cc1ccc2cc(C[NH2+][C@H](C)[C@H]3CN(C)CCN3C)ccc2n1 ZINC000952882960 792797369 /nfs/dbraw/zinc/79/73/69/792797369.db2.gz LRISPSWSUZYSDG-DNVCBOLYSA-N 1 0 312.461 2.267 50 0 DEAARO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCN1C)[C@@H]1C[C@H]1c1cccs1 ZINC000952963223 792809304 /nfs/dbraw/zinc/80/93/04/792809304.db2.gz DVWHMOUZHWLUOE-GVRJEKJASA-N 1 0 307.507 2.464 50 0 DEAARO CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000952964774 792812930 /nfs/dbraw/zinc/81/29/30/792812930.db2.gz BRJCLSIAFNLBLK-DOTOQJQBSA-N 1 0 314.385 2.362 50 0 DEAARO OCc1cccc(C[NH2+]Cc2cnc(N3CCCCC3)nc2)c1 ZINC000952972558 792831108 /nfs/dbraw/zinc/83/11/08/792831108.db2.gz VYGMUAVPZHKLOD-UHFFFAOYSA-N 1 0 312.417 2.249 50 0 DEAARO Cn1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)ccc1=O ZINC000952978609 792843862 /nfs/dbraw/zinc/84/38/62/792843862.db2.gz RUGHEFRERNTANZ-UHFFFAOYSA-N 1 0 311.385 2.233 50 0 DEAARO CCCN1C[C@@H]([NH2+]Cc2cc3cccc(C)c3[nH]c2=O)CC1=O ZINC000952968784 792850576 /nfs/dbraw/zinc/85/05/76/792850576.db2.gz PNLVPLWFBNAJQM-HNNXBMFYSA-N 1 0 313.401 2.349 50 0 DEAARO Cc1ccccc1-c1nnc(NC(=O)NC2CC[NH2+]CC2)s1 ZINC000048071955 797086263 /nfs/dbraw/zinc/08/62/63/797086263.db2.gz CBXMWUFQEIBHFY-UHFFFAOYSA-N 1 0 317.418 2.387 50 0 DEAARO CC(=O)c1ccc(C(=O)Nc2nnc(CC[NH+](C)C)s2)s1 ZINC001529103865 1070857207 /nfs/dbraw/zinc/85/72/07/1070857207.db2.gz GQLQHKHEMJLDRL-UHFFFAOYSA-N 1 0 324.431 2.159 50 0 DEAARO CN(C)C(=O)c1ccc(NCCC[N@H+](C)C2CCCC2)nc1 ZINC001529119453 1070868012 /nfs/dbraw/zinc/86/80/12/1070868012.db2.gz HQYARZMCTFBUDR-UHFFFAOYSA-N 1 0 304.438 2.460 50 0 DEAARO CNc1ncccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529191153 1070911381 /nfs/dbraw/zinc/91/13/81/1070911381.db2.gz SZPSNCIJWQNYDQ-NMWPEEMBSA-N 1 0 316.449 2.314 50 0 DEAARO Cc1c[nH+]ccc1NCCNc1cc(N2CCCCC2)ncn1 ZINC001529198869 1070912118 /nfs/dbraw/zinc/91/21/18/1070912118.db2.gz MTCAVROLPMIJTQ-UHFFFAOYSA-N 1 0 312.421 2.116 50 0 DEAARO C[C@@H](CN(C)CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001506415027 1061957142 /nfs/dbraw/zinc/95/71/42/1061957142.db2.gz UBSXGQXLAPTTGR-JTQLQIEISA-N 1 0 308.319 2.247 50 0 DEAARO COCC[N@@H+]1CC[C@H](CN(C)c2nnc(C)c3ccccc32)C1 ZINC001506417316 1061959322 /nfs/dbraw/zinc/95/93/22/1061959322.db2.gz PLNUQPXOQHZRBO-OAHLLOKOSA-N 1 0 314.433 2.343 50 0 DEAARO CCN(C)C[C@H](C)[NH2+]CCc1nc(C)cc(C(F)(F)F)n1 ZINC001506420695 1061963845 /nfs/dbraw/zinc/96/38/45/1061963845.db2.gz AKTFZLQSLWONPC-NSHDSACASA-N 1 0 304.360 2.276 50 0 DEAARO Cc1ncc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)n1C ZINC000823683747 1090695226 /nfs/dbraw/zinc/69/52/26/1090695226.db2.gz JIYREHIYFCJCOC-UHFFFAOYSA-N 1 0 320.481 2.195 50 0 DEAARO CC(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1c1ccc(C)o1 ZINC000095529570 185378888 /nfs/dbraw/zinc/37/88/88/185378888.db2.gz KVRNGEIFADZCBM-HZPDHXFCSA-N 1 0 317.389 2.297 50 0 DEAARO Cc1cc(=O)cc(C(=O)N2CCC([NH+]3CCCCCC3)CC2)[nH]1 ZINC000426471082 230799176 /nfs/dbraw/zinc/79/91/76/230799176.db2.gz YTWZBROOYNHOCF-UHFFFAOYSA-N 1 0 317.433 2.164 50 0 DEAARO O=C1OCCN1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078922791 185129367 /nfs/dbraw/zinc/12/93/67/185129367.db2.gz YTIIEOUWRMOEIE-CYBMUJFWSA-N 1 0 314.389 2.195 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)Cn1nc(C)cc1C ZINC000078925088 185129952 /nfs/dbraw/zinc/12/99/52/185129952.db2.gz JZIBAORNXFOYJW-GOEBONIOSA-N 1 0 321.469 2.062 50 0 DEAARO Cc1n[nH]cc1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000078966984 185136423 /nfs/dbraw/zinc/13/64/23/185136423.db2.gz BQMPDSUYDVTOIE-MRXNPFEDSA-N 1 0 312.417 2.455 50 0 DEAARO C[C@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)O1 ZINC000079030215 185147593 /nfs/dbraw/zinc/14/75/93/185147593.db2.gz WQIAJSZZQNOLAM-BBRMVZONSA-N 1 0 320.458 2.394 50 0 DEAARO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1C ZINC000079354156 185166319 /nfs/dbraw/zinc/16/63/19/185166319.db2.gz SDYKQWRVNVNWMH-HOCLYGCPSA-N 1 0 320.433 2.119 50 0 DEAARO CCc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1C(C)(C)C ZINC000299738692 529475191 /nfs/dbraw/zinc/47/51/91/529475191.db2.gz FHTLDAYPUHKIGZ-QWHCGFSZSA-N 1 0 306.454 2.400 50 0 DEAARO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C\c2ccco2)C[C@H](C)O1 ZINC000096947505 185393554 /nfs/dbraw/zinc/39/35/54/185393554.db2.gz JGKQAZINPBVCJP-MYNJGTHASA-N 1 0 306.406 2.297 50 0 DEAARO CCOc1ncc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1Cl ZINC000089988753 185275072 /nfs/dbraw/zinc/27/50/72/185275072.db2.gz ARQYRNJENLBSJK-GWCFXTLKSA-N 1 0 311.813 2.156 50 0 DEAARO Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]([NH+](C)C)C2)n1 ZINC000082086903 192354389 /nfs/dbraw/zinc/35/43/89/192354389.db2.gz NNNNKMLPXNLRHV-INIZCTEOSA-N 1 0 306.454 2.223 50 0 DEAARO [NH3+][C@@H]1CCCCN(CCC(=O)N2CCCc3ccccc32)C1 ZINC000082100675 192356075 /nfs/dbraw/zinc/35/60/75/192356075.db2.gz UMRFFOLGPYYKOQ-MRXNPFEDSA-N 1 0 301.434 2.169 50 0 DEAARO CSc1ccccc1NC(=O)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082108355 192357224 /nfs/dbraw/zinc/35/72/24/192357224.db2.gz NZZUFYBCVOGSRG-UHFFFAOYSA-N 1 0 317.418 2.030 50 0 DEAARO CCC[C@@H](C)C[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082116062 192358236 /nfs/dbraw/zinc/35/82/36/192358236.db2.gz IGLAFTVGLXDLQB-CQSZACIVSA-N 1 0 321.469 2.296 50 0 DEAARO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)c2ccc(F)cc2n1 ZINC000082121364 192358750 /nfs/dbraw/zinc/35/87/50/192358750.db2.gz UXTSDSULIFVWBD-ZDUSSCGKSA-N 1 0 301.365 2.458 50 0 DEAARO Cc1ccc(CNC(=O)C[N@H+](CCO)C2CCCCC2)s1 ZINC000095395102 185352558 /nfs/dbraw/zinc/35/25/58/185352558.db2.gz HWHTYLZALMAKBZ-UHFFFAOYSA-N 1 0 310.463 2.300 50 0 DEAARO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)CO2 ZINC000095418952 185359859 /nfs/dbraw/zinc/35/98/59/185359859.db2.gz SLLGIBHWXWISQV-UKRRQHHQSA-N 1 0 303.406 2.164 50 0 DEAARO Cn1nccc1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000095420175 185360065 /nfs/dbraw/zinc/36/00/65/185360065.db2.gz YNRIVTRGERQVIW-UHFFFAOYSA-N 1 0 316.424 2.356 50 0 DEAARO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NCc1cccnc1 ZINC000095428968 185362327 /nfs/dbraw/zinc/36/23/27/185362327.db2.gz FSRLTFKNZDZKBD-KRWDZBQOSA-N 1 0 310.401 2.143 50 0 DEAARO CC(C)([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000095431850 185363631 /nfs/dbraw/zinc/36/36/31/185363631.db2.gz BCPYXXWOJXIQNY-AWEZNQCLSA-N 1 0 310.825 2.148 50 0 DEAARO CC(C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)c2cnn(C(C)C)c2n1 ZINC000097019564 185397989 /nfs/dbraw/zinc/39/79/89/185397989.db2.gz ZXYMCGXDUBVWTN-GFCCVEGCSA-N 1 0 315.421 2.309 50 0 DEAARO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000097019938 185398298 /nfs/dbraw/zinc/39/82/98/185398298.db2.gz LSCDMPGQGDDUGD-WCBMZHEXSA-N 1 0 305.241 2.059 50 0 DEAARO CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000083721638 539390937 /nfs/dbraw/zinc/39/09/37/539390937.db2.gz VIZKXQUTBQXRLX-CVEARBPZSA-N 1 0 311.470 2.175 50 0 DEAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000084317545 539394500 /nfs/dbraw/zinc/39/45/00/539394500.db2.gz CSRLJXNMDCXPKB-BBRMVZONSA-N 1 0 315.373 2.016 50 0 DEAARO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000170593050 197781377 /nfs/dbraw/zinc/78/13/77/197781377.db2.gz IZYRHNRDVHITMB-WFASDCNBSA-N 1 0 314.426 2.148 50 0 DEAARO COc1ccccc1NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000084597480 539396667 /nfs/dbraw/zinc/39/66/67/539396667.db2.gz OSAQHYXQAIYVJJ-UHFFFAOYSA-N 1 0 321.421 2.052 50 0 DEAARO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000084490441 539395670 /nfs/dbraw/zinc/39/56/70/539395670.db2.gz CTINUQDOEPQRCV-KDOFPFPSSA-N 1 0 316.401 2.020 50 0 DEAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000084714418 539398112 /nfs/dbraw/zinc/39/81/12/539398112.db2.gz AYSRTERLRJGALE-QAPCUYQASA-N 1 0 307.482 2.051 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)c2ccc3c(c2)OCO3)c1 ZINC000229569290 201839239 /nfs/dbraw/zinc/83/92/39/201839239.db2.gz UGYONDWQNZLQJA-GZBFAFLISA-N 1 0 317.389 2.193 50 0 DEAARO CCC[C@@H]([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000170673710 197805067 /nfs/dbraw/zinc/80/50/67/197805067.db2.gz KYXHLAPAAIEMJC-GFCCVEGCSA-N 1 0 317.202 2.374 50 0 DEAARO c1nc2n(n1)C[C@H]([NH2+]CCOc1cccc3ccccc31)CC2 ZINC000069709245 190806917 /nfs/dbraw/zinc/80/69/17/190806917.db2.gz IICURGIWJJDPJD-OAHLLOKOSA-N 1 0 308.385 2.415 50 0 DEAARO C[N@H+](CCCS(C)(=O)=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000083860847 192387783 /nfs/dbraw/zinc/38/77/83/192387783.db2.gz URZZDIRRGKXZHJ-MRXNPFEDSA-N 1 0 310.463 2.022 50 0 DEAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(OC(F)F)c1)C2 ZINC000219378069 539726656 /nfs/dbraw/zinc/72/66/56/539726656.db2.gz XJSZPHJECLSLHH-AAEUAGOBSA-N 1 0 310.344 2.454 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2cccnn2)CCC[N@@H+]1CC1CC1 ZINC000071711912 191010832 /nfs/dbraw/zinc/01/08/32/191010832.db2.gz YLSYABADCDYXGJ-INIZCTEOSA-N 1 0 302.422 2.059 50 0 DEAARO CC(C)[C@@H]1C[N@H+](CCCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071755033 191024941 /nfs/dbraw/zinc/02/49/41/191024941.db2.gz MIRNMFYDNNVRDY-KRWDZBQOSA-N 1 0 322.424 2.267 50 0 DEAARO [NH3+]CCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071770809 191030436 /nfs/dbraw/zinc/03/04/36/191030436.db2.gz SWNZPFYWHOKZBC-GFCCVEGCSA-N 1 0 303.189 2.242 50 0 DEAARO CCCc1nnc(C(=O)N2CCC([C@H](C)[NH+]3CCCC3)CC2)o1 ZINC000071771259 191030497 /nfs/dbraw/zinc/03/04/97/191030497.db2.gz ZNZMIEQGKISAKQ-ZDUSSCGKSA-N 1 0 320.437 2.359 50 0 DEAARO C[NH+](C)CCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072115647 191038251 /nfs/dbraw/zinc/03/82/51/191038251.db2.gz YYALJAHZEHVTKL-UHFFFAOYSA-N 1 0 317.364 2.275 50 0 DEAARO CC1=C(CC[N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)C(C)(C)CCC1 ZINC000072127351 191042648 /nfs/dbraw/zinc/04/26/48/191042648.db2.gz PFBOQSBGNNBCPA-KRWDZBQOSA-N 1 0 319.493 2.456 50 0 DEAARO O=C(NCc1cnn2ccccc12)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072129422 191043491 /nfs/dbraw/zinc/04/34/91/191043491.db2.gz LNDAKXDEALMFNQ-AWEZNQCLSA-N 1 0 320.396 2.341 50 0 DEAARO CSc1ncc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)cn1 ZINC000072151974 191056947 /nfs/dbraw/zinc/05/69/47/191056947.db2.gz VVIJDIBVUZTOAP-ZDUSSCGKSA-N 1 0 303.435 2.307 50 0 DEAARO Fc1ccccc1[C@H]1CCN(Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072153715 191057418 /nfs/dbraw/zinc/05/74/18/191057418.db2.gz UHQKXARESNOKOY-ZDUSSCGKSA-N 1 0 300.381 2.115 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000072171341 191069649 /nfs/dbraw/zinc/06/96/49/191069649.db2.gz GLRYFGFDAQPRAF-CYBMUJFWSA-N 1 0 312.360 2.286 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](CO)C2)cc1)C(C)C ZINC000179672333 186203201 /nfs/dbraw/zinc/20/32/01/186203201.db2.gz GYTYUJHNXXGWDU-INIZCTEOSA-N 1 0 304.434 2.371 50 0 DEAARO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccnc(N)c2)C1 ZINC000225616911 186284042 /nfs/dbraw/zinc/28/40/42/186284042.db2.gz NVBRTUQKXKUMJJ-OCCSQVGLSA-N 1 0 306.410 2.010 50 0 DEAARO C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000072304011 191116649 /nfs/dbraw/zinc/11/66/49/191116649.db2.gz KNESUNAQRKVRGR-HNNXBMFYSA-N 1 0 319.424 2.349 50 0 DEAARO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000000057320 180680040 /nfs/dbraw/zinc/68/00/40/180680040.db2.gz LSLYOANBFKQKPT-DIFFPNOSSA-N 1 0 303.358 2.058 50 0 world DEAARO Cc1ncc2c(c1CNC(=O)Cc1ccc(F)cc1)CC[NH2+]C2 ZINC000072409947 191154798 /nfs/dbraw/zinc/15/47/98/191154798.db2.gz AWSGUTQWFOPCMB-UHFFFAOYSA-N 1 0 313.376 2.034 50 0 DEAARO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072457945 191172722 /nfs/dbraw/zinc/17/27/22/191172722.db2.gz NXVPFZDPDHAJDT-GJZGRUSLSA-N 1 0 323.375 2.428 50 0 DEAARO C(Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2)[C@@H]1CCOC1 ZINC000072463169 191174650 /nfs/dbraw/zinc/17/46/50/191174650.db2.gz OLRGNGRDMQPYKC-ZDUSSCGKSA-N 1 0 316.449 2.271 50 0 DEAARO CCc1cccc(NC(=O)CN2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000072858585 191240131 /nfs/dbraw/zinc/24/01/31/191240131.db2.gz VIHKORJZMWBMFX-MRXNPFEDSA-N 1 0 303.450 2.461 50 0 DEAARO C[C@H](O)C[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003338914 181008386 /nfs/dbraw/zinc/00/83/86/181008386.db2.gz YFKIARHCYKNUKV-ZETCQYMHSA-N 1 0 310.703 2.268 50 0 DEAARO Fc1cccc(-c2nc3c([nH]2)CN([C@H]2CCC[NH2+]C2)CC3)c1 ZINC000097413250 283012873 /nfs/dbraw/zinc/01/28/73/283012873.db2.gz ILNIZOBLYUCIHV-AWEZNQCLSA-N 1 0 300.381 2.326 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000061650278 354630736 /nfs/dbraw/zinc/63/07/36/354630736.db2.gz SMTVLYDKWJXNJW-ROUUACIJSA-N 1 0 310.397 2.433 50 0 DEAARO CC(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066497237 354719828 /nfs/dbraw/zinc/71/98/28/354719828.db2.gz VREGBTOHCPMNFJ-CABCVRRESA-N 1 0 300.468 2.135 50 0 DEAARO CCCC(=O)N1CCC[C@H](C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000072288381 354899687 /nfs/dbraw/zinc/89/96/87/354899687.db2.gz QRIZQCGLZCFIMY-JKSUJKDBSA-N 1 0 323.481 2.016 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000075606208 355096151 /nfs/dbraw/zinc/09/61/51/355096151.db2.gz VWIBHNDSNJNHNS-JKSUJKDBSA-N 1 0 322.836 2.320 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC000078880332 355283051 /nfs/dbraw/zinc/28/30/51/355283051.db2.gz RELZFDZXODTRLG-RHSMWYFYSA-N 1 0 300.406 2.299 50 0 DEAARO COCCC[NH2+]CCOCCOc1ccccc1OC(C)C ZINC000005042832 181195824 /nfs/dbraw/zinc/19/58/24/181195824.db2.gz HDMXJVHKDPASIH-UHFFFAOYSA-N 1 0 311.422 2.495 50 0 DEAARO CCCN1CCN(C(=[NH2+])C[C@@H]2COc3ccccc3O2)CC1 ZINC000096027856 355698161 /nfs/dbraw/zinc/69/81/61/355698161.db2.gz QNBDFKBGKGMAOP-CQSZACIVSA-N 1 0 303.406 2.221 50 0 DEAARO CC(C)c1nn(C)cc1CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000097234201 355703273 /nfs/dbraw/zinc/70/32/73/355703273.db2.gz FBNIOXUOMICGML-OAHLLOKOSA-N 1 0 300.406 2.202 50 0 DEAARO CCCC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942740 355706898 /nfs/dbraw/zinc/70/68/98/355706898.db2.gz ROQIZULXIWGUBY-IEBWSBKVSA-N 1 0 316.445 2.371 50 0 DEAARO CCC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000195555018 356256945 /nfs/dbraw/zinc/25/69/45/356256945.db2.gz OBGVVRALGFDCDJ-INIZCTEOSA-N 1 0 308.397 2.461 50 0 DEAARO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC000195570308 356258304 /nfs/dbraw/zinc/25/83/04/356258304.db2.gz QCKFDPOZDSNOCH-HZPDHXFCSA-N 1 0 300.406 2.433 50 0 DEAARO C[C@@H]1C[C@H](N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C(=O)O1 ZINC000229830690 356282113 /nfs/dbraw/zinc/28/21/13/356282113.db2.gz AJQWXIXZQVEIPX-KKZNHRDASA-N 1 0 317.311 2.312 50 0 DEAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000221344079 356274549 /nfs/dbraw/zinc/27/45/49/356274549.db2.gz IYMJHEFEYZGKDW-JKIFEVAISA-N 1 0 318.465 2.327 50 0 DEAARO CC[NH+]1CCN([C@H](C)CNc2c(F)c(F)nc(F)c2F)CC1 ZINC000080931704 192203774 /nfs/dbraw/zinc/20/37/74/192203774.db2.gz BTKOSPRINMWIQO-SECBINFHSA-N 1 0 320.334 2.076 50 0 DEAARO Nc1cc(N)[nH+]c(SCc2nnc(-c3cccs3)o2)n1 ZINC000005689758 181273127 /nfs/dbraw/zinc/27/31/27/181273127.db2.gz GRIBACHNYJGCQH-UHFFFAOYSA-N 1 0 306.376 2.045 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000575604892 540250280 /nfs/dbraw/zinc/25/02/80/540250280.db2.gz DCENSQHVMJQFDX-OAHLLOKOSA-N 1 0 322.836 2.252 50 0 DEAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)O[C@@H](C)C2 ZINC000236863017 202041972 /nfs/dbraw/zinc/04/19/72/202041972.db2.gz VFKBEAHMXZEKOT-ZOWXZIJZSA-N 1 0 318.417 2.152 50 0 DEAARO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237002241 202116352 /nfs/dbraw/zinc/11/63/52/202116352.db2.gz DXQRFNKQPJTZHB-CZUORRHYSA-N 1 0 312.417 2.329 50 0 DEAARO COC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000237068934 202141125 /nfs/dbraw/zinc/14/11/25/202141125.db2.gz XBLPHLJOLHWGTC-YPMHNXCESA-N 1 0 316.323 2.119 50 0 DEAARO CC[C@H]1C[N@H+](C)CCN1c1cc(-c2ccccc2)nc2ncnn21 ZINC000585085905 540255757 /nfs/dbraw/zinc/25/57/57/540255757.db2.gz PHNFRFIJNXPKFT-HNNXBMFYSA-N 1 0 322.416 2.322 50 0 DEAARO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCc4nn[nH]c4C3)n2)cc1 ZINC000585095657 540256832 /nfs/dbraw/zinc/25/68/32/540256832.db2.gz YZDQDTLBWYGFGH-CYBMUJFWSA-N 1 0 324.388 2.189 50 0 DEAARO COc1ccccc1OCCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237141513 202166133 /nfs/dbraw/zinc/16/61/33/202166133.db2.gz VZVQZMHUUZYWKE-KGLIPLIRSA-N 1 0 306.406 2.050 50 0 DEAARO COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000237247444 202203530 /nfs/dbraw/zinc/20/35/30/202203530.db2.gz RTDKYUIJNIHSFE-CPUCHLNUSA-N 1 0 320.433 2.186 50 0 DEAARO CN(Cc1cnc2ccccc2n1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000584892380 357327930 /nfs/dbraw/zinc/32/79/30/357327930.db2.gz OBLCZIWTPMLFMF-HIFRSBDPSA-N 1 0 310.401 2.073 50 0 DEAARO Cn1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000178590366 198893190 /nfs/dbraw/zinc/89/31/90/198893190.db2.gz AVOMSZJABZMGET-LLVKDONJSA-N 1 0 318.808 2.161 50 0 DEAARO COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000237305435 202225045 /nfs/dbraw/zinc/22/50/45/202225045.db2.gz FPMIBDXTNDVWSQ-AGMJWKPSSA-N 1 0 306.381 2.433 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000237303748 202225388 /nfs/dbraw/zinc/22/53/88/202225388.db2.gz WQGRQOJXKVJCBN-ZCPGHIKRSA-N 1 0 302.418 2.385 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c2cccnc12 ZINC000237634931 202312148 /nfs/dbraw/zinc/31/21/48/202312148.db2.gz NQFVGDOHHBVZJE-QWHCGFSZSA-N 1 0 319.430 2.044 50 0 DEAARO [NH3+]CCC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000237850311 202370484 /nfs/dbraw/zinc/37/04/84/202370484.db2.gz QUCLFXHEDQFVOB-SNVBAGLBSA-N 1 0 303.189 2.322 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000237930197 202395867 /nfs/dbraw/zinc/39/58/67/202395867.db2.gz SFZVHCKFRDAURW-GFCCVEGCSA-N 1 0 305.378 2.046 50 0 DEAARO Cn1cncc1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000237932496 202395880 /nfs/dbraw/zinc/39/58/80/202395880.db2.gz PBBYCHDAQMWCMI-LBPRGKRZSA-N 1 0 306.360 2.314 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)C1 ZINC000237893617 283580500 /nfs/dbraw/zinc/58/05/00/283580500.db2.gz XNMVPAFSKVQEHZ-NUEKZKHPSA-N 1 0 306.381 2.243 50 0 DEAARO O=C([O-])[C@@H]1CC2(C[N@@H+]1Cc1cc3ccccc3[nH]1)CC[NH2+]CC2 ZINC000072164276 304099240 /nfs/dbraw/zinc/09/92/40/304099240.db2.gz SPHVULGIVYJWLJ-INIZCTEOSA-N 1 0 313.401 2.197 50 0 DEAARO OC[C@@H]1CCC[N@H+](CCNc2ccc(C(F)(F)F)cn2)C1 ZINC000670436340 540933480 /nfs/dbraw/zinc/93/34/80/540933480.db2.gz HYGGNYZATFUFDK-LLVKDONJSA-N 1 0 303.328 2.217 50 0 DEAARO COCC[NH+]1CCC(c2ncnn2Cc2ccc(F)cc2)CC1 ZINC000670450287 540935188 /nfs/dbraw/zinc/93/51/88/540935188.db2.gz DHTBWKJBBMPSBK-UHFFFAOYSA-N 1 0 318.396 2.291 50 0 DEAARO c1coc(CN2CCC([NH2+]CCc3nc(C4CC4)no3)CC2)c1 ZINC000670459534 540936855 /nfs/dbraw/zinc/93/68/55/540936855.db2.gz CQDHDALMVFSREF-UHFFFAOYSA-N 1 0 316.405 2.337 50 0 DEAARO O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000670467540 540937712 /nfs/dbraw/zinc/93/77/12/540937712.db2.gz GJGPPHANPCJKJJ-OAHLLOKOSA-N 1 0 319.453 2.167 50 0 DEAARO Cc1cnc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cn1 ZINC000670468789 540938181 /nfs/dbraw/zinc/93/81/81/540938181.db2.gz JUWBSYYREDEGJX-AWEZNQCLSA-N 1 0 308.389 2.207 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1Cl ZINC000006558598 181354824 /nfs/dbraw/zinc/35/48/24/181354824.db2.gz ABKYQQJWEXSYAL-NSHDSACASA-N 1 0 302.827 2.103 50 0 DEAARO CC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1cccn1 ZINC000091663600 193087069 /nfs/dbraw/zinc/08/70/69/193087069.db2.gz HDNSHYLCKSOHLJ-INIZCTEOSA-N 1 0 304.438 2.311 50 0 DEAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000091808682 193111671 /nfs/dbraw/zinc/11/16/71/193111671.db2.gz CUHHAMAJLIOLPN-LLVKDONJSA-N 1 0 324.808 2.119 50 0 DEAARO C/C=C/C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000091845853 193116964 /nfs/dbraw/zinc/11/69/64/193116964.db2.gz IKJKMMJGRONVKG-SSBHQGKESA-N 1 0 303.406 2.290 50 0 DEAARO Cc1ocnc1C(=O)N[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1C(C)C ZINC000091894070 193123407 /nfs/dbraw/zinc/12/34/07/193123407.db2.gz QEEIDONXKIMWGL-CABCVRRESA-N 1 0 305.422 2.469 50 0 DEAARO CC(C)n1cnnc1C[N@@H+]1CC[C@]2(C1)CCCN(C(C)C)C2=O ZINC000091951274 193131567 /nfs/dbraw/zinc/13/15/67/193131567.db2.gz QGUGJEVBWWTUSR-KRWDZBQOSA-N 1 0 319.453 2.082 50 0 DEAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@@](CO)(CC2CC2)C1 ZINC000091986907 193136707 /nfs/dbraw/zinc/13/67/07/193136707.db2.gz WFCNBSFFVRETHJ-GOSISDBHSA-N 1 0 308.466 2.264 50 0 DEAARO O[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000222861654 201626364 /nfs/dbraw/zinc/62/63/64/201626364.db2.gz HULUPHUJHJZINF-HZPDHXFCSA-N 1 0 310.825 2.048 50 0 DEAARO CC(C)(C)n1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)cn1 ZINC000093151071 193208483 /nfs/dbraw/zinc/20/84/83/193208483.db2.gz DVOHQTBIBGDPSO-UHFFFAOYSA-N 1 0 314.437 2.140 50 0 DEAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000093531059 193265670 /nfs/dbraw/zinc/26/56/70/193265670.db2.gz NHWZBQPCRQAIGC-LBPRGKRZSA-N 1 0 322.430 2.119 50 0 DEAARO COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000093669453 193287741 /nfs/dbraw/zinc/28/77/41/193287741.db2.gz LSCSETDBEKDHCW-UHFFFAOYSA-N 1 0 303.406 2.075 50 0 DEAARO C[C@H]1C[NH+](CCC2CCN(Cc3c[nH]cn3)CC2)C[C@H](C)O1 ZINC000093844314 193318090 /nfs/dbraw/zinc/31/80/90/193318090.db2.gz CDVYWZUPBTVDOH-GJZGRUSLSA-N 1 0 306.454 2.121 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCc1csc(N)n1 ZINC000095355339 193427803 /nfs/dbraw/zinc/42/78/03/193427803.db2.gz FVJPKKMHRQVAMU-CYBMUJFWSA-N 1 0 310.467 2.039 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000095940728 193452570 /nfs/dbraw/zinc/45/25/70/193452570.db2.gz CEXUGJJANOSHRN-STQMWFEESA-N 1 0 300.443 2.383 50 0 DEAARO NC(=O)c1c[nH+]ccc1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000095941124 193452815 /nfs/dbraw/zinc/45/28/15/193452815.db2.gz ZBWNLIIOEYYERC-NSHDSACASA-N 1 0 318.327 2.150 50 0 DEAARO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc([S@](C)=O)cc1 ZINC000095968217 193465474 /nfs/dbraw/zinc/46/54/74/193465474.db2.gz TVUBTMHMJQSEDV-FKIZINRSSA-N 1 0 313.488 2.333 50 0 DEAARO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1F ZINC000095985155 193478112 /nfs/dbraw/zinc/47/81/12/193478112.db2.gz YQZBMXYABFSFJB-DETPVDSQSA-N 1 0 324.396 2.121 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]C(C)(C)C)C2=O)c1 ZINC000011996874 181723185 /nfs/dbraw/zinc/72/31/85/181723185.db2.gz XFQZMABLYBWAQC-SFHVURJKSA-N 1 0 304.434 2.237 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2ccccn2)CN1CCc1ccc(F)cc1 ZINC000015079698 181987770 /nfs/dbraw/zinc/98/77/70/181987770.db2.gz LJTDIHQZBZKPKM-KRWDZBQOSA-N 1 0 313.376 2.154 50 0 DEAARO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000288361347 220107046 /nfs/dbraw/zinc/10/70/46/220107046.db2.gz NLPSQJXGFPLAIA-UHFFFAOYSA-N 1 0 316.854 2.197 50 0 DEAARO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000015724266 182013416 /nfs/dbraw/zinc/01/34/16/182013416.db2.gz GLKNABKGKCGHNA-ZENOOKHLSA-N 1 0 313.825 2.327 50 0 DEAARO CC[NH+]1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000016602385 182051517 /nfs/dbraw/zinc/05/15/17/182051517.db2.gz HHNKCXYMEFAHOS-UHFFFAOYSA-N 1 0 301.184 2.256 50 0 DEAARO CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000017054959 182072861 /nfs/dbraw/zinc/07/28/61/182072861.db2.gz LMRRZLVIXWABAC-UHFFFAOYSA-N 1 0 319.405 2.454 50 0 DEAARO Cc1nonc1CN(C)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000019112918 182104440 /nfs/dbraw/zinc/10/44/40/182104440.db2.gz KOBVZCAGUWJHQU-SNVBAGLBSA-N 1 0 306.391 2.136 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2cccs2)C(=O)N1c1ccc(F)cc1 ZINC000019343746 182117808 /nfs/dbraw/zinc/11/78/08/182117808.db2.gz BDDMNUHEJNZGEY-ZDUSSCGKSA-N 1 0 304.346 2.309 50 0 DEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000019732561 182139193 /nfs/dbraw/zinc/13/91/93/182139193.db2.gz PYZQUMHYZPZHEQ-INIZCTEOSA-N 1 0 321.421 2.018 50 0 DEAARO CN(C(=O)c1coc(COc2ccccc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000019595202 182133119 /nfs/dbraw/zinc/13/31/19/182133119.db2.gz AQHYGHORKURXDH-ZDUSSCGKSA-N 1 0 315.373 2.030 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000022999720 182344367 /nfs/dbraw/zinc/34/43/67/182344367.db2.gz LLSLKIJXNXAKME-UHFFFAOYSA-N 1 0 320.817 2.099 50 0 DEAARO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921016 182341550 /nfs/dbraw/zinc/34/15/50/182341550.db2.gz XBKYGHLSVYDCGL-ZWKOTPCHSA-N 1 0 320.477 2.425 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1F ZINC000040105108 183035706 /nfs/dbraw/zinc/03/57/06/183035706.db2.gz IPDXGGUNBULDEC-UHFFFAOYSA-N 1 0 314.426 2.144 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040108095 183036072 /nfs/dbraw/zinc/03/60/72/183036072.db2.gz XJJDVBKSHMVQBI-CQSZACIVSA-N 1 0 302.418 2.473 50 0 DEAARO Cc1ccc(C(=O)Nc2nnc(C3CC[NH2+]CC3)o2)c(C)c1 ZINC000040539842 183097129 /nfs/dbraw/zinc/09/71/29/183097129.db2.gz JEISORKGILXCLF-UHFFFAOYSA-N 1 0 300.362 2.406 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 ZINC000040597638 183107253 /nfs/dbraw/zinc/10/72/53/183107253.db2.gz PVJLGWQJMAJHOS-LBPRGKRZSA-N 1 0 316.854 2.269 50 0 DEAARO O=C(Nc1nncs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043130982 183339618 /nfs/dbraw/zinc/33/96/18/183339618.db2.gz TWDMBSQAFDHQHI-UHFFFAOYSA-N 1 0 317.418 2.324 50 0 DEAARO O=C(N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000043763828 183384867 /nfs/dbraw/zinc/38/48/67/183384867.db2.gz JVOUIFUIIPEWLM-BZSNNMDCSA-N 1 0 310.397 2.330 50 0 DEAARO CC(C)n1ncc2cc(C(=O)N3CCC([NH+](C)C)CC3)cnc21 ZINC000044934987 183460777 /nfs/dbraw/zinc/46/07/77/183460777.db2.gz ZSIAUSXREBUDDC-UHFFFAOYSA-N 1 0 315.421 2.178 50 0 DEAARO O=C(NC1CC1)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000055913020 184000227 /nfs/dbraw/zinc/00/02/27/184000227.db2.gz XICAOPLPUPIQHN-INIZCTEOSA-N 1 0 322.836 2.364 50 0 DEAARO CCOc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000057554918 184042218 /nfs/dbraw/zinc/04/22/18/184042218.db2.gz QOSFAZFKRSKVTI-JTQLQIEISA-N 1 0 309.797 2.100 50 0 DEAARO CC(C)([NH2+]CCC(=O)N1CCOCC1)c1ccc(Cl)cc1 ZINC000057846782 184057527 /nfs/dbraw/zinc/05/75/27/184057527.db2.gz APHDABWKIOGUDQ-UHFFFAOYSA-N 1 0 310.825 2.414 50 0 DEAARO O=C(COCc1ccccc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058174080 184084394 /nfs/dbraw/zinc/08/43/94/184084394.db2.gz UXRXOYRODKUQGS-CYBMUJFWSA-N 1 0 308.809 2.210 50 0 DEAARO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000058343952 184107207 /nfs/dbraw/zinc/10/72/07/184107207.db2.gz XPJOMECYWFNVNW-HOCLYGCPSA-N 1 0 317.433 2.192 50 0 DEAARO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000058343953 184107230 /nfs/dbraw/zinc/10/72/30/184107230.db2.gz XPJOMECYWFNVNW-ZBFHGGJFSA-N 1 0 317.433 2.192 50 0 DEAARO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]CCC(=O)N(C)C ZINC000058420560 184116107 /nfs/dbraw/zinc/11/61/07/184116107.db2.gz WMPPJNXQMWFOHV-UHFFFAOYSA-N 1 0 316.405 2.089 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000060524403 184151550 /nfs/dbraw/zinc/15/15/50/184151550.db2.gz YTWSOSUXZXYUNG-GFCCVEGCSA-N 1 0 302.378 2.274 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC000062640109 184245981 /nfs/dbraw/zinc/24/59/81/184245981.db2.gz JGRGJKNWCMBFRN-MRXNPFEDSA-N 1 0 322.416 2.390 50 0 DEAARO Cc1ccc(NC(=O)C[NH2+]CCCc2csc(N)n2)cc1F ZINC000065394610 184334578 /nfs/dbraw/zinc/33/45/78/184334578.db2.gz YZNCFFKANYOKNO-UHFFFAOYSA-N 1 0 322.409 2.334 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000269169560 207291279 /nfs/dbraw/zinc/29/12/79/207291279.db2.gz SPCFZIZDPIKYSI-ZJUUUORDSA-N 1 0 300.761 2.054 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000269169557 207291978 /nfs/dbraw/zinc/29/19/78/207291978.db2.gz SPCFZIZDPIKYSI-NXEZZACHSA-N 1 0 300.761 2.054 50 0 DEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000065370823 184329274 /nfs/dbraw/zinc/32/92/74/184329274.db2.gz GZSOVFSGQXFEFH-SFHVURJKSA-N 1 0 314.429 2.271 50 0 DEAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccc(F)cc1 ZINC000065457524 184348265 /nfs/dbraw/zinc/34/82/65/184348265.db2.gz HDEZTWPMTUUQIM-MRXNPFEDSA-N 1 0 312.348 2.434 50 0 DEAARO C[C@H](Cc1cnccn1)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000065459770 184348503 /nfs/dbraw/zinc/34/85/03/184348503.db2.gz LUQPKGXOIBXDFL-CQSZACIVSA-N 1 0 304.438 2.226 50 0 DEAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000065493482 184354478 /nfs/dbraw/zinc/35/44/78/184354478.db2.gz IFSFICBPNRJCSJ-CQSZACIVSA-N 1 0 302.374 2.273 50 0 DEAARO Cc1cc(C[C@H](C)[NH2+]CCC(=O)NC2CCCCCC2)[nH]n1 ZINC000065397676 184335971 /nfs/dbraw/zinc/33/59/71/184335971.db2.gz FKCXBSGAGNHFOQ-ZDUSSCGKSA-N 1 0 306.454 2.468 50 0 DEAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000065405610 184338083 /nfs/dbraw/zinc/33/80/83/184338083.db2.gz DUATXUCYMFKUEA-ZDUSSCGKSA-N 1 0 314.385 2.053 50 0 DEAARO CC[N@@H+](CC(=O)NCc1ccccc1F)CC1CCOCC1 ZINC000065527683 184360459 /nfs/dbraw/zinc/36/04/59/184360459.db2.gz YBTZMXCPSKHGKY-UHFFFAOYSA-N 1 0 308.397 2.190 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC000065586361 184368893 /nfs/dbraw/zinc/36/88/93/184368893.db2.gz FIMDZJPMAWKILS-INIZCTEOSA-N 1 0 316.445 2.111 50 0 DEAARO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)ccc1F ZINC000065593116 184370420 /nfs/dbraw/zinc/37/04/20/184370420.db2.gz CWWQYDCOXMFISL-UHFFFAOYSA-N 1 0 321.396 2.063 50 0 DEAARO c1cn(CCCNc2ncnc3sc4c(c32)CC[NH2+]C4)cn1 ZINC000065494991 184355118 /nfs/dbraw/zinc/35/51/18/184355118.db2.gz KRMHSNOSVILZSO-UHFFFAOYSA-N 1 0 314.418 2.036 50 0 DEAARO Cc1oc(-c2ccco2)nc1CC(=O)NCC(C)(C)[NH+](C)C ZINC000065622298 184374844 /nfs/dbraw/zinc/37/48/44/184374844.db2.gz NVLFETZBYBQEBW-UHFFFAOYSA-N 1 0 305.378 2.242 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000065624435 184375644 /nfs/dbraw/zinc/37/56/44/184375644.db2.gz XZWYLKKXGRJOCN-CQSZACIVSA-N 1 0 318.339 2.048 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 ZINC000158966545 197314731 /nfs/dbraw/zinc/31/47/31/197314731.db2.gz IFMSZDOWTMNUNT-OAHLLOKOSA-N 1 0 312.417 2.252 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000158459963 197274037 /nfs/dbraw/zinc/27/40/37/197274037.db2.gz MVROTKUKQINTOS-OAHLLOKOSA-N 1 0 322.836 2.338 50 0 DEAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)[C@H]1C[NH3+] ZINC000252202429 296398152 /nfs/dbraw/zinc/39/81/52/296398152.db2.gz UJEVTHCZDHFVNZ-BDAKNGLRSA-N 1 0 308.856 2.149 50 0 DEAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000155217075 197033272 /nfs/dbraw/zinc/03/32/72/197033272.db2.gz GDSYRVGOBMOTOI-LERXQTSPSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000155166233 197028813 /nfs/dbraw/zinc/02/88/13/197028813.db2.gz XZDVEIDNXOIFHS-NSHDSACASA-N 1 0 323.234 2.301 50 0 DEAARO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000036297643 256532887 /nfs/dbraw/zinc/53/28/87/256532887.db2.gz VBBMSWFRSCNMML-CYBMUJFWSA-N 1 0 310.444 2.343 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(F)c(Cl)c2)C1 ZINC000237923076 257237486 /nfs/dbraw/zinc/23/74/86/257237486.db2.gz PMQJHLBAHSOOQT-SECBINFHSA-N 1 0 308.744 2.042 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000237990803 257237617 /nfs/dbraw/zinc/23/76/17/257237617.db2.gz FRXGHWLPJQCINJ-ZDSQKVDBSA-N 1 0 317.216 2.270 50 0 DEAARO C[NH+]1CCC(CC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000368277395 133267503 /nfs/dbraw/zinc/26/75/03/133267503.db2.gz BPSQRLGLVQOKOY-KRWDZBQOSA-N 1 0 302.418 2.398 50 0 DEAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCCO2)CC1 ZINC000060388698 134798694 /nfs/dbraw/zinc/79/86/94/134798694.db2.gz UGLSOOYYKYVBTD-HNNXBMFYSA-N 1 0 323.824 2.209 50 0 DEAARO O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CC[NH2+]CC1 ZINC000002953000 401720097 /nfs/dbraw/zinc/72/00/97/401720097.db2.gz QGGRZRQJMKQISZ-KRWDZBQOSA-N 1 0 310.397 2.346 50 0 DEAARO CC[NH2+]CC(=O)Nc1ccc(I)cc1C ZINC000006939336 401734432 /nfs/dbraw/zinc/73/44/32/401734432.db2.gz OQQGDGRAZLZOGL-UHFFFAOYSA-N 1 0 318.158 2.148 50 0 DEAARO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000112561122 401749301 /nfs/dbraw/zinc/74/93/01/401749301.db2.gz OHBAEOOVIXHUDC-MRXNPFEDSA-N 1 0 302.418 2.222 50 0 DEAARO CN(Cc1nccs1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000074545759 401741940 /nfs/dbraw/zinc/74/19/40/401741940.db2.gz DXQODVVVXAJZAX-AWEZNQCLSA-N 1 0 303.431 2.274 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000071870477 401689754 /nfs/dbraw/zinc/68/97/54/401689754.db2.gz KGOLBBDUTMVUGF-KGLIPLIRSA-N 1 0 323.462 2.378 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)CCO1 ZINC000071878872 401691213 /nfs/dbraw/zinc/69/12/13/401691213.db2.gz VCRJCJJWZOBYNG-MRXNPFEDSA-N 1 0 301.390 2.104 50 0 DEAARO COc1cc(/C=C/C(=O)N2CC[NH2+]C[C@@H]2C)cc(Cl)c1OC ZINC000126466306 401695749 /nfs/dbraw/zinc/69/57/49/401695749.db2.gz VYNLDGGHHFSUTL-ZWNMCFTASA-N 1 0 324.808 2.191 50 0 DEAARO CC(C)c1cc(NC[C@@H](O)C[NH+]2CCCCC2)n2nccc2n1 ZINC000072130713 401703618 /nfs/dbraw/zinc/70/36/18/401703618.db2.gz PIVDIJMHPGSVBG-CQSZACIVSA-N 1 0 317.437 2.111 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000072253347 401703963 /nfs/dbraw/zinc/70/39/63/401703963.db2.gz MPVKSTNTUNHMKM-CJNGLKHVSA-N 1 0 322.359 2.144 50 0 DEAARO O=C(NCc1ccco1)c1cccc(C[NH2+]CCn2cccn2)c1 ZINC000072267764 401704890 /nfs/dbraw/zinc/70/48/90/401704890.db2.gz SCKYQSHVYMWUSI-UHFFFAOYSA-N 1 0 324.384 2.196 50 0 DEAARO CCOCCCC(=O)Nc1ccn(CCC[NH+]2CCCC2)n1 ZINC000072290130 401706446 /nfs/dbraw/zinc/70/64/46/401706446.db2.gz PVCUDSZKKRGZBR-UHFFFAOYSA-N 1 0 308.426 2.124 50 0 DEAARO CCOc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000072297699 401707833 /nfs/dbraw/zinc/70/78/33/401707833.db2.gz MWARGTICMZWLLD-OAHLLOKOSA-N 1 0 305.422 2.427 50 0 DEAARO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccccc1 ZINC000001684568 401710069 /nfs/dbraw/zinc/71/00/69/401710069.db2.gz RWQXNROEHRGDNP-UHFFFAOYSA-N 1 0 307.390 2.395 50 0 DEAARO Cc1ccc(CS(=O)(=O)c2nnc(CCCCC[NH3+])o2)cc1 ZINC000002204081 401712287 /nfs/dbraw/zinc/71/22/87/401712287.db2.gz ZSFQZLYEEPNFEQ-UHFFFAOYSA-N 1 0 323.418 2.023 50 0 DEAARO CSc1ccccc1NC(=O)CN(C)C1CC[NH+](C)CC1 ZINC000002633035 401716126 /nfs/dbraw/zinc/71/61/26/401716126.db2.gz SLGTVEQLQMNMDK-UHFFFAOYSA-N 1 0 307.463 2.373 50 0 DEAARO Cn1ncc2c1ncnc2NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014161000 401808389 /nfs/dbraw/zinc/80/83/89/401808389.db2.gz LEDTZPJIZGSSLU-UHFFFAOYSA-N 1 0 322.416 2.440 50 0 DEAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2csc(C)n2)ncn1 ZINC000075132725 401750778 /nfs/dbraw/zinc/75/07/78/401750778.db2.gz NJDFDCJPIIBKMM-CYBMUJFWSA-N 1 0 318.450 2.042 50 0 DEAARO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145340 401752317 /nfs/dbraw/zinc/75/23/17/401752317.db2.gz ZSJRLANZGISHGH-ZFWWWQNUSA-N 1 0 323.506 2.477 50 0 DEAARO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1OC ZINC000008593743 401754012 /nfs/dbraw/zinc/75/40/12/401754012.db2.gz MCDJXAHBQPFGND-AWEZNQCLSA-N 1 0 319.405 2.406 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cn2ccccc2n1 ZINC000008776063 401757023 /nfs/dbraw/zinc/75/70/23/401757023.db2.gz DYHUNWBPYSRRSI-OAHLLOKOSA-N 1 0 324.384 2.494 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000014215731 401809545 /nfs/dbraw/zinc/80/95/45/401809545.db2.gz SPFNMSYCBNDMES-ZDUSSCGKSA-N 1 0 312.377 2.205 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000009483977 401762695 /nfs/dbraw/zinc/76/26/95/401762695.db2.gz HGGAARQHRLEHJW-BETUJISGSA-N 1 0 304.390 2.009 50 0 DEAARO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCc1cccnc1 ZINC000075830926 401769879 /nfs/dbraw/zinc/76/98/79/401769879.db2.gz YDPQKVKSFYCCNU-QGZVFWFLSA-N 1 0 317.433 2.121 50 0 DEAARO CC[C@@H](CO)[NH+]1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000075963272 401775389 /nfs/dbraw/zinc/77/53/89/401775389.db2.gz XXACDEDQYLUWOH-HNNXBMFYSA-N 1 0 321.446 2.292 50 0 DEAARO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)o1 ZINC000011878150 401777467 /nfs/dbraw/zinc/77/74/67/401777467.db2.gz FOBFNTIQLHYGRM-MRXNPFEDSA-N 1 0 310.397 2.446 50 0 DEAARO C[NH+]1CCC(OCCCn2ccnc2-c2ccncc2)CC1 ZINC000077322907 401810424 /nfs/dbraw/zinc/81/04/24/401810424.db2.gz DKUQAAZOFYQYSI-UHFFFAOYSA-N 1 0 300.406 2.446 50 0 DEAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070248 401780412 /nfs/dbraw/zinc/78/04/12/401780412.db2.gz DPZXGNHMFPOOJI-OLZOCXBDSA-N 1 0 310.467 2.273 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000076089590 401781557 /nfs/dbraw/zinc/78/15/57/401781557.db2.gz PLJONMZHZSNIIQ-IUODEOHRSA-N 1 0 314.426 2.148 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2cnc[nH]2)CN1Cc1cccc2ccccc21 ZINC000012315099 401783297 /nfs/dbraw/zinc/78/32/97/401783297.db2.gz UDXTVQAQVVURGK-INIZCTEOSA-N 1 0 320.396 2.454 50 0 DEAARO CC(C)C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1F)C(N)=O ZINC000012431812 401785938 /nfs/dbraw/zinc/78/59/38/401785938.db2.gz TYTSQCYUUCDHOA-HNNXBMFYSA-N 1 0 318.396 2.216 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012932623 401794189 /nfs/dbraw/zinc/79/41/89/401794189.db2.gz SNFOJHKYLPZEEH-GFCCVEGCSA-N 1 0 306.406 2.241 50 0 DEAARO CN(C)c1cc[n+](CC(=O)c2ccc(Br)cc2)cc1 ZINC000013120151 401796706 /nfs/dbraw/zinc/79/67/06/401796706.db2.gz AHRUQZJYMIASQM-UHFFFAOYSA-N 1 0 320.210 2.165 50 0 DEAARO Cn1cc([C@](C)(O)C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000130043536 401816603 /nfs/dbraw/zinc/81/66/03/401816603.db2.gz WDRLIRPRTUFYGV-WCFLWFBJSA-N 1 0 305.344 2.338 50 0 DEAARO C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 ZINC000015350147 401817715 /nfs/dbraw/zinc/81/77/15/401817715.db2.gz PDYNVWJRNZZEDN-UHFFFAOYSA-N 1 0 302.378 2.059 50 0 DEAARO Cc1[nH]cnc1-c1nccn1CCCOC1CC[NH+](C)CC1 ZINC000077517275 401818622 /nfs/dbraw/zinc/81/86/22/401818622.db2.gz HVQHMHGVQWKJSD-UHFFFAOYSA-N 1 0 303.410 2.083 50 0 DEAARO O=C(NCCc1cnccn1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000020541533 401824712 /nfs/dbraw/zinc/82/47/12/401824712.db2.gz UGXRELVWVQJXTD-SFHVURJKSA-N 1 0 324.428 2.190 50 0 DEAARO Cc1cc(Cl)cc(C)c1OCCOCCN1CC[NH2+]CC1 ZINC000022577170 401827120 /nfs/dbraw/zinc/82/71/20/401827120.db2.gz JWZTUOHCOKHDHJ-UHFFFAOYSA-N 1 0 312.841 2.257 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000078484377 401852851 /nfs/dbraw/zinc/85/28/51/401852851.db2.gz GVKPYLAXJXNCRN-NSHDSACASA-N 1 0 304.419 2.352 50 0 DEAARO Cc1nc(CN2CC[NH+](C[C@H](C)c3ccccc3)CC2)no1 ZINC000116879522 401862971 /nfs/dbraw/zinc/86/29/71/401862971.db2.gz BAGTVMSQFHKRAQ-AWEZNQCLSA-N 1 0 300.406 2.299 50 0 DEAARO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccs1 ZINC000030658197 401864878 /nfs/dbraw/zinc/86/48/78/401864878.db2.gz LOGODNGZMKOQMJ-UHFFFAOYSA-N 1 0 310.444 2.288 50 0 DEAARO CCc1cnc(CN(C)[C@H]2CC[N@H+](CC3CCOCC3)C2)o1 ZINC000078891885 401868112 /nfs/dbraw/zinc/86/81/12/401868112.db2.gz IWNOLIAVQRBSEU-HNNXBMFYSA-N 1 0 307.438 2.170 50 0 DEAARO CC[NH+]1CCN(CCCNC(=O)Nc2cccc(C)c2)CC1 ZINC000031097420 401868440 /nfs/dbraw/zinc/86/84/40/401868440.db2.gz DCHZUKPIJXOECS-UHFFFAOYSA-N 1 0 304.438 2.144 50 0 DEAARO CC[NH+]1CCN(c2nc3ccccc3c(N3CCCC3)n2)CC1 ZINC000041148313 401927816 /nfs/dbraw/zinc/92/78/16/401927816.db2.gz SUGAHTWWIIPWJQ-UHFFFAOYSA-N 1 0 311.433 2.372 50 0 DEAARO CC1(C)C[C@H]([NH2+]CCNCc2ccc3c(c2)OCO3)CCO1 ZINC000032123839 401876550 /nfs/dbraw/zinc/87/65/50/401876550.db2.gz PIAIRWUOQZBEBC-CQSZACIVSA-N 1 0 306.406 2.052 50 0 biogenic DEAARO COc1ccc([C@@H](CNC(=O)c2cccc(C)n2)[NH+](C)C)cc1 ZINC000032202160 401877036 /nfs/dbraw/zinc/87/70/36/401877036.db2.gz MRUZZRRJSDUIGT-QGZVFWFLSA-N 1 0 313.401 2.431 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000089091777 401934832 /nfs/dbraw/zinc/93/48/32/401934832.db2.gz RNISNQVUYMSVOP-GZMMTYOYSA-N 1 0 323.245 2.399 50 0 DEAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000033310896 401890081 /nfs/dbraw/zinc/89/00/81/401890081.db2.gz RYXOJVLTKNOQBB-BBRMVZONSA-N 1 0 316.401 2.449 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000036977181 401909722 /nfs/dbraw/zinc/90/97/22/401909722.db2.gz XSUAWPUTAVUYMQ-GFCCVEGCSA-N 1 0 315.186 2.347 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000046319915 401968973 /nfs/dbraw/zinc/96/89/73/401968973.db2.gz DRYXGKIYSDRJSN-OAQYLSRUSA-N 1 0 308.447 2.027 50 0 DEAARO CC(C)Oc1ccc([C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000089929868 401974140 /nfs/dbraw/zinc/97/41/40/401974140.db2.gz ZVLHZHHWEIBEHO-YOEHRIQHSA-N 1 0 320.433 2.108 50 0 DEAARO Cc1noc2ncc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc12 ZINC000047842224 401989282 /nfs/dbraw/zinc/98/92/82/401989282.db2.gz WODKBHWJQJKWAR-UHFFFAOYSA-N 1 0 314.389 2.232 50 0 DEAARO CCC(C)(C)C(=O)N1CCC(Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000048130216 401994180 /nfs/dbraw/zinc/99/41/80/401994180.db2.gz YTWZVDDTMSMTKE-UHFFFAOYSA-N 1 0 321.469 2.147 50 0 DEAARO Cc1cccc([C@@H](C(=O)N2CC([NH+]3CCCCC3)C2)N(C)C)c1 ZINC000091519045 401996316 /nfs/dbraw/zinc/99/63/16/401996316.db2.gz RKRYSTAAFLXXDE-SFHVURJKSA-N 1 0 315.461 2.294 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000050081478 402025614 /nfs/dbraw/zinc/02/56/14/402025614.db2.gz HTVAJNMZJZBNLC-UHFFFAOYSA-N 1 0 321.446 2.193 50 0 DEAARO O=C1NCCCc2nc(C3CC[NH+](Cc4ccccc4)CC3)[nH]c21 ZINC000095359409 402027932 /nfs/dbraw/zinc/02/79/32/402027932.db2.gz LQGWIQSNXJHJNH-UHFFFAOYSA-N 1 0 324.428 2.465 50 0 DEAARO O=C(CCC[NH+]1CCCCC1)N[C@H]1CC(=O)Nc2ccccc21 ZINC000095359476 402028010 /nfs/dbraw/zinc/02/80/10/402028010.db2.gz MUWSVSRKYAWPLZ-INIZCTEOSA-N 1 0 315.417 2.452 50 0 DEAARO Cc1noc(C)c1C[N@H+]1C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C1 ZINC000095366741 402028474 /nfs/dbraw/zinc/02/84/74/402028474.db2.gz XWMOUCYVTQNEFH-DZGCQCFKSA-N 1 0 308.426 2.019 50 0 DEAARO O=C(NCCc1ccncc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095367396 402028586 /nfs/dbraw/zinc/02/85/86/402028586.db2.gz JXYCPMANACIQRK-INIZCTEOSA-N 1 0 313.401 2.246 50 0 DEAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCc2[nH]cnc2C1 ZINC000095369672 402028948 /nfs/dbraw/zinc/02/89/48/402028948.db2.gz GSGCCQRAHGUMMW-LLVKDONJSA-N 1 0 302.403 2.094 50 0 DEAARO CN(C)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000095374648 402029537 /nfs/dbraw/zinc/02/95/37/402029537.db2.gz VTBBPXQUYYCSIB-MRXNPFEDSA-N 1 0 307.413 2.031 50 0 DEAARO Cc1nc2sccc2c(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000095387554 402031788 /nfs/dbraw/zinc/03/17/88/402031788.db2.gz LDRYNKATQDOPJL-UHFFFAOYSA-N 1 0 318.446 2.301 50 0 DEAARO O=C(NCc1cscn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000051311882 402033248 /nfs/dbraw/zinc/03/32/48/402033248.db2.gz OYNSXELLZQFVMW-CYBMUJFWSA-N 1 0 320.418 2.372 50 0 DEAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000095957892 402036511 /nfs/dbraw/zinc/03/65/11/402036511.db2.gz CDZXTQHBWUGUEV-HNNXBMFYSA-N 1 0 317.389 2.456 50 0 DEAARO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(S(C)(=O)=O)cc1 ZINC000095968030 402038529 /nfs/dbraw/zinc/03/85/29/402038529.db2.gz UEAFGCDQNXVLAI-CYBMUJFWSA-N 1 0 320.414 2.215 50 0 DEAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccnn1C1CCCCC1 ZINC000095971645 402039100 /nfs/dbraw/zinc/03/91/00/402039100.db2.gz PULQZDCNMAQJOM-AWEZNQCLSA-N 1 0 306.410 2.095 50 0 DEAARO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1F ZINC000095985157 402042589 /nfs/dbraw/zinc/04/25/89/402042589.db2.gz YQZBMXYABFSFJB-NORZTCDRSA-N 1 0 324.396 2.121 50 0 DEAARO Cc1cnc([C@H](C)CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000096013823 402047588 /nfs/dbraw/zinc/04/75/88/402047588.db2.gz ZQFKXXIMLSPDMH-DGCLKSJQSA-N 1 0 322.478 2.339 50 0 DEAARO Cc1cnc([C@@H](C)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000096013820 402047615 /nfs/dbraw/zinc/04/76/15/402047615.db2.gz ZQFKXXIMLSPDMH-AAEUAGOBSA-N 1 0 322.478 2.339 50 0 DEAARO Cc1noc([C@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000052863702 402048525 /nfs/dbraw/zinc/04/85/25/402048525.db2.gz WTJPSWZBLQKQTJ-ZDUSSCGKSA-N 1 0 306.410 2.006 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000053274896 402053321 /nfs/dbraw/zinc/05/33/21/402053321.db2.gz BQYRPUQOWHDASK-HNNXBMFYSA-N 1 0 312.417 2.461 50 0 DEAARO C[N@H+](CCNC(=O)c1[nH]nc2ccccc21)Cc1ccccc1 ZINC000053349275 402054794 /nfs/dbraw/zinc/05/47/94/402054794.db2.gz AQHHPEPZQBGTOW-UHFFFAOYSA-N 1 0 308.385 2.425 50 0 DEAARO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)nn1C(C)(C)C ZINC000054780143 402071193 /nfs/dbraw/zinc/07/11/93/402071193.db2.gz VGYABNGIWMIFKG-UHFFFAOYSA-N 1 0 306.454 2.408 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000122306601 402071189 /nfs/dbraw/zinc/07/11/89/402071189.db2.gz HBGGMNXMQXHDRZ-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO C[C@@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000055142261 402076394 /nfs/dbraw/zinc/07/63/94/402076394.db2.gz FPZHJCNOOWSTNX-AWEZNQCLSA-N 1 0 300.381 2.369 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122419695 402077497 /nfs/dbraw/zinc/07/74/97/402077497.db2.gz KBEJWEVFAUQTKC-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO O=C1NCCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000096402783 402077816 /nfs/dbraw/zinc/07/78/16/402077816.db2.gz MYPMFUHOOGHMFZ-KRWDZBQOSA-N 1 0 311.385 2.029 50 0 DEAARO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096437218 402086696 /nfs/dbraw/zinc/08/66/96/402086696.db2.gz OULQMMWJXJZMFI-UONOGXRCSA-N 1 0 318.417 2.066 50 0 DEAARO CCOc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1OCC ZINC000152343102 402090205 /nfs/dbraw/zinc/09/02/05/402090205.db2.gz FCKYAZCNRWSFKO-OWNNVSBGSA-N 1 0 304.390 2.057 50 0 DEAARO CC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)[NH+](C)C ZINC000096501419 402097762 /nfs/dbraw/zinc/09/77/62/402097762.db2.gz WIIMFSAWQXNTGA-HNNXBMFYSA-N 1 0 300.406 2.044 50 0 DEAARO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(O)c3)cn2)CCO1 ZINC000058195541 402098876 /nfs/dbraw/zinc/09/88/76/402098876.db2.gz YFNJMXUFWQSSOP-AWEZNQCLSA-N 1 0 313.401 2.302 50 0 DEAARO 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Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)ns1 ZINC000585129936 405874082 /nfs/dbraw/zinc/87/40/82/405874082.db2.gz CEYUFKSPGYNFHK-UHFFFAOYSA-N 1 0 302.403 2.199 50 0 DEAARO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@](C)(c3ccccc3)C2)C1 ZINC000585132432 405874997 /nfs/dbraw/zinc/87/49/97/405874997.db2.gz WPYJCVFIUXWMCZ-YJBOKZPZSA-N 1 0 302.418 2.102 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000575609417 406813415 /nfs/dbraw/zinc/81/34/15/406813415.db2.gz XPZBIDCLGJCVLY-KBPBESRZSA-N 1 0 302.374 2.188 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC000133186595 196318705 /nfs/dbraw/zinc/31/87/05/196318705.db2.gz BLEYYOWEZBIUFQ-AWEZNQCLSA-N 1 0 320.433 2.192 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000133899534 196344907 /nfs/dbraw/zinc/34/49/07/196344907.db2.gz DABAXYOGPYAOBZ-GFCCVEGCSA-N 1 0 316.323 2.295 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000136487204 196539206 /nfs/dbraw/zinc/53/92/06/196539206.db2.gz 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ZINC000048488740 424833709 /nfs/dbraw/zinc/83/37/09/424833709.db2.gz ZREJRTOZGJWACH-NSHDSACASA-N 1 0 317.418 2.387 50 0 DEAARO CC[C@H]([NH2+]Cc1ccccn1)c1ccccc1OCC(=O)NC ZINC000048750060 424835377 /nfs/dbraw/zinc/83/53/77/424835377.db2.gz MHQQMQKVMULGAS-INIZCTEOSA-N 1 0 313.401 2.447 50 0 DEAARO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000107363346 424850401 /nfs/dbraw/zinc/85/04/01/424850401.db2.gz CTINUQDOEPQRCV-RDTXWAMCSA-N 1 0 316.401 2.020 50 0 DEAARO C[C@@H]1CN(c2nc(N3CCCC3)nc3ccccc32)C[C@H](C)[NH2+]1 ZINC000004727691 274367401 /nfs/dbraw/zinc/36/74/01/274367401.db2.gz JRUDQZFHFOWAFQ-OKILXGFUSA-N 1 0 311.433 2.417 50 0 DEAARO Cc1ccc(Cl)cc1N1CC[NH+](CCn2cncn2)CC1 ZINC000220706753 274745376 /nfs/dbraw/zinc/74/53/76/274745376.db2.gz IWZJJRNPBINEPT-UHFFFAOYSA-N 1 0 305.813 2.062 50 0 DEAARO O[C@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCc2ccccc21 ZINC000156887485 275060038 /nfs/dbraw/zinc/06/00/38/275060038.db2.gz UAESOKFVEIKZPM-KRWDZBQOSA-N 1 0 303.402 2.096 50 0 DEAARO CCN(CC)C(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493049 276088822 /nfs/dbraw/zinc/08/88/22/276088822.db2.gz LUGGENGHMFXEKS-MSOLQXFVSA-N 1 0 316.445 2.225 50 0 DEAARO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)C(=O)N1CCOCC1 ZINC000096489393 276588087 /nfs/dbraw/zinc/58/80/87/276588087.db2.gz VSIYMPVMCRHOTA-WFASDCNBSA-N 1 0 324.396 2.122 50 0 DEAARO COC(=O)[C@@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000108367508 277372410 /nfs/dbraw/zinc/37/24/10/277372410.db2.gz OWQGNCBOFYYBPS-IRXDYDNUSA-N 1 0 302.418 2.071 50 0 DEAARO C[C@@H]([NH2+]C1CCC(O)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000089598522 278334487 /nfs/dbraw/zinc/33/44/87/278334487.db2.gz OCLXIWYYVLSODH-HJZRJOMTSA-N 1 0 318.461 2.342 50 0 DEAARO C[C@@H]([NH2+][C@@H](Cn1cncn1)c1ccccc1)C1CCOCC1 ZINC000095421767 278367017 /nfs/dbraw/zinc/36/70/17/278367017.db2.gz LLNBRBWJESFYPE-PBHICJAKSA-N 1 0 300.406 2.424 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000058393358 279197100 /nfs/dbraw/zinc/19/71/00/279197100.db2.gz HTBASPHJRXYBBV-OAHLLOKOSA-N 1 0 321.494 2.249 50 0 DEAARO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091848736 280205655 /nfs/dbraw/zinc/20/56/55/280205655.db2.gz PGPKFOAZSOIUPW-JKSUJKDBSA-N 1 0 310.401 2.146 50 0 DEAARO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000237809622 280793947 /nfs/dbraw/zinc/79/39/47/280793947.db2.gz LSZRVDMTJXKATH-NSHDSACASA-N 1 0 322.352 2.126 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000097162727 298927381 /nfs/dbraw/zinc/92/73/81/298927381.db2.gz PTIFPDYWHCJTHK-KGLIPLIRSA-N 1 0 308.426 2.261 50 0 DEAARO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3CCCCC3)ccc12 ZINC000001522267 301068651 /nfs/dbraw/zinc/06/86/51/301068651.db2.gz MKIFEBNUPXZJLM-AWEZNQCLSA-N 1 0 317.385 2.327 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000195544585 303400251 /nfs/dbraw/zinc/40/02/51/303400251.db2.gz CKEYSRDNGGDIRU-JSGCOSHPSA-N 1 0 319.430 2.031 50 0 DEAARO COCc1cc(N[C@H](C)C[N@@H+]2CCc3ccccc3C2)ncn1 ZINC000092028366 332117957 /nfs/dbraw/zinc/11/79/57/332117957.db2.gz QIHVLZWQCIOCSI-CQSZACIVSA-N 1 0 312.417 2.482 50 0 DEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1Cl ZINC000097234995 332335579 /nfs/dbraw/zinc/33/55/79/332335579.db2.gz MFKQZWKWBPQLCL-LLVKDONJSA-N 1 0 302.827 2.021 50 0 DEAARO CCn1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 ZINC000189606930 333163686 /nfs/dbraw/zinc/16/36/86/333163686.db2.gz QSDWGVPNWIPFNP-QWHCGFSZSA-N 1 0 305.344 2.476 50 0 DEAARO Cc1cccc([C@H](CNC(=O)CCc2ccno2)[NH+](C)C)c1 ZINC000534577776 334288387 /nfs/dbraw/zinc/28/83/87/334288387.db2.gz ITUSLDDCSPZSMF-INIZCTEOSA-N 1 0 301.390 2.335 50 0 DEAARO CC[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000534645928 334307279 /nfs/dbraw/zinc/30/72/79/334307279.db2.gz QTYCWKAWJUACIJ-LBPRGKRZSA-N 1 0 321.450 2.173 50 0 DEAARO O=C1CC[C@@H]([NH2+]Cc2cccc(CO)c2)CCN1CC1CC1 ZINC000534635506 334309043 /nfs/dbraw/zinc/30/90/43/334309043.db2.gz PATJRSBJFYSOMG-QGZVFWFLSA-N 1 0 302.418 2.060 50 0 DEAARO Cc1ccccc1OCCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000534653805 334312942 /nfs/dbraw/zinc/31/29/42/334312942.db2.gz JJSWDDQHGBTYKL-GOSISDBHSA-N 1 0 302.418 2.366 50 0 DEAARO C[C@H]([NH2+]CCN(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000025562448 337354778 /nfs/dbraw/zinc/35/47/78/337354778.db2.gz LDIRTDKJPJGEMH-VIFPVBQESA-N 1 0 304.221 2.472 50 0 DEAARO COc1cccc2c1CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)C2 ZINC000408514618 533870764 /nfs/dbraw/zinc/87/07/64/533870764.db2.gz UMYKGWWTLJRHPY-AWEZNQCLSA-N 1 0 312.417 2.198 50 0 DEAARO O=C(c1ccnc(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000408516023 534761967 /nfs/dbraw/zinc/76/19/67/534761967.db2.gz CZHSGBYYYYBMRH-CQSZACIVSA-N 1 0 323.824 2.062 50 0 DEAARO CC(C)(C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000426538390 527078565 /nfs/dbraw/zinc/07/85/65/527078565.db2.gz ORNBRCHOYBAKHN-CQSZACIVSA-N 1 0 319.453 2.173 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000242346868 528108549 /nfs/dbraw/zinc/10/85/49/528108549.db2.gz ZJUHQXQVLAXZSC-IMJJTQAJSA-N 1 0 302.422 2.107 50 0 DEAARO CCO[C@H]1C[N@H+](Cc2ccccc2-n2nc(C)cc2C)C[C@@H]1O ZINC000219485415 563719939 /nfs/dbraw/zinc/71/99/39/563719939.db2.gz FZQHZPZWERBKBG-ROUUACIJSA-N 1 0 315.417 2.071 50 0 DEAARO CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000307913573 625402836 /nfs/dbraw/zinc/40/28/36/625402836.db2.gz ZOQFFTBKELWNIC-LLVKDONJSA-N 1 0 322.352 2.124 50 0 DEAARO COC[C@H]([NH2+][C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 ZINC000888099078 635545983 /nfs/dbraw/zinc/54/59/83/635545983.db2.gz VFEUMHXDQUYLCT-BARDWOONSA-N 1 0 310.438 2.256 50 0 DEAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000012749863 636079856 /nfs/dbraw/zinc/07/98/56/636079856.db2.gz MTJNOPUKMNYIID-GOSISDBHSA-N 1 0 316.445 2.236 50 0 DEAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH+]1CCCC1 ZINC000012704201 683843931 /nfs/dbraw/zinc/84/39/31/683843931.db2.gz XYFNURMDGUEVHD-SFHVURJKSA-N 1 0 308.466 2.406 50 0 DEAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccnc2)C1 ZINC000015070603 683850930 /nfs/dbraw/zinc/85/09/30/683850930.db2.gz XDJASUNHVDAMDB-QGZVFWFLSA-N 1 0 306.406 2.263 50 0 DEAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCc2n[nH]cc2C1 ZINC000095382371 684053000 /nfs/dbraw/zinc/05/30/00/684053000.db2.gz ZTOOJRLVNHCXMO-HNNXBMFYSA-N 1 0 310.401 2.075 50 0 DEAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N(C)C)nc1)C2 ZINC000161936742 684329137 /nfs/dbraw/zinc/32/91/37/684329137.db2.gz LFQPVTMHMUSFHB-OAHLLOKOSA-N 1 0 313.401 2.250 50 0 DEAARO O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000585127538 790322357 /nfs/dbraw/zinc/32/23/57/790322357.db2.gz CPMBFZNUXRXLID-MRVPVSSYSA-N 1 0 302.271 2.163 50 0 DEAARO Cc1nnsc1CNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000199373214 777027745 /nfs/dbraw/zinc/02/77/45/777027745.db2.gz QSOXGBGPSISXOO-UHFFFAOYSA-N 1 0 318.431 2.109 50 0 DEAARO O=C(NCc1nccs1)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000585090938 778824289 /nfs/dbraw/zinc/82/42/89/778824289.db2.gz CJTLWCDMBYEFQE-CYBMUJFWSA-N 1 0 319.405 2.421 50 0 DEAARO Cc1nnc(NCCC[N@@H+]2CCC[C@@H](O)C2)c2ccccc12 ZINC000828627424 783829810 /nfs/dbraw/zinc/82/98/10/783829810.db2.gz VUIQSRBBYKGSFE-CQSZACIVSA-N 1 0 300.406 2.197 50 0 DEAARO O=C(CCC[NH+]1CCCCCC1)NCc1cccc(CO)c1 ZINC000828827569 783861738 /nfs/dbraw/zinc/86/17/38/783861738.db2.gz FMQWZBVKUCLIKW-UHFFFAOYSA-N 1 0 304.434 2.451 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)COCc1ccccc1 ZINC000581813046 784784532 /nfs/dbraw/zinc/78/45/32/784784532.db2.gz OGRRKBNCNAAKMT-UHFFFAOYSA-N 1 0 313.401 2.402 50 0 DEAARO CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](CCC(C)C)CC3 ZINC000581803071 784784672 /nfs/dbraw/zinc/78/46/72/784784672.db2.gz FZHBONFSRXLQHU-CQSZACIVSA-N 1 0 307.438 2.171 50 0 DEAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000581807556 784785929 /nfs/dbraw/zinc/78/59/29/784785929.db2.gz JEINQSWBGIWJIP-CQSZACIVSA-N 1 0 323.400 2.474 50 0 DEAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC000581809368 784786238 /nfs/dbraw/zinc/78/62/38/784786238.db2.gz KFQKPJYIQKYSSC-UHFFFAOYSA-N 1 0 301.394 2.019 50 0 DEAARO Cc1ccc2cc(C[NH2+][C@@H](C)[C@H]3CN(C)CCN3C)ccc2n1 ZINC000952882961 792797588 /nfs/dbraw/zinc/79/75/88/792797588.db2.gz LRISPSWSUZYSDG-HNAYVOBHSA-N 1 0 312.461 2.267 50 0 DEAARO CCOC(=O)[C@H](F)[C@@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC000952964115 792810998 /nfs/dbraw/zinc/81/09/98/792810998.db2.gz POVNOYPUBZOGAG-DGCLKSJQSA-N 1 0 300.399 2.483 50 0 DEAARO Fc1ccc(N2CCC([NH2+]CCc3cn[nH]c3)CC2)cc1F ZINC000952978248 792843229 /nfs/dbraw/zinc/84/32/29/792843229.db2.gz XESSFPVWFRDMKT-UHFFFAOYSA-N 1 0 306.360 2.489 50 0 DEAARO O=C(NCC1CC[NH+](C[C@H]2CCCOC2)CC1)c1ccco1 ZINC000952982428 792860413 /nfs/dbraw/zinc/86/04/13/792860413.db2.gz XCSAKUPGESAPNG-OAHLLOKOSA-N 1 0 306.406 2.148 50 0 DEAARO COc1ccccc1Oc1ccc(NC(=O)[C@@H]([NH3+])[C@@H](C)O)cc1 ZINC000952982273 792860749 /nfs/dbraw/zinc/86/07/49/792860749.db2.gz GCDBJERZMOZDLI-BZNIZROVSA-N 1 0 316.357 2.134 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]CCCO)C(C)(C)[C@@H]21 ZINC000693716649 794515977 /nfs/dbraw/zinc/51/59/77/794515977.db2.gz ZLAFFOUSGJNMMM-MGPQQGTHSA-N 1 0 312.454 2.383 50 0 DEAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2ccnc2)C1(C)C ZINC000404706055 802028266 /nfs/dbraw/zinc/02/82/66/802028266.db2.gz JFUSNEPREFQXDB-STQMWFEESA-N 1 0 308.426 2.165 50 0 DEAARO C[NH+](C)CCc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC001529118223 1070868569 /nfs/dbraw/zinc/86/85/69/1070868569.db2.gz GVGSPPQBJDNXQJ-CMDGGOBGSA-N 1 0 302.403 2.294 50 0 DEAARO C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529190112 1070909646 /nfs/dbraw/zinc/90/96/46/1070909646.db2.gz DWWYCGBCLOQFKP-MPZDIEGVSA-N 1 0 303.362 2.311 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCCc2nnc3ccccn32)n1 ZINC001506398377 1061938392 /nfs/dbraw/zinc/93/83/92/1061938392.db2.gz PUZBPEYCQZRVDH-AWEZNQCLSA-N 1 0 312.421 2.154 50 0 DEAARO CCc1nccn1C[C@H](C)[NH2+]C1CCN(CCSC)CC1 ZINC001506398903 1061940654 /nfs/dbraw/zinc/94/06/54/1061940654.db2.gz HPRMQKIPYMDUAX-AWEZNQCLSA-N 1 0 310.511 2.251 50 0 DEAARO c1ccc(N2CC[C@H]([N@@H+]3CCCN(c4ncccn4)CC3)C2)cc1 ZINC001506412836 1061957858 /nfs/dbraw/zinc/95/78/58/1061957858.db2.gz FFHIDZOIFOIXCM-SFHVURJKSA-N 1 0 323.444 2.268 50 0 DEAARO CCC[NH+]1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 ZINC000074710081 185011011 /nfs/dbraw/zinc/01/10/11/185011011.db2.gz AKIGSUGOEFNZDI-UHFFFAOYSA-N 1 0 311.470 2.245 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCn2nccc2C2CC2)C1 ZINC000095500388 185374781 /nfs/dbraw/zinc/37/47/81/185374781.db2.gz PCJLJRUBZOKAHH-MRXNPFEDSA-N 1 0 318.465 2.387 50 0 DEAARO C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076980853 185062935 /nfs/dbraw/zinc/06/29/35/185062935.db2.gz MHAGFMMWLNMGBY-HIFRSBDPSA-N 1 0 302.422 2.268 50 0 DEAARO CC/C(C)=C/CC[NH+]1CCC(c2nccn2CC(N)=O)CC1 ZINC000095529000 185378438 /nfs/dbraw/zinc/37/84/38/185378438.db2.gz SRZMUDVANDYDQA-LHHJGKSTSA-N 1 0 304.438 2.294 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)C1 ZINC000195570366 282134471 /nfs/dbraw/zinc/13/44/71/282134471.db2.gz ZXNGAGFPNCGSPP-MLGOLLRUSA-N 1 0 305.397 2.406 50 0 DEAARO COc1cc(C2(C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)CC2)ccc1C ZINC000078895108 185123938 /nfs/dbraw/zinc/12/39/38/185123938.db2.gz GRJOWQDFRNPMKM-GOEBONIOSA-N 1 0 316.445 2.444 50 0 DEAARO C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000078932499 185130741 /nfs/dbraw/zinc/13/07/41/185130741.db2.gz FPMCHUIGXNGACX-ZIAGYGMSSA-N 1 0 320.408 2.445 50 0 DEAARO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)nc2)no1 ZINC000078968987 185137172 /nfs/dbraw/zinc/13/71/72/185137172.db2.gz IZRHFJTZLYTEMH-UHFFFAOYSA-N 1 0 308.769 2.492 50 0 DEAARO COC[C@@H](O)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000079014153 185146316 /nfs/dbraw/zinc/14/63/16/185146316.db2.gz BPBDMIMZJZJZQS-LBPRGKRZSA-N 1 0 306.175 2.027 50 0 DEAARO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000079062779 185152137 /nfs/dbraw/zinc/15/21/37/185152137.db2.gz GIOJDLAYDXAROM-OAHLLOKOSA-N 1 0 316.405 2.088 50 0 DEAARO Fc1cc(Cl)cnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000079300524 185163869 /nfs/dbraw/zinc/16/38/69/185163869.db2.gz DEQOYYKPSMDTBL-UHFFFAOYSA-N 1 0 313.804 2.423 50 0 DEAARO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090116004 185282856 /nfs/dbraw/zinc/28/28/56/185282856.db2.gz CYYVANVBRAVMKN-STQMWFEESA-N 1 0 324.494 2.425 50 0 DEAARO c1nnc(C2CC[NH+](CCN3CCCc4ccccc43)CC2)[nH]1 ZINC000090552056 185302893 /nfs/dbraw/zinc/30/28/93/185302893.db2.gz QTOYKWUCZWDBNN-UHFFFAOYSA-N 1 0 311.433 2.437 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000625341556 365737591 /nfs/dbraw/zinc/73/75/91/365737591.db2.gz SGCHLEXHAOBNNW-CHWSQXEVSA-N 1 0 310.467 2.398 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179084202 282237895 /nfs/dbraw/zinc/23/78/95/282237895.db2.gz QAGRIVUKFNOPDL-AWEZNQCLSA-N 1 0 318.808 2.268 50 0 DEAARO CCc1cnc(N)nc1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095391129 185351393 /nfs/dbraw/zinc/35/13/93/185351393.db2.gz FOFTZTRGIWGEJS-AWEZNQCLSA-N 1 0 303.385 2.475 50 0 DEAARO Cc1cc(C[NH2+]C2(CO)CCOCC2)sc1Br ZINC000095420645 185360261 /nfs/dbraw/zinc/36/02/61/185360261.db2.gz OXLXHIICWLDGJF-UHFFFAOYSA-N 1 0 320.252 2.450 50 0 DEAARO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000095410765 185357242 /nfs/dbraw/zinc/35/72/42/185357242.db2.gz VSILUGHFGOPLJV-HOTGVXAUSA-N 1 0 316.449 2.241 50 0 DEAARO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCCCNC1=O ZINC000095435779 185364955 /nfs/dbraw/zinc/36/49/55/185364955.db2.gz MXBRACKGPSNBAJ-LBPRGKRZSA-N 1 0 318.446 2.340 50 0 DEAARO Cc1cnc(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000095442887 185366662 /nfs/dbraw/zinc/36/66/62/185366662.db2.gz CGXJWDOADFGHCU-INIZCTEOSA-N 1 0 315.442 2.296 50 0 DEAARO CS[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1[NH+](C)C ZINC000095444666 185367150 /nfs/dbraw/zinc/36/71/50/185367150.db2.gz FUSQRXDOIVTXDV-HOTGVXAUSA-N 1 0 317.458 2.145 50 0 DEAARO NC(=O)[C@H](C[NH2+]Cc1cccc(F)c1)Cc1ccc(F)cc1 ZINC000095452883 185369408 /nfs/dbraw/zinc/36/94/08/185369408.db2.gz KYPQPKCCELSSHL-AWEZNQCLSA-N 1 0 304.340 2.399 50 0 DEAARO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000095440123 185365947 /nfs/dbraw/zinc/36/59/47/185365947.db2.gz HTJJRTMWWBIOLF-ZDUSSCGKSA-N 1 0 317.286 2.401 50 0 DEAARO C[NH+](C)Cc1ccccc1CN1C(=O)N[C@H](C(C)(C)C)C1=O ZINC000095464568 185371641 /nfs/dbraw/zinc/37/16/41/185371641.db2.gz GWXKBXIKOFCVGK-AWEZNQCLSA-N 1 0 303.406 2.215 50 0 DEAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000246009828 529799395 /nfs/dbraw/zinc/79/93/95/529799395.db2.gz SYQRFBDQJOJZEZ-JFIYKMOQSA-N 1 0 313.445 2.452 50 0 DEAARO C[C@H]([NH3+])[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097020529 185398268 /nfs/dbraw/zinc/39/82/68/185398268.db2.gz MOQSMSPTBHPHDB-TVQRCGJNSA-N 1 0 306.303 2.393 50 0 DEAARO Cn1cc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)cn1 ZINC000081430750 539382387 /nfs/dbraw/zinc/38/23/87/539382387.db2.gz YXPUEMIJCZPVRL-UHFFFAOYSA-N 1 0 310.401 2.219 50 0 DEAARO CCc1nc(C[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)cs1 ZINC000083830334 539390826 /nfs/dbraw/zinc/39/08/26/539390826.db2.gz FAUATVHWJQUYLQ-IAQYHMDHSA-N 1 0 306.435 2.306 50 0 DEAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c[nH]nc2C(C)(C)C)cn1 ZINC000084241067 539393153 /nfs/dbraw/zinc/39/31/53/539393153.db2.gz LUCQWUSFOBWZJY-IUODEOHRSA-N 1 0 317.437 2.308 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)CCN2c3ccccc3CC[C@H]2C)C1 ZINC000178993428 530003752 /nfs/dbraw/zinc/00/37/52/530003752.db2.gz GZHIHHYEUKXUPC-HZPDHXFCSA-N 1 0 315.461 2.286 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000085357802 539400286 /nfs/dbraw/zinc/40/02/86/539400286.db2.gz NCLFDRWXJXSAIO-GXTWGEPZSA-N 1 0 307.825 2.116 50 0 DEAARO CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1noc(C)n1 ZINC000084734867 539398340 /nfs/dbraw/zinc/39/83/40/539398340.db2.gz JXARJVMEXXNSFY-ZDUSSCGKSA-N 1 0 323.441 2.393 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccncc2Cl)CC1 ZINC000083877975 192388864 /nfs/dbraw/zinc/38/88/64/192388864.db2.gz NYQZQNBNHQXRJA-CQSZACIVSA-N 1 0 308.857 2.341 50 0 DEAARO Cc1ccc(CCNC(=O)CC[C@H](C)[NH+]2CCOCC2)s1 ZINC000219367687 539726997 /nfs/dbraw/zinc/72/69/97/539726997.db2.gz BRDUUBYZVJIVOE-ZDUSSCGKSA-N 1 0 310.463 2.216 50 0 DEAARO CC[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cnn(C)c1 ZINC000219389222 539727369 /nfs/dbraw/zinc/72/73/69/539727369.db2.gz MAVVVZSSVUDZJD-OAHLLOKOSA-N 1 0 304.438 2.396 50 0 DEAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1C ZINC000071763912 191027207 /nfs/dbraw/zinc/02/72/07/191027207.db2.gz RXLCRTREDRRERQ-OAHLLOKOSA-N 1 0 304.438 2.107 50 0 DEAARO Cc1nccn1CCN(C)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072144216 191050489 /nfs/dbraw/zinc/05/04/89/191050489.db2.gz HJQMUOOYZFUABU-HNNXBMFYSA-N 1 0 312.417 2.041 50 0 DEAARO CC(C)c1nc2c(cnn2C)c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000072153803 191057080 /nfs/dbraw/zinc/05/70/80/191057080.db2.gz HSKVCNYAKZWGCM-CYBMUJFWSA-N 1 0 314.437 2.161 50 0 DEAARO Cc1nc2c(cnn2C)c(N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000072159309 191062681 /nfs/dbraw/zinc/06/26/81/191062681.db2.gz JWYJVZJVWQJTQR-AWEZNQCLSA-N 1 0 316.453 2.086 50 0 DEAARO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000143035039 186033684 /nfs/dbraw/zinc/03/36/84/186033684.db2.gz LOOSRKSGKTWFHP-AWEZNQCLSA-N 1 0 300.406 2.391 50 0 DEAARO COC(=O)c1cc(C)nc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000072240740 191083800 /nfs/dbraw/zinc/08/38/00/191083800.db2.gz VGBFZCRHJDJKPA-UHFFFAOYSA-N 1 0 318.421 2.026 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000237478219 186295909 /nfs/dbraw/zinc/29/59/09/186295909.db2.gz CXOCZONRUGIRQK-NWDGAFQWSA-N 1 0 316.854 2.229 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1Cl ZINC000253370748 186301990 /nfs/dbraw/zinc/30/19/90/186301990.db2.gz VLMKSEUMIAOHTI-MNOVXSKESA-N 1 0 302.827 2.149 50 0 DEAARO O[C@@]1(CN(Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472813 191174960 /nfs/dbraw/zinc/17/49/60/191174960.db2.gz KHBORCMDYZIKPA-KRWDZBQOSA-N 1 0 317.458 2.260 50 0 DEAARO O[C@]1(CN(Cc2ccsc2)Cc2cccnc2)CCC[NH2+]C1 ZINC000072472814 191176423 /nfs/dbraw/zinc/17/64/23/191176423.db2.gz KHBORCMDYZIKPA-QGZVFWFLSA-N 1 0 317.458 2.260 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072473784 191177611 /nfs/dbraw/zinc/17/76/11/191177611.db2.gz WFCRSCVWSDLMOI-HNNXBMFYSA-N 1 0 305.470 2.389 50 0 DEAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000333228571 539952447 /nfs/dbraw/zinc/95/24/47/539952447.db2.gz BLZZMKDYDDBHCB-QSPRXWTASA-N 1 0 302.418 2.411 50 0 DEAARO O=S(=O)(c1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000000859033 180835683 /nfs/dbraw/zinc/83/56/83/180835683.db2.gz NUDQTTKFEVWVEU-UHFFFAOYSA-N 1 0 312.410 2.075 50 0 aggregator DEAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1C1CC1 ZINC000003510294 181028438 /nfs/dbraw/zinc/02/84/38/181028438.db2.gz KZOJADBWAIIGOZ-UHFFFAOYSA-N 1 0 317.418 2.369 50 0 DEAARO C[NH+](C)CCCNC(=O)c1cc(C(=O)c2ccccc2F)c[nH]1 ZINC000004085185 181070996 /nfs/dbraw/zinc/07/09/96/181070996.db2.gz QWWOJJFRTUQKAV-UHFFFAOYSA-N 1 0 317.364 2.066 50 0 DEAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000004173786 181081622 /nfs/dbraw/zinc/08/16/22/181081622.db2.gz BJOXFBGLRLTGIJ-KBPBESRZSA-N 1 0 307.390 2.420 50 0 DEAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)N1CCOCC1 ZINC000036098494 354163786 /nfs/dbraw/zinc/16/37/86/354163786.db2.gz DPSYPASKBCEVQC-INIZCTEOSA-N 1 0 321.396 2.004 50 0 DEAARO COc1cccc(OC)c1OC[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000004337769 181099812 /nfs/dbraw/zinc/09/98/12/181099812.db2.gz ZFYZNUCKNAWSDJ-KGLIPLIRSA-N 1 0 309.406 2.487 50 0 DEAARO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066497236 354719904 /nfs/dbraw/zinc/71/99/04/354719904.db2.gz VREGBTOHCPMNFJ-GJZGRUSLSA-N 1 0 300.468 2.135 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccncc2Cl)C1 ZINC000075029731 355064872 /nfs/dbraw/zinc/06/48/72/355064872.db2.gz KFUPMFDFENCFQH-GFCCVEGCSA-N 1 0 312.797 2.249 50 0 DEAARO O=c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc[nH]1 ZINC000075552032 355092330 /nfs/dbraw/zinc/09/23/30/355092330.db2.gz RSZQOYYROLOBCR-UHFFFAOYSA-N 1 0 303.793 2.351 50 0 DEAARO CCOc1ccc(Cl)c(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000078896509 355284262 /nfs/dbraw/zinc/28/42/62/355284262.db2.gz QIMYWNATLFJALR-JQWIXIFHSA-N 1 0 311.813 2.156 50 0 DEAARO O=C1CCCN1C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000097230636 355703004 /nfs/dbraw/zinc/70/30/04/355703004.db2.gz NDNDPYLPTZCMGM-WBVHZDCISA-N 1 0 302.418 2.366 50 0 DEAARO CC(C)OC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000097228758 355703065 /nfs/dbraw/zinc/70/30/65/355703065.db2.gz GLVNZRGYBUMWCB-HOTGVXAUSA-N 1 0 324.440 2.290 50 0 DEAARO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1cccc(C)c1)CC2 ZINC000169782463 355982612 /nfs/dbraw/zinc/98/26/12/355982612.db2.gz QDDNBVAZBIRAOK-QGZVFWFLSA-N 1 0 316.445 2.425 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)c2ccncc2)C1)C1CCOCC1 ZINC000169791769 355985142 /nfs/dbraw/zinc/98/51/42/355985142.db2.gz POOPJSDMPBYDKO-UHFFFAOYSA-N 1 0 317.433 2.043 50 0 DEAARO Cc1nc(CSCC(=O)NCC[C@@H]2CCC[NH2+]C2)cs1 ZINC000170676953 355991301 /nfs/dbraw/zinc/99/13/01/355991301.db2.gz BJVWEBXGGYUPEH-LBPRGKRZSA-N 1 0 313.492 2.191 50 0 DEAARO C[C@@]1(O)CCCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181528039 356084513 /nfs/dbraw/zinc/08/45/13/356084513.db2.gz ANOHFMVOPDKFHY-OAHLLOKOSA-N 1 0 324.787 2.407 50 0 DEAARO COC1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000080152786 192006390 /nfs/dbraw/zinc/00/63/90/192006390.db2.gz GBZJXYOFXWSGBL-HZPDHXFCSA-N 1 0 323.481 2.365 50 0 DEAARO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000192186358 356220309 /nfs/dbraw/zinc/22/03/09/356220309.db2.gz KYMGIPGVMZLNHN-SFHVURJKSA-N 1 0 312.417 2.411 50 0 DEAARO COc1ccc(OC)c(CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000195543181 356256097 /nfs/dbraw/zinc/25/60/97/356256097.db2.gz BGEYVNRPIDZXST-JSGCOSHPSA-N 1 0 318.417 2.322 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000195544591 356256329 /nfs/dbraw/zinc/25/63/29/356256329.db2.gz CZGMKRKQSFLHSD-FZMZJTMJSA-N 1 0 316.854 2.277 50 0 DEAARO O[C@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000229478296 356282175 /nfs/dbraw/zinc/28/21/75/356282175.db2.gz HOSLHWVYLLVHRN-MLGOLLRUSA-N 1 0 322.359 2.002 50 0 DEAARO COC(=O)[C@H](O)C1CCN(Cc2cc(Cl)cs2)CC1 ZINC000194434691 356239401 /nfs/dbraw/zinc/23/94/01/356239401.db2.gz WWGVLUHWPKQNQD-GFCCVEGCSA-N 1 0 303.811 2.147 50 0 DEAARO CC(C)[N@H+](C)CC(=O)N1CCC(COc2ccccn2)CC1 ZINC000081445771 192267862 /nfs/dbraw/zinc/26/78/62/192267862.db2.gz JQBROFZHMQCANE-UHFFFAOYSA-N 1 0 305.422 2.039 50 0 DEAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@H]1CCO ZINC000585094454 540256525 /nfs/dbraw/zinc/25/65/25/540256525.db2.gz HFNPBAWLVXABQS-WBMJQRKESA-N 1 0 323.412 2.219 50 0 DEAARO COc1cc(C[NH2+]CC2(O)CCOCC2)ccc1OC(C)C ZINC000237133728 202162062 /nfs/dbraw/zinc/16/20/62/202162062.db2.gz RMBUJFZKQYFMHW-UHFFFAOYSA-N 1 0 309.406 2.114 50 0 DEAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000409420410 356736030 /nfs/dbraw/zinc/73/60/30/356736030.db2.gz QNKKGLDPNUFWOD-QGZVFWFLSA-N 1 0 323.408 2.348 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000237162534 202172260 /nfs/dbraw/zinc/17/22/60/202172260.db2.gz DOJVZSHNRGUSJR-GOSISDBHSA-N 1 0 301.434 2.245 50 0 DEAARO CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237169772 202174753 /nfs/dbraw/zinc/17/47/53/202174753.db2.gz HBCXIVLUWUZFIL-NSHDSACASA-N 1 0 302.296 2.296 50 0 DEAARO Cc1cc2c(cc1C)O[C@H](C(=O)N(C)C1CCC([NH3+])CC1)C2 ZINC000237225858 202195714 /nfs/dbraw/zinc/19/57/14/202195714.db2.gz SHKRQOCRVHKXOZ-DQPZFDDXSA-N 1 0 302.418 2.335 50 0 DEAARO CCCCC[C@@]1(C(=O)OCC)C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000005846644 181289396 /nfs/dbraw/zinc/28/93/96/181289396.db2.gz ZZDUENIWLHLXCW-HZMBPMFUSA-N 1 0 316.423 2.058 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000237260739 202207474 /nfs/dbraw/zinc/20/74/74/202207474.db2.gz DENNTYQFAXFDOQ-CYBMUJFWSA-N 1 0 302.353 2.040 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc2[nH]cnc2c1 ZINC000584890192 357327302 /nfs/dbraw/zinc/32/73/02/357327302.db2.gz NTAQVTKFWUFDFE-CQSZACIVSA-N 1 0 300.406 2.444 50 0 DEAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCCn1ccnc1 ZINC000005862979 181291104 /nfs/dbraw/zinc/29/11/04/181291104.db2.gz TXQYAUAFXZOSLW-MRXNPFEDSA-N 1 0 317.433 2.426 50 0 DEAARO COc1cc(F)c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000237296889 202221139 /nfs/dbraw/zinc/22/11/39/202221139.db2.gz QPAGVQFSAMJHDT-MFKMUULPSA-N 1 0 310.369 2.042 50 0 DEAARO COc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C[NH3+])cs1 ZINC000237349729 202240425 /nfs/dbraw/zinc/24/04/25/202240425.db2.gz STRRTILXEOUOSU-LLVKDONJSA-N 1 0 317.414 2.382 50 0 DEAARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)nn1-c1ccccc1 ZINC000237360436 202243460 /nfs/dbraw/zinc/24/34/60/202243460.db2.gz RHBHERLYGLHXKE-CABCVRRESA-N 1 0 312.417 2.380 50 0 DEAARO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237547474 202277222 /nfs/dbraw/zinc/27/72/22/202277222.db2.gz RRSKRWJWRJRGCQ-MAUKXSAKSA-N 1 0 311.429 2.151 50 0 DEAARO C[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000237591473 202295129 /nfs/dbraw/zinc/29/51/29/202295129.db2.gz FXJMWOFXXHPDLZ-NSHDSACASA-N 1 0 316.323 2.338 50 0 DEAARO C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)[C@@H]1C[NH3+] ZINC000237641039 202313402 /nfs/dbraw/zinc/31/34/02/202313402.db2.gz NKUHRIJPJKYWSE-GXFFZTMASA-N 1 0 304.419 2.338 50 0 DEAARO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(Cl)cc1F ZINC000237788823 202356083 /nfs/dbraw/zinc/35/60/83/202356083.db2.gz PEKYKPHUGXVYKO-SNVBAGLBSA-N 1 0 320.817 2.065 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000237869751 202373704 /nfs/dbraw/zinc/37/37/04/202373704.db2.gz JLYRWVUQRCZWFK-OAHLLOKOSA-N 1 0 308.809 2.319 50 0 DEAARO Cc1n[nH]c(C)c1CNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000670441814 540933807 /nfs/dbraw/zinc/93/38/07/540933807.db2.gz KUYNUHVZGFICIY-UHFFFAOYSA-N 1 0 304.438 2.441 50 0 DEAARO COc1cccc([C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194036446 201167510 /nfs/dbraw/zinc/16/75/10/201167510.db2.gz WKNZECROGJZJDW-QBPKDAKJSA-N 1 0 303.402 2.276 50 0 DEAARO CC[NH+](CC)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000006435801 181340963 /nfs/dbraw/zinc/34/09/63/181340963.db2.gz LSCVTZDTWUJEHP-UHFFFAOYSA-N 1 0 310.463 2.186 50 0 DEAARO CCOc1cc(NC2CC[NH+](C[C@@H]3CCC=CO3)CC2)ncn1 ZINC000194708511 201275014 /nfs/dbraw/zinc/27/50/14/201275014.db2.gz AVKIDWUDTLCIRJ-HNNXBMFYSA-N 1 0 318.421 2.444 50 0 DEAARO CC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000006730805 181379043 /nfs/dbraw/zinc/37/90/43/181379043.db2.gz LDPDMGIURGSNBF-UHFFFAOYSA-N 1 0 307.394 2.310 50 0 DEAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)cc(=O)c2c1 ZINC000091620029 193079781 /nfs/dbraw/zinc/07/97/81/193079781.db2.gz DBCXLSPXGHGKCR-RISCZKNCSA-N 1 0 311.385 2.414 50 0 DEAARO Cc1nnc(SCCCNc2nc(N)[nH+]c(C)c2C)s1 ZINC000091602858 193078643 /nfs/dbraw/zinc/07/86/43/193078643.db2.gz IMIVVLILHUJWIF-UHFFFAOYSA-N 1 0 310.452 2.430 50 0 DEAARO Cc1cc(C[C@@H](C)[NH2+]Cc2cc(=O)c3cccc(F)c3[nH]2)[nH]n1 ZINC000091475727 193061426 /nfs/dbraw/zinc/06/14/26/193061426.db2.gz PPUADYZIGCOYOF-SNVBAGLBSA-N 1 0 314.364 2.420 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CN(C)c2ccccc2)C1 ZINC000091657033 193085902 /nfs/dbraw/zinc/08/59/02/193085902.db2.gz ZTCJIVRRLXEVPO-OAHLLOKOSA-N 1 0 301.434 2.208 50 0 DEAARO CC(C)(O)CCc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091737119 193099308 /nfs/dbraw/zinc/09/93/08/193099308.db2.gz QXHQHGDRGQOIIG-SJORKVTESA-N 1 0 316.445 2.199 50 0 DEAARO C[N@@H+]1C[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]1CO ZINC000219197235 201550799 /nfs/dbraw/zinc/55/07/99/201550799.db2.gz SINRXEFGHPEWII-MOPGFXCFSA-N 1 0 324.424 2.077 50 0 DEAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1ncc(F)cc1F ZINC000222467619 201611745 /nfs/dbraw/zinc/61/17/45/201611745.db2.gz QURYUNNZZRUHKL-UHFFFAOYSA-N 1 0 309.360 2.498 50 0 DEAARO C[NH+](C)CCCNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000096192882 193571445 /nfs/dbraw/zinc/57/14/45/193571445.db2.gz OETDHHJWYOPLGP-INIZCTEOSA-N 1 0 323.824 2.291 50 0 DEAARO CC(=O)N1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000012742143 181791273 /nfs/dbraw/zinc/79/12/73/181791273.db2.gz XKLAWVWOWOBTRV-UHFFFAOYSA-N 1 0 310.781 2.169 50 0 DEAARO CCNC(=O)[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000015594029 182008804 /nfs/dbraw/zinc/00/88/04/182008804.db2.gz MSGOKFDFZAUTTH-GFCCVEGCSA-N 1 0 318.396 2.242 50 0 DEAARO Cc1ccc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cn1 ZINC000019607196 182132902 /nfs/dbraw/zinc/13/29/02/182132902.db2.gz ZTYZVHLOSBBBOG-UHFFFAOYSA-N 1 0 307.357 2.456 50 0 DEAARO CC(=O)c1cccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000019791152 182149319 /nfs/dbraw/zinc/14/93/19/182149319.db2.gz HENNNNYYTVSMEH-IBGZPJMESA-N 1 0 318.461 2.414 50 0 DEAARO CN(Cc1nccn1C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019952517 182169460 /nfs/dbraw/zinc/16/94/60/182169460.db2.gz YOCGGXLGQOIZPZ-GOSISDBHSA-N 1 0 324.472 2.484 50 0 DEAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1F)C[C@@H]1COCCO1 ZINC000020205601 182197778 /nfs/dbraw/zinc/19/77/78/182197778.db2.gz ISPUFHSHVDBTPZ-CYBMUJFWSA-N 1 0 323.343 2.202 50 0 DEAARO CCOc1ccc(C[NH2+]CCN(C)C)cc1Br ZINC000020477630 182221480 /nfs/dbraw/zinc/22/14/80/182221480.db2.gz NLFGCSOUZKXVLR-UHFFFAOYSA-N 1 0 301.228 2.499 50 0 DEAARO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN2CC)c1 ZINC000022038710 182305237 /nfs/dbraw/zinc/30/52/37/182305237.db2.gz QVEYJYLYMHELRN-SJORKVTESA-N 1 0 306.450 2.063 50 0 DEAARO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1)c1cccs1 ZINC000022029656 182305517 /nfs/dbraw/zinc/30/55/17/182305517.db2.gz ZUTTXFHZQYLQCD-HOCLYGCPSA-N 1 0 320.458 2.380 50 0 DEAARO OCC[NH2+]CCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000023263514 182354520 /nfs/dbraw/zinc/35/45/20/182354520.db2.gz QTYLDSBXZVEWQC-UHFFFAOYSA-N 1 0 318.392 2.076 50 0 DEAARO COCc1cn(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nn1 ZINC000023479230 182362572 /nfs/dbraw/zinc/36/25/72/182362572.db2.gz KPFWCOQXCMCTGU-HNNXBMFYSA-N 1 0 318.396 2.476 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc2c1OCO2 ZINC000039408748 183018084 /nfs/dbraw/zinc/01/80/84/183018084.db2.gz GSPDPXFEAVMOBG-JSGCOSHPSA-N 1 0 304.390 2.092 50 0 DEAARO CC(C)c1noc(CCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000040534862 183095105 /nfs/dbraw/zinc/09/51/05/183095105.db2.gz RROLNZVIBPUCJG-ZIAGYGMSSA-N 1 0 320.437 2.259 50 0 DEAARO COC(=O)CC[NH+](CCC(=O)OC)Cc1ccc(Cl)cc1 ZINC000041566735 183203989 /nfs/dbraw/zinc/20/39/89/183203989.db2.gz HZXHLOOFNAONOF-UHFFFAOYSA-N 1 0 313.781 2.268 50 0 DEAARO Cc1ccccc1C[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000041625964 183211749 /nfs/dbraw/zinc/21/17/49/183211749.db2.gz NNVQMGBPXQPHPD-UHFFFAOYSA-N 1 0 303.406 2.147 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000042854839 183314317 /nfs/dbraw/zinc/31/43/17/183314317.db2.gz HZBILYCNNBZZLL-ZDUSSCGKSA-N 1 0 316.323 2.386 50 0 DEAARO Ic1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773918 183306928 /nfs/dbraw/zinc/30/69/28/183306928.db2.gz FRDZEUKJVXEXBD-LLVKDONJSA-N 1 0 317.170 2.417 50 0 DEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1nccs1 ZINC000043160555 183342256 /nfs/dbraw/zinc/34/22/56/183342256.db2.gz DEDWHPBHHNQLSC-UHFFFAOYSA-N 1 0 302.403 2.323 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000043577695 183372519 /nfs/dbraw/zinc/37/25/19/183372519.db2.gz VCNKZXFYJNIVEH-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO Cc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000043412266 183361163 /nfs/dbraw/zinc/36/11/63/183361163.db2.gz CPBBPSOWTWBFFC-ZDUSSCGKSA-N 1 0 317.418 2.243 50 0 DEAARO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)[C@H](C)n1cccn1 ZINC000106668620 194241670 /nfs/dbraw/zinc/24/16/70/194241670.db2.gz FNCIOKIICZUBDG-GRDNDAEWSA-N 1 0 312.417 2.442 50 0 DEAARO Cn1cc(C(=O)Nc2ccc3c(ccn3CC[NH+](C)C)c2)cn1 ZINC000051434492 183827067 /nfs/dbraw/zinc/82/70/67/183827067.db2.gz BRKMTVFCIUFDAM-UHFFFAOYSA-N 1 0 311.389 2.189 50 0 DEAARO O=C1NCCN1C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000052216406 183854972 /nfs/dbraw/zinc/85/49/72/183854972.db2.gz CBDNCWJJEPPPKD-UHFFFAOYSA-N 1 0 321.396 2.084 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000053202512 183892195 /nfs/dbraw/zinc/89/21/95/183892195.db2.gz VRVLZPCQXMZTKO-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO CC[NH+](CC)CCNC(=O)CCn1ncc2c1cccc2C ZINC000057280369 184031564 /nfs/dbraw/zinc/03/15/64/184031564.db2.gz YSLHQDSCYUWYNM-UHFFFAOYSA-N 1 0 302.422 2.193 50 0 DEAARO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOC(C)(C)C ZINC000057843657 184056953 /nfs/dbraw/zinc/05/69/53/184056953.db2.gz VLMLQUAVFBFUKJ-LBPRGKRZSA-N 1 0 314.451 2.142 50 0 DEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1nccs1 ZINC000058141459 184080393 /nfs/dbraw/zinc/08/03/93/184080393.db2.gz OMERGGOUXKXYRG-UHFFFAOYSA-N 1 0 320.418 2.444 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)Nc2ccccc2F)CC1 ZINC000058390814 184111334 /nfs/dbraw/zinc/11/13/34/184111334.db2.gz YORVSTGLSSZKTE-UHFFFAOYSA-N 1 0 309.385 2.402 50 0 DEAARO COc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(C)nn1C ZINC000058305239 184103352 /nfs/dbraw/zinc/10/33/52/184103352.db2.gz VLCODDTXRLLNDL-MRXNPFEDSA-N 1 0 314.433 2.101 50 0 DEAARO NC(=O)[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000058343754 184107001 /nfs/dbraw/zinc/10/70/01/184107001.db2.gz LNTWTFCEVAJQCD-SFHVURJKSA-N 1 0 320.396 2.231 50 0 DEAARO Cn1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(-c2ccncc2)n1 ZINC000060062150 184144209 /nfs/dbraw/zinc/14/42/09/184144209.db2.gz SRPJZUGLBXONQW-PKOBYXMFSA-N 1 0 320.396 2.230 50 0 DEAARO C[C@H](CNC(=O)c1ccn(-c2ccccc2Cl)n1)[NH+](C)C ZINC000065099035 184310722 /nfs/dbraw/zinc/31/07/22/184310722.db2.gz MRHLADMDLCFPTE-LLVKDONJSA-N 1 0 306.797 2.206 50 0 DEAARO COc1ccc(CC[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000065386830 184334200 /nfs/dbraw/zinc/33/42/00/184334200.db2.gz BTEZLRLQACBABS-OAHLLOKOSA-N 1 0 304.434 2.476 50 0 DEAARO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000065287942 184322753 /nfs/dbraw/zinc/32/27/53/184322753.db2.gz PYBAUFBMQOLCTN-AWEZNQCLSA-N 1 0 302.426 2.281 50 0 DEAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+]CCCn2ccnc2)cc1 ZINC000065371117 184329855 /nfs/dbraw/zinc/32/98/55/184329855.db2.gz YWOPWHOFAKADJR-OAHLLOKOSA-N 1 0 300.406 2.049 50 0 DEAARO Cc1cc(C)n(CCC[N@@H+](C)[C@H](C)C(=O)NC2CCCC2)n1 ZINC000065372685 184330706 /nfs/dbraw/zinc/33/07/06/184330706.db2.gz AMHZHOGLGLRYIV-OAHLLOKOSA-N 1 0 306.454 2.269 50 0 DEAARO O=C(CC[NH2+]CCCn1ccnc1)NC1CCCCCCC1 ZINC000065433286 184344310 /nfs/dbraw/zinc/34/43/10/184344310.db2.gz ONNVUHJIOYVGIU-UHFFFAOYSA-N 1 0 306.454 2.482 50 0 DEAARO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)n1 ZINC000065487617 184353106 /nfs/dbraw/zinc/35/31/06/184353106.db2.gz WZYZLHPCJBWWAG-MRXNPFEDSA-N 1 0 312.417 2.023 50 0 DEAARO O=C1NCCCc2nc(C[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000065398533 184336562 /nfs/dbraw/zinc/33/65/62/184336562.db2.gz FCZRUWKZEGVAIV-OAHLLOKOSA-N 1 0 324.428 2.150 50 0 DEAARO CC(C)[C@@H](C(=O)NCc1ccccc1-n1cccn1)[NH+](C)C ZINC000065576063 184368156 /nfs/dbraw/zinc/36/81/56/184368156.db2.gz UGZOQFKKKOTTEG-INIZCTEOSA-N 1 0 300.406 2.075 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)NCc2cccnc2)[NH+](C)C)cc1 ZINC000065625846 184375370 /nfs/dbraw/zinc/37/53/70/184375370.db2.gz NLMNRQLFHIRNFQ-QGZVFWFLSA-N 1 0 312.417 2.492 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000299739603 532984403 /nfs/dbraw/zinc/98/44/03/532984403.db2.gz QNXXBOXPEVRLNY-GRYCIOLGSA-N 1 0 312.360 2.318 50 0 DEAARO C[C@H]([NH2+]CCNS(C)(=O)=O)c1cccc(Cl)c1Cl ZINC000158244015 197256391 /nfs/dbraw/zinc/25/63/91/197256391.db2.gz OVKYVAKOVGDEKB-QMMMGPOBSA-N 1 0 311.234 2.193 50 0 DEAARO Cc1cc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc(N)[nH+]1 ZINC000054055988 291935975 /nfs/dbraw/zinc/93/59/75/291935975.db2.gz UEGASLFKIWSSIZ-LBPRGKRZSA-N 1 0 313.409 2.027 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000237491283 257238505 /nfs/dbraw/zinc/23/85/05/257238505.db2.gz SQPLIOVJFSDUSX-ZFWWWQNUSA-N 1 0 318.417 2.119 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237619630 257238507 /nfs/dbraw/zinc/23/85/07/257238507.db2.gz FUVGGPUSVHNIFO-BLLLJJGKSA-N 1 0 311.385 2.198 50 0 DEAARO CC(C)(C[NH2+]Cc1c[nH]nc1-c1ccccc1)N1CCOCC1 ZINC000071839146 184863974 /nfs/dbraw/zinc/86/39/74/184863974.db2.gz FJRLIHZULCKHQC-UHFFFAOYSA-N 1 0 314.433 2.277 50 0 DEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000071914465 184903329 /nfs/dbraw/zinc/90/33/29/184903329.db2.gz MAEUXEAGPCCOIF-GFCCVEGCSA-N 1 0 324.371 2.196 50 0 DEAARO CC[NH+]1CCC(Nc2cncc(-n3nc(C)cc3C)n2)CC1 ZINC000071924475 184907632 /nfs/dbraw/zinc/90/76/32/184907632.db2.gz MACBWWCOLASCCZ-UHFFFAOYSA-N 1 0 300.410 2.175 50 0 DEAARO Cc1cc2nc(C(C)C)cc(NC[C@@H](O)C[NH+]3CCCC3)n2n1 ZINC000072419908 292022742 /nfs/dbraw/zinc/02/27/42/292022742.db2.gz HMGGHOGUDFLHGI-CQSZACIVSA-N 1 0 317.437 2.030 50 0 DEAARO O=C(NC[C@H]1CCC[NH2+]1)c1occc1COc1ccccc1 ZINC000178772588 144865249 /nfs/dbraw/zinc/86/52/49/144865249.db2.gz YYHXZGQVZQESEB-CQSZACIVSA-N 1 0 300.358 2.340 50 0 DEAARO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@@H]1CCCO1 ZINC000346834224 146150402 /nfs/dbraw/zinc/15/04/02/146150402.db2.gz NWZAAPWDUKKEPO-XKQJLSEDSA-N 1 0 317.433 2.116 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CO)cc1 ZINC000185579173 292185792 /nfs/dbraw/zinc/18/57/92/292185792.db2.gz WUQYTLBGOOQQMI-NUEKZKHPSA-N 1 0 311.447 2.050 50 0 DEAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000002921343 401720125 /nfs/dbraw/zinc/72/01/25/401720125.db2.gz TVGHURZWOAYNKV-SECBINFHSA-N 1 0 305.205 2.439 50 0 DEAARO Cc1ncc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000071859758 401688794 /nfs/dbraw/zinc/68/87/94/401688794.db2.gz JKLWMBIMZPFYRP-CYBMUJFWSA-N 1 0 303.435 2.342 50 0 DEAARO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000071859803 401688865 /nfs/dbraw/zinc/68/88/65/401688865.db2.gz HYZBKGNIVPGGPS-OAHLLOKOSA-N 1 0 315.421 2.491 50 0 DEAARO COc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000195376 401690314 /nfs/dbraw/zinc/69/03/14/401690314.db2.gz FVHRFKVYLCTNKI-UHFFFAOYSA-N 1 0 320.433 2.499 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)Cn1cc(C)cn1 ZINC000071874964 401690498 /nfs/dbraw/zinc/69/04/98/401690498.db2.gz CDTYKZBRRZXWQT-GDBMZVCRSA-N 1 0 303.406 2.220 50 0 DEAARO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000071885773 401692131 /nfs/dbraw/zinc/69/21/31/401692131.db2.gz YPKDONFLSZKUDZ-ROUUACIJSA-N 1 0 324.428 2.171 50 0 DEAARO CCCSCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000071893346 401693377 /nfs/dbraw/zinc/69/33/77/401693377.db2.gz ZQOHVZIFSDNJME-UHFFFAOYSA-N 1 0 314.495 2.281 50 0 DEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000071914463 401697031 /nfs/dbraw/zinc/69/70/31/401697031.db2.gz UHQWVJPVGFCZBI-GFCCVEGCSA-N 1 0 324.371 2.196 50 0 DEAARO CCNC(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000072032405 401701531 /nfs/dbraw/zinc/70/15/31/401701531.db2.gz MFDWGOGBGBJEDY-UHFFFAOYSA-N 1 0 315.417 2.492 50 0 DEAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000072165478 401703307 /nfs/dbraw/zinc/70/33/07/401703307.db2.gz OFPYNMRHCBNQIB-LVEBTZEWSA-N 1 0 318.417 2.285 50 0 DEAARO CCOCC[NH+]1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O ZINC000072146043 401703660 /nfs/dbraw/zinc/70/36/60/401703660.db2.gz VZSKMPRVCXQHEM-SJORKVTESA-N 1 0 305.418 2.119 50 0 DEAARO O=C(N[C@H]1CCc2nccn2C1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255118 401704121 /nfs/dbraw/zinc/70/41/21/401704121.db2.gz PYOZJMPLVYQFRS-FUHWJXTLSA-N 1 0 324.428 2.151 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000072268846 401704704 /nfs/dbraw/zinc/70/47/04/401704704.db2.gz VEJAKVSKFSXGRP-GJZGRUSLSA-N 1 0 324.856 2.357 50 0 DEAARO C[C@H](C[NH+]1CCCCC1)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000001309989 401705226 /nfs/dbraw/zinc/70/52/26/401705226.db2.gz NNCGNPRKCLJWQT-CJNGLKHVSA-N 1 0 305.374 2.244 50 0 DEAARO CC[C@@H]1CN(CCOc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000072279685 401706001 /nfs/dbraw/zinc/70/60/01/401706001.db2.gz APCWNYMKOGNEBH-IAGOWNOFSA-N 1 0 306.450 2.151 50 0 DEAARO Cc1nc([C@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)no1 ZINC000072284679 401706291 /nfs/dbraw/zinc/70/62/91/401706291.db2.gz HZUXPSCLEYQOGK-ZFWWWQNUSA-N 1 0 320.437 2.349 50 0 DEAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CC(C)C)C2=O)cc1 ZINC000001843749 401711088 /nfs/dbraw/zinc/71/10/88/401711088.db2.gz MSJNRQSHRHFQFE-HNNXBMFYSA-N 1 0 304.390 2.353 50 0 DEAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000002641372 401715764 /nfs/dbraw/zinc/71/57/64/401715764.db2.gz QIHCCTRPRWSWMI-UHFFFAOYSA-N 1 0 310.872 2.268 50 0 DEAARO CC[NH+](CC)CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000009190847 401759750 /nfs/dbraw/zinc/75/97/50/401759750.db2.gz SBRTYMXVIQMVBT-UHFFFAOYSA-N 1 0 318.870 2.491 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000009483988 401762623 /nfs/dbraw/zinc/76/26/23/401762623.db2.gz HGGAARQHRLEHJW-CHWSQXEVSA-N 1 0 304.390 2.009 50 0 DEAARO Cc1ccc(N2CCC[C@H]([NH+]3CCC(CO)CC3)C2=O)cc1 ZINC000075626499 401764879 /nfs/dbraw/zinc/76/48/79/401764879.db2.gz ICWIWDULNQYTJU-KRWDZBQOSA-N 1 0 302.418 2.195 50 0 DEAARO CCC[N@H+](C[C@@H](O)COc1ccc(C(=O)OC)cc1)CC1CC1 ZINC000009863809 401766208 /nfs/dbraw/zinc/76/62/08/401766208.db2.gz UOZMCRBOZGDPQA-MRXNPFEDSA-N 1 0 321.417 2.335 50 0 DEAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000075928692 401773666 /nfs/dbraw/zinc/77/36/66/401773666.db2.gz YURJIMCTRRHGFY-ZDUSSCGKSA-N 1 0 315.339 2.015 50 0 DEAARO CCO[C@H](C)c1noc(CN2CC[NH+](CC3CCCC3)CC2)n1 ZINC000075916086 401773931 /nfs/dbraw/zinc/77/39/31/401773931.db2.gz VTRRNHDHXZVPDN-CQSZACIVSA-N 1 0 322.453 2.475 50 0 DEAARO C[N@H+](C[C@@]1(O)CCCN(CC2CCC2)C1=O)C1CCCCC1 ZINC000011878543 401777334 /nfs/dbraw/zinc/77/73/34/401777334.db2.gz ZYKCRZBDZKMWOF-SFHVURJKSA-N 1 0 308.466 2.405 50 0 DEAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccnc2)C1 ZINC000076067771 401780513 /nfs/dbraw/zinc/78/05/13/401780513.db2.gz CIETUICBKGCLBI-HUUCEWRRSA-N 1 0 307.463 2.304 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)s1 ZINC000012441452 401785741 /nfs/dbraw/zinc/78/57/41/401785741.db2.gz RZGYWAJSZUFBPB-UHFFFAOYSA-N 1 0 316.492 2.455 50 0 DEAARO COc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012952576 401794090 /nfs/dbraw/zinc/79/40/90/401794090.db2.gz NULPXDYLVXUAGC-UHFFFAOYSA-N 1 0 317.433 2.465 50 0 DEAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCN3CCOC3=O)C2)cc1 ZINC000076394092 401794375 /nfs/dbraw/zinc/79/43/75/401794375.db2.gz BMUVZYNYYFUUJU-DZGCQCFKSA-N 1 0 304.390 2.325 50 0 DEAARO CCOC(=O)CCN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000020123471 401822762 /nfs/dbraw/zinc/82/27/62/401822762.db2.gz OKQGSGYIVICWTO-UHFFFAOYSA-N 1 0 320.477 2.382 50 0 DEAARO CC[NH+](CC)CCN1CNC(=S)N(c2ccc(C)cc2)C1 ZINC000020190430 401823644 /nfs/dbraw/zinc/82/36/44/401823644.db2.gz YMEZZPQSZVAGAV-UHFFFAOYSA-N 1 0 306.479 2.248 50 0 DEAARO CC(C)[NH+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000025136878 401831513 /nfs/dbraw/zinc/83/15/13/401831513.db2.gz XAMIVLQASQPMJI-UHFFFAOYSA-N 1 0 300.406 2.048 50 0 DEAARO Cc1cnc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000025461172 401834636 /nfs/dbraw/zinc/83/46/36/401834636.db2.gz ZBVVGXFATYEMTF-UHFFFAOYSA-N 1 0 324.428 2.352 50 0 DEAARO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCCc2ccccc21 ZINC000026905083 401842851 /nfs/dbraw/zinc/84/28/51/401842851.db2.gz BFYNYPUFRZIJAG-OAHLLOKOSA-N 1 0 315.417 2.326 50 0 DEAARO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000078551281 401855648 /nfs/dbraw/zinc/85/56/48/401855648.db2.gz UFQSASWPTHDADM-CYBMUJFWSA-N 1 0 312.410 2.121 50 0 DEAARO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccccc1 ZINC000030657858 401864783 /nfs/dbraw/zinc/86/47/83/401864783.db2.gz KSLZRDRJQCNXMP-UHFFFAOYSA-N 1 0 304.415 2.227 50 0 DEAARO COc1ccc(OC)c(C[NH2+]Cc2ccnc(N(C)C)c2)c1 ZINC000030903123 401866516 /nfs/dbraw/zinc/86/65/16/401866516.db2.gz HVZDVFWRTKYGKJ-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CC(C)c1nccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000077394195 401814143 /nfs/dbraw/zinc/81/41/43/401814143.db2.gz OXBHZPGCIFATFU-QGZVFWFLSA-N 1 0 318.465 2.287 50 0 DEAARO CCC[NH+]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000032611552 401880543 /nfs/dbraw/zinc/88/05/43/401880543.db2.gz IETFMRXMJNURRG-UHFFFAOYSA-N 1 0 312.417 2.099 50 0 DEAARO C[NH+](C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccsc1 ZINC000032816920 401883837 /nfs/dbraw/zinc/88/38/37/401883837.db2.gz CVJJQOSOJNFNDH-AWEZNQCLSA-N 1 0 315.398 2.054 50 0 DEAARO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000032914291 401885974 /nfs/dbraw/zinc/88/59/74/401885974.db2.gz FJZJPCVRACBLGI-LRDDRELGSA-N 1 0 315.417 2.105 50 0 DEAARO Cn1ncc2c1ncnc2N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032923559 401886376 /nfs/dbraw/zinc/88/63/76/401886376.db2.gz PVAGTXUNLCUPRF-OAHLLOKOSA-N 1 0 322.416 2.440 50 0 DEAARO C[N@@H+]1CCCN(C(=O)CCc2nc3ccccc3s2)CC1 ZINC000032963996 401886893 /nfs/dbraw/zinc/88/68/93/401886893.db2.gz JIWMTVHFDQWPSF-UHFFFAOYSA-N 1 0 303.431 2.393 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000035255851 401897409 /nfs/dbraw/zinc/89/74/09/401897409.db2.gz HDDOHKJKDSMBIA-LBPRGKRZSA-N 1 0 315.186 2.347 50 0 DEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccsc3)C2)CN1CCCO ZINC000082134049 401899843 /nfs/dbraw/zinc/89/98/43/401899843.db2.gz FXPJWLUBPGIUDA-KRWDZBQOSA-N 1 0 322.474 2.335 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000042907649 401935844 /nfs/dbraw/zinc/93/58/44/401935844.db2.gz FBTFQSHDHIUVQN-AWEZNQCLSA-N 1 0 301.390 2.473 50 0 DEAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036097002 401902662 /nfs/dbraw/zinc/90/26/62/401902662.db2.gz BNYKFVZYCYRNQJ-ROUUACIJSA-N 1 0 307.434 2.454 50 0 DEAARO Cc1ccc(C)c(OC[C@@H](O)CN2CC[NH+](C3CC3)CC2)c1C ZINC000084147791 401903136 /nfs/dbraw/zinc/90/31/36/401903136.db2.gz XYJOIPLIBVXGFQ-SFHVURJKSA-N 1 0 318.461 2.132 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296749 401903800 /nfs/dbraw/zinc/90/38/00/401903800.db2.gz UAXSMXNBJPERKL-UHFFFAOYSA-N 1 0 302.827 2.008 50 0 DEAARO CC(C)CCNC(=O)NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000036396129 401905569 /nfs/dbraw/zinc/90/55/69/401905569.db2.gz VCWLTHJVJJWUME-UHFFFAOYSA-N 1 0 319.449 2.423 50 0 DEAARO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938009 401912275 /nfs/dbraw/zinc/91/22/75/401912275.db2.gz QEFLKYWTCBKBGB-ZDUSSCGKSA-N 1 0 308.403 2.148 50 0 DEAARO Cn1cc([C@H](O)C[NH2+]Cc2ccc(Cl)c3cccnc23)cn1 ZINC000089755248 401961243 /nfs/dbraw/zinc/96/12/43/401961243.db2.gz VTMCIKIMCUKTDC-OAHLLOKOSA-N 1 0 316.792 2.445 50 0 DEAARO Cc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)nc1 ZINC000089926153 401973432 /nfs/dbraw/zinc/97/34/32/401973432.db2.gz TYCFXIZMTCZPQJ-INIZCTEOSA-N 1 0 300.406 2.069 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC000048311711 401998592 /nfs/dbraw/zinc/99/85/92/401998592.db2.gz KCEUGYOOVOJBME-ZIAGYGMSSA-N 1 0 323.462 2.221 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccn2)C1 ZINC000150754440 401994379 /nfs/dbraw/zinc/99/43/79/401994379.db2.gz FDINYBJHNZNRJG-HNNXBMFYSA-N 1 0 304.438 2.201 50 0 DEAARO CCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2C)cc1OC ZINC000089267902 401941320 /nfs/dbraw/zinc/94/13/20/401941320.db2.gz HLPSUGLHAXYIBX-BBRMVZONSA-N 1 0 320.433 2.440 50 0 DEAARO C[C@@H]1NC(=O)N(C[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1=O ZINC000048278846 401997016 /nfs/dbraw/zinc/99/70/16/401997016.db2.gz GOILWCPFVKQDID-SMDDNHRTSA-N 1 0 321.808 2.417 50 0 DEAARO CN(C(=O)c1c(F)cc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000094716991 402022823 /nfs/dbraw/zinc/02/28/23/402022823.db2.gz JRFQGPBKPQMWCF-QMMMGPOBSA-N 1 0 319.149 2.161 50 0 DEAARO COC(=O)c1ccc2ccn(C[C@H]3CCC[N@H+](C)C3)c(=O)c2c1 ZINC000095353093 402026211 /nfs/dbraw/zinc/02/62/11/402026211.db2.gz YFQUXVKSKHXUTI-ZDUSSCGKSA-N 1 0 314.385 2.130 50 0 DEAARO Cc1n[nH]c(C)c1CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095372396 402028835 /nfs/dbraw/zinc/02/88/35/402028835.db2.gz TUKDQGUTWUJSSY-MRXNPFEDSA-N 1 0 312.417 2.424 50 0 DEAARO COC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376513 402029756 /nfs/dbraw/zinc/02/97/56/402029756.db2.gz UASJVJQMAVQRFX-GVDBMIGSSA-N 1 0 316.401 2.324 50 0 DEAARO CC[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[N@@H+]1C(C)C ZINC000095380871 402030349 /nfs/dbraw/zinc/03/03/49/402030349.db2.gz XGFLWYHASBMVRC-HNNXBMFYSA-N 1 0 302.422 2.299 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NCCn2cc(Cl)cn2)CC1 ZINC000095379322 402030398 /nfs/dbraw/zinc/03/03/98/402030398.db2.gz DZQCWWNUDHXICA-UHFFFAOYSA-N 1 0 312.845 2.165 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000095381924 402030502 /nfs/dbraw/zinc/03/05/02/402030502.db2.gz UWUUBIDTNUDBMT-INIZCTEOSA-N 1 0 320.481 2.299 50 0 DEAARO CN(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC000095387966 402031798 /nfs/dbraw/zinc/03/17/98/402031798.db2.gz MGZDASJQVNGQNK-INIZCTEOSA-N 1 0 321.440 2.419 50 0 DEAARO Cc1sc2[nH]c(C[NH2+][C@@H](CCO)C(C)C)nc(=O)c2c1C ZINC000095941177 402035262 /nfs/dbraw/zinc/03/52/62/402035262.db2.gz RICQTIXDWMOCJA-NSHDSACASA-N 1 0 309.435 2.098 50 0 DEAARO Cn1c(C[N@@H+]2CCC[C@H]2C(C)(C)O)nnc1-c1ccccc1 ZINC000095978825 402040786 /nfs/dbraw/zinc/04/07/86/402040786.db2.gz OQWJVKUQOCSYTH-AWEZNQCLSA-N 1 0 300.406 2.217 50 0 DEAARO COC(=O)[C@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000095981654 402041326 /nfs/dbraw/zinc/04/13/26/402041326.db2.gz OWQGNCBOFYYBPS-IAGOWNOFSA-N 1 0 302.418 2.071 50 0 DEAARO Cc1ccc(NC(=O)C[N@@H+](C)C2(CCO)CCOCC2)c(C)c1 ZINC000095995986 402044723 /nfs/dbraw/zinc/04/47/23/402044723.db2.gz HJUQKUOBWOBYCW-UHFFFAOYSA-N 1 0 320.433 2.105 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000053203087 402053067 /nfs/dbraw/zinc/05/30/67/402053067.db2.gz IYSURPYYKABUGN-SECBINFHSA-N 1 0 323.245 2.366 50 0 DEAARO COCC[N@@H+]1CCCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000048426668 402000108 /nfs/dbraw/zinc/00/01/08/402000108.db2.gz ULEDNJXQWHOUQI-UHFFFAOYSA-N 1 0 322.474 2.421 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(F)cc1Br ZINC000122316330 402071600 /nfs/dbraw/zinc/07/16/00/402071600.db2.gz JJWOEDBASLRJTF-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO C[C@H](Cc1ccc(F)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000055142264 402076744 /nfs/dbraw/zinc/07/67/44/402076744.db2.gz FPZHJCNOOWSTNX-CQSZACIVSA-N 1 0 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CC[N@@H+]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 ZINC000069464746 402225282 /nfs/dbraw/zinc/22/52/82/402225282.db2.gz DTCLYQNOTFBGKE-UHFFFAOYSA-N 1 0 312.417 2.414 50 0 DEAARO COc1ccc(OC)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000069517837 402227875 /nfs/dbraw/zinc/22/78/75/402227875.db2.gz MVAGAZKFLWVCRE-CVEARBPZSA-N 1 0 318.417 2.403 50 0 DEAARO O=C(c1cccc2c1OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000069515018 402227965 /nfs/dbraw/zinc/22/79/65/402227965.db2.gz BPMMUFDYOACMFM-UHFFFAOYSA-N 1 0 302.374 2.116 50 0 DEAARO C[C@@H](CNC(=O)[C@H](C)NC(=O)CC1CCCCC1)[NH+]1CCCC1 ZINC000069530597 402229040 /nfs/dbraw/zinc/22/90/40/402229040.db2.gz NEUCTXQGLSEBNE-GJZGRUSLSA-N 1 0 323.481 2.062 50 0 DEAARO CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000069530365 402229224 /nfs/dbraw/zinc/22/92/24/402229224.db2.gz USFWVMWGEAZAII-MRXNPFEDSA-N 1 0 312.417 2.220 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000069534726 402229927 /nfs/dbraw/zinc/22/99/27/402229927.db2.gz 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[NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000247446771 402567627 /nfs/dbraw/zinc/56/76/27/402567627.db2.gz YIJUTPILDQOKMF-LEWSCRJBSA-N 1 0 323.234 2.360 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000248088954 402582243 /nfs/dbraw/zinc/58/22/43/402582243.db2.gz BVMFNMPYQOYFPJ-UONOGXRCSA-N 1 0 302.374 2.114 50 0 DEAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCCC1 ZINC000190419092 402599989 /nfs/dbraw/zinc/59/99/89/402599989.db2.gz INDYWDPIQVHVOE-QGZVFWFLSA-N 1 0 317.433 2.083 50 0 DEAARO C[C@@H]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[C@H]1C ZINC000248651787 402601701 /nfs/dbraw/zinc/60/17/01/402601701.db2.gz SXKZCGYINALSRC-NFAWXSAZSA-N 1 0 314.495 2.357 50 0 DEAARO Cc1ccc([C@H](C)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000252517644 402657952 /nfs/dbraw/zinc/65/79/52/402657952.db2.gz NWLQTERQUMABPV-CGTJXYLNSA-N 1 0 316.445 2.156 50 0 DEAARO CC[N@H+](CCOC[C@H]1CCCO1)C[C@H]1COc2ccccc2O1 ZINC000252517794 402658006 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COc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1F ZINC000192961688 402758853 /nfs/dbraw/zinc/75/88/53/402758853.db2.gz BDSPHQOBJQTOLG-CYBMUJFWSA-N 1 0 304.369 2.338 50 0 DEAARO COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000195548797 402850777 /nfs/dbraw/zinc/85/07/77/402850777.db2.gz AVWATIYMJLEOGU-LSDHHAIUSA-N 1 0 318.417 2.124 50 0 DEAARO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1 ZINC000271438793 402870870 /nfs/dbraw/zinc/87/08/70/402870870.db2.gz RJLWIGPPMFSDLX-HNNXBMFYSA-N 1 0 306.406 2.369 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000269259351 403125411 /nfs/dbraw/zinc/12/54/11/403125411.db2.gz IXACDJSIRKAJPR-DGCLKSJQSA-N 1 0 316.430 2.405 50 0 DEAARO O[C@H](CNc1ccc(F)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000283594580 403208700 /nfs/dbraw/zinc/20/87/00/403208700.db2.gz QDPCRGUZDINSGL-MRXNPFEDSA-N 1 0 301.365 2.052 50 0 DEAARO CCCNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]2)cc1 ZINC000299778322 403572183 /nfs/dbraw/zinc/57/21/83/403572183.db2.gz 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O=C(CCN1CC[NH+](CCCF)CC1)Nc1cccc(F)c1 ZINC000585123537 405872666 /nfs/dbraw/zinc/87/26/66/405872666.db2.gz MUCONNICKKSWPT-UHFFFAOYSA-N 1 0 311.376 2.132 50 0 DEAARO COc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000129830907 196079158 /nfs/dbraw/zinc/07/91/58/196079158.db2.gz CCJJTEIGKKKWTR-OAHLLOKOSA-N 1 0 305.422 2.097 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000132252634 196238638 /nfs/dbraw/zinc/23/86/38/196238638.db2.gz JPACYDICILFCNC-DLOVCJGASA-N 1 0 314.307 2.248 50 0 DEAARO CCCOc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1OC ZINC000132531967 196263247 /nfs/dbraw/zinc/26/32/47/196263247.db2.gz VIDCFXLTOODVQJ-DYLGSBMWSA-N 1 0 304.390 2.057 50 0 DEAARO CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000246517802 225227444 /nfs/dbraw/zinc/22/74/44/225227444.db2.gz XHTCQYWVNMSCOA-QIIPPGSGSA-N 1 0 323.481 2.316 50 0 DEAARO c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc2nonc12 ZINC000408523588 227243010 /nfs/dbraw/zinc/24/30/10/227243010.db2.gz 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ZINC000107494988 424850092 /nfs/dbraw/zinc/85/00/92/424850092.db2.gz XODXFBKZUZSOQW-KBPBESRZSA-N 1 0 313.401 2.069 50 0 DEAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2nc(C)no2)cn1 ZINC000107322523 424850253 /nfs/dbraw/zinc/85/02/53/424850253.db2.gz MGPGHSSQHNVGGB-SCDSUCTJSA-N 1 0 305.382 2.023 50 0 DEAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000107323586 424850277 /nfs/dbraw/zinc/85/02/77/424850277.db2.gz LXZYRGKRKJKJQH-MPKXVKKWSA-N 1 0 306.410 2.066 50 0 DEAARO Cc1nnc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)o1 ZINC000220111196 424885194 /nfs/dbraw/zinc/88/51/94/424885194.db2.gz CYCVEUBWDJSHMZ-KRWDZBQOSA-N 1 0 312.417 2.053 50 0 DEAARO COCCC1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1 ZINC000408520141 274018444 /nfs/dbraw/zinc/01/84/44/274018444.db2.gz MMTAYCZHQSEFIS-HZPDHXFCSA-N 1 0 320.408 2.286 50 0 DEAARO CN(C)[C@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000095365855 276849814 /nfs/dbraw/zinc/84/98/14/276849814.db2.gz SYBZMWYROFXSNE-KRWDZBQOSA-N 1 0 321.440 2.421 50 0 DEAARO COC(=O)[C@@H]1C[N@H+](C)CC[C@]1(C)OC(=O)Oc1ccccc1 ZINC000252427728 277362821 /nfs/dbraw/zinc/36/28/21/277362821.db2.gz DGPKGLHMCMOPGO-BBRMVZONSA-N 1 0 307.346 2.085 50 0 DEAARO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000097019893 278125043 /nfs/dbraw/zinc/12/50/43/278125043.db2.gz XQSVLHXYPVWMFR-ZDUSSCGKSA-N 1 0 300.406 2.282 50 0 DEAARO CC(=O)Nc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000024801955 278193678 /nfs/dbraw/zinc/19/36/78/278193678.db2.gz REPSBMBDPPQIDF-CYBMUJFWSA-N 1 0 303.406 2.249 50 0 DEAARO C[C@@H](CNC(=O)NCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000041198827 278274477 /nfs/dbraw/zinc/27/44/77/278274477.db2.gz LJONCOTZVISNPO-NSHDSACASA-N 1 0 315.339 2.295 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000058393357 279197259 /nfs/dbraw/zinc/19/72/59/279197259.db2.gz HTBASPHJRXYBBV-HNNXBMFYSA-N 1 0 321.494 2.249 50 0 DEAARO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000097495418 279373196 /nfs/dbraw/zinc/37/31/96/279373196.db2.gz DJWZTCSASDEBFC-HNNXBMFYSA-N 1 0 304.438 2.001 50 0 DEAARO Cc1nc2c(ncnc2N2CCCN(c3cc[nH+]cc3C)CC2)o1 ZINC000063882983 282022232 /nfs/dbraw/zinc/02/22/32/282022232.db2.gz VWUFSFPKEJZCMP-UHFFFAOYSA-N 1 0 324.388 2.346 50 0 DEAARO COc1ccc(-c2cnc3[nH]ccc3c2)cc1C[C@@H](C[NH3+])CO ZINC000935616195 782067940 /nfs/dbraw/zinc/06/79/40/782067940.db2.gz CAGRATVGVMRUPN-LBPRGKRZSA-N 1 0 311.385 2.300 50 0 DEAARO COC1CCN(C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000534639206 334310531 /nfs/dbraw/zinc/31/05/31/334310531.db2.gz PWWWSMKXAUDHDI-QGZVFWFLSA-N 1 0 319.449 2.418 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000022999784 337350861 /nfs/dbraw/zinc/35/08/61/337350861.db2.gz HQOPYOIQLBOWAH-UHFFFAOYSA-N 1 0 316.854 2.101 50 0 DEAARO CSc1ccc(O[C@@H](C)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000096419269 337381957 /nfs/dbraw/zinc/38/19/57/337381957.db2.gz WLMXEIHFSLRBKP-STQMWFEESA-N 1 0 308.447 2.386 50 0 DEAARO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000159236924 337383496 /nfs/dbraw/zinc/38/34/96/337383496.db2.gz WUBLMAVMHWZYSW-HNNXBMFYSA-N 1 0 323.481 2.001 50 0 DEAARO CC(C)Oc1ccc([C@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC000242389243 528209434 /nfs/dbraw/zinc/20/94/34/528209434.db2.gz ZVLHZHHWEIBEHO-RHSMWYFYSA-N 1 0 320.433 2.108 50 0 DEAARO CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC([NH3+])CC1 ZINC000299740030 528636370 /nfs/dbraw/zinc/63/63/70/528636370.db2.gz USTCJTYMSJSODY-OAHLLOKOSA-N 1 0 312.360 2.318 50 0 DEAARO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc2c(c1)CCCN2 ZINC000332513235 528950015 /nfs/dbraw/zinc/95/00/15/528950015.db2.gz VVBSMEHPQWFJNC-INIZCTEOSA-N 1 0 301.434 2.439 50 0 DEAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C1 ZINC000253536020 563784182 /nfs/dbraw/zinc/78/41/82/563784182.db2.gz CUKCNWRQDONIRL-CYBMUJFWSA-N 1 0 313.401 2.207 50 0 DEAARO Cc1nc(CCN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)no1 ZINC000023251070 625808388 /nfs/dbraw/zinc/80/83/88/625808388.db2.gz MWZHGWAHQIJBGV-NSHDSACASA-N 1 0 320.418 2.179 50 0 DEAARO C[C@@H]([NH3+])CONC(=O)c1cc(Cl)ccc1Br ZINC000888094259 635499271 /nfs/dbraw/zinc/49/92/71/635499271.db2.gz BZQXKQUKTOLBKC-ZCFIWIBFSA-N 1 0 307.575 2.111 50 0 DEAARO COC[C@H]([NH2+][C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 ZINC000888099122 635546260 /nfs/dbraw/zinc/54/62/60/635546260.db2.gz VFEUMHXDQUYLCT-TUVASFSCSA-N 1 0 310.438 2.256 50 0 DEAARO O=C(Cc1cccnc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011666456 635646051 /nfs/dbraw/zinc/64/60/51/635646051.db2.gz QCOVMAGOWXUCFV-IBGZPJMESA-N 1 0 323.440 2.447 50 0 DEAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC)C2 ZINC000014740782 683849072 /nfs/dbraw/zinc/84/90/72/683849072.db2.gz FQWYYYXKYUEIIL-CQSZACIVSA-N 1 0 318.465 2.386 50 0 DEAARO C[NH+](C)CC(C)(C)CNC(=O)c1cn(CC2CCCCC2)nn1 ZINC000014950138 683849872 /nfs/dbraw/zinc/84/98/72/683849872.db2.gz XJQZHUXDARBHFU-UHFFFAOYSA-N 1 0 321.469 2.176 50 0 DEAARO Cc1nc[nH]c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067856720 683925643 /nfs/dbraw/zinc/92/56/43/683925643.db2.gz AIUOZYTWDCBKJO-CYBMUJFWSA-N 1 0 316.380 2.109 50 0 DEAARO O=C1N(C2CCOCC2)CCC[C@@]12CCN(c1cc[nH+]cc1)C2 ZINC000091846222 684039621 /nfs/dbraw/zinc/03/96/21/684039621.db2.gz XFRUYGBFGBJSTP-SFHVURJKSA-N 1 0 315.417 2.080 50 0 DEAARO Cn1cc([C@@H](O)C[NH2+]C2CC(Sc3ccccc3)C2)cn1 ZINC000863983171 686602234 /nfs/dbraw/zinc/60/22/34/686602234.db2.gz DLFJARLQBZDPSA-BCLQGDPASA-N 1 0 303.431 2.366 50 0 DEAARO CN(CC[NH+](C)C)c1nc(C2CCCC2)nc2c1CCOCC2 ZINC000675014735 778333894 /nfs/dbraw/zinc/33/38/94/778333894.db2.gz ZVGRVAQHPMLICF-UHFFFAOYSA-N 1 0 318.465 2.247 50 0 DEAARO COCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000824312841 783592149 /nfs/dbraw/zinc/59/21/49/783592149.db2.gz ALWKFWPUCZEKCE-HNNXBMFYSA-N 1 0 319.405 2.084 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCCNc1nccc2cccnc21 ZINC000828710955 783842450 /nfs/dbraw/zinc/84/24/50/783842450.db2.gz RFPVMGWTCXLESY-HNNXBMFYSA-N 1 0 300.406 2.279 50 0 DEAARO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)n1cc(Cl)cn1 ZINC000065383401 784597757 /nfs/dbraw/zinc/59/77/57/784597757.db2.gz KWKGVYVXTOLBNI-LBPRGKRZSA-N 1 0 310.829 2.184 50 0 DEAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)c2ccncc2)C1 ZINC000581775925 784773904 /nfs/dbraw/zinc/77/39/04/784773904.db2.gz BZAHSSSVPSUBED-UHFFFAOYSA-N 1 0 324.428 2.459 50 0 DEAARO O=C(c1cccnc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581797976 784778969 /nfs/dbraw/zinc/77/89/69/784778969.db2.gz BNFPYUHFJVBUGI-QZTJIDSGSA-N 1 0 307.397 2.428 50 0 DEAARO COCCCNC(=O)c1ccc(CC2CC[NH+](C)CC2)cc1 ZINC000581805509 784785112 /nfs/dbraw/zinc/78/51/12/784785112.db2.gz JUTHDCCOETZVDM-UHFFFAOYSA-N 1 0 304.434 2.337 50 0 DEAARO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000585116067 789702768 /nfs/dbraw/zinc/70/27/68/789702768.db2.gz GAFKVMHRNSQYQZ-CQSZACIVSA-N 1 0 314.389 2.013 50 0 DEAARO CC[C@H](C[NH2+]Cc1cnc(C)n1-c1ccccc1)C(=O)OC ZINC000585116552 789703228 /nfs/dbraw/zinc/70/32/28/789703228.db2.gz ANAVBIHZJXCUJT-CQSZACIVSA-N 1 0 301.390 2.470 50 0 DEAARO CC[N@H+](C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@H]1CCN(C)C1 ZINC000585116894 789703528 /nfs/dbraw/zinc/70/35/28/789703528.db2.gz LQUHWUGRDSKWHP-MPGHIAIKSA-N 1 0 323.481 2.269 50 0 DEAARO C[N@H+](C/C=C/c1ccccn1)CC(C)(C)CN1CCOCC1 ZINC000585117616 789707987 /nfs/dbraw/zinc/70/79/87/789707987.db2.gz NTNRECOJIMQQJW-SOFGYWHQSA-N 1 0 303.450 2.385 50 0 DEAARO CCn1c(C)cc2cc(NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)ccc21 ZINC000952868797 792785548 /nfs/dbraw/zinc/78/55/48/792785548.db2.gz GOSZFHSANVJLSP-HNNXBMFYSA-N 1 0 311.389 2.201 50 0 DEAARO Oc1cccc(CN2CCC[C@@H]([NH2+]CCCn3cccn3)C2)c1 ZINC000952866661 792799372 /nfs/dbraw/zinc/79/93/72/792799372.db2.gz DFPGZTSCOJINJP-QGZVFWFLSA-N 1 0 314.433 2.233 50 0 DEAARO CCn1c(C[NH2+]CCSc2nncn2C)nc2ccccc21 ZINC000952974933 792835631 /nfs/dbraw/zinc/83/56/31/792835631.db2.gz GFBMABUHRMATLH-UHFFFAOYSA-N 1 0 316.434 2.067 50 0 DEAARO Cc1nc2sccc2c(NCC[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000952988092 792867980 /nfs/dbraw/zinc/86/79/80/792867980.db2.gz AYWDEFPBTNOLFS-GFCCVEGCSA-N 1 0 306.435 2.258 50 0 DEAARO O=C1CCCN1CC[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC001529101570 1070855046 /nfs/dbraw/zinc/85/50/46/1070855046.db2.gz HVSQBVWOOPTNER-MRXNPFEDSA-N 1 0 308.447 2.116 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]2O)[nH]n1 ZINC001529174845 1070901976 /nfs/dbraw/zinc/90/19/76/1070901976.db2.gz YMDINKMYIJDDQC-MFKMUULPSA-N 1 0 311.838 2.468 50 0 DEAARO C/C=C/C[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC001506407300 1061948154 /nfs/dbraw/zinc/94/81/54/1061948154.db2.gz QLKYDGVMCIIXQS-NSCUHMNNSA-N 1 0 316.401 2.433 50 0 DEAARO C[C@H](CCc1nnc(Cc2cccs2)[nH]1)[NH+]1CCN(C)CC1 ZINC000823789437 1090700409 /nfs/dbraw/zinc/70/04/09/1090700409.db2.gz QBCWBISWDFJLEO-CYBMUJFWSA-N 1 0 319.478 2.026 50 0 DEAARO Cc1cccc(CN2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095529822 185378683 /nfs/dbraw/zinc/37/86/83/185378683.db2.gz MZCUAAXTSOQBPQ-IBGZPJMESA-N 1 0 311.429 2.069 50 0 DEAARO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCC(=O)NC(N)=O ZINC000078988405 185140783 /nfs/dbraw/zinc/14/07/83/185140783.db2.gz OZBPLIUIDPOLDW-MNOVXSKESA-N 1 0 311.813 2.349 50 0 DEAARO C[C@@H](COc1ccc(F)c(F)c1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000090053816 185279833 /nfs/dbraw/zinc/27/98/33/185279833.db2.gz MACRLGPDAAPLCW-MEDUHNTESA-N 1 0 315.360 2.109 50 0 DEAARO CCCCCC[N@@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082107156 192356806 /nfs/dbraw/zinc/35/68/06/192356806.db2.gz DIWNZOIXPCOCDE-UHFFFAOYSA-N 1 0 307.442 2.050 50 0 DEAARO Cn1cc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000092387601 185315255 /nfs/dbraw/zinc/31/52/55/185315255.db2.gz YMQHDZHICVWLNG-UHFFFAOYSA-N 1 0 319.840 2.437 50 0 DEAARO COc1ccccc1OC1CN(C(=O)[C@H](C)C[NH+]2CCCC2)C1 ZINC000082133807 192360894 /nfs/dbraw/zinc/36/08/94/192360894.db2.gz YEMACWHEIVQFKG-CQSZACIVSA-N 1 0 318.417 2.017 50 0 DEAARO Cc1cnc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000095391580 185351493 /nfs/dbraw/zinc/35/14/93/185351493.db2.gz PHYFUJDRWATMFK-UHFFFAOYSA-N 1 0 316.449 2.446 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1ncnc2cc(F)ccc21 ZINC000095391865 185351825 /nfs/dbraw/zinc/35/18/25/185351825.db2.gz RQVPAKMTRDIEEQ-GJZGRUSLSA-N 1 0 304.369 2.288 50 0 DEAARO COc1csc(C(=O)Nc2ccnn2C2CC[NH+](C)CC2)c1 ZINC000095406006 185355905 /nfs/dbraw/zinc/35/59/05/185355905.db2.gz OJPGJEBGNDHXTE-UHFFFAOYSA-N 1 0 320.418 2.472 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000095427796 185362049 /nfs/dbraw/zinc/36/20/49/185362049.db2.gz VGQXOMSXGLQUKZ-MRXNPFEDSA-N 1 0 323.412 2.250 50 0 DEAARO Cc1nc(CNC(=O)NCCC[NH+]2CCCCC2)c(C)s1 ZINC000095443146 185366939 /nfs/dbraw/zinc/36/69/39/185366939.db2.gz NCNIGUAYBBELCD-UHFFFAOYSA-N 1 0 310.467 2.435 50 0 DEAARO O=C(c1cc(Cl)c[nH]1)N1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC000095457036 185370374 /nfs/dbraw/zinc/37/03/74/185370374.db2.gz WXSSCSRPMZSDCY-GFCCVEGCSA-N 1 0 313.854 2.322 50 0 DEAARO CCc1ccc(CNCc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000097015184 185397223 /nfs/dbraw/zinc/39/72/23/185397223.db2.gz ZQNFPKCOXKNGJG-UHFFFAOYSA-N 1 0 314.433 2.279 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000097019940 185398315 /nfs/dbraw/zinc/39/83/15/185398315.db2.gz LSCDMPGQGDDUGD-PSASIEDQSA-N 1 0 305.241 2.059 50 0 DEAARO COC(=O)[C@@H]1C[C@@H](O)[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC000083423127 539389759 /nfs/dbraw/zinc/38/97/59/539389759.db2.gz JDLGCUAPLDHNLA-USXIJHARSA-N 1 0 321.392 2.318 50 0 DEAARO CCc1nc(C[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)cs1 ZINC000083830331 539390930 /nfs/dbraw/zinc/39/09/30/539390930.db2.gz FAUATVHWJQUYLQ-ABAIWWIYSA-N 1 0 306.435 2.306 50 0 DEAARO C[S@@](=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000083990349 539391569 /nfs/dbraw/zinc/39/15/69/539391569.db2.gz WFSDGYMYLSYCCG-FPTDNZKUSA-N 1 0 321.446 2.126 50 0 DEAARO COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)cc1C ZINC000091590519 539421253 /nfs/dbraw/zinc/42/12/53/539421253.db2.gz FQSQMVUKFZCMOZ-LLVKDONJSA-N 1 0 318.377 2.433 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1F ZINC000069871062 190830660 /nfs/dbraw/zinc/83/06/60/190830660.db2.gz YQTXXBNROOVDCD-AWEZNQCLSA-N 1 0 316.380 2.383 50 0 DEAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000253369523 282598989 /nfs/dbraw/zinc/59/89/89/282598989.db2.gz DRRULCPKFTXINA-MCIONIFRSA-N 1 0 314.437 2.205 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 ZINC000133479817 185988531 /nfs/dbraw/zinc/98/85/31/185988531.db2.gz UIOGLVYFVYQJTK-FSNWXROXSA-N 1 0 310.401 2.096 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2cnn(C)c2)CCC[N@@H+]1CC1CC1 ZINC000071747771 191020721 /nfs/dbraw/zinc/02/07/21/191020721.db2.gz XLKFKPZSBNKUCR-INIZCTEOSA-N 1 0 304.438 2.003 50 0 DEAARO Cc1cccc(OCCN2CCC[C@@](O)(C[NH+](C)C)C2)c1C ZINC000072141964 191049080 /nfs/dbraw/zinc/04/90/80/191049080.db2.gz WKJJDRNOVSTWMV-GOSISDBHSA-N 1 0 306.450 2.071 50 0 DEAARO Cc1nc2c(cnn2C)c(N(C)Cc2ccccc2C[NH+](C)C)n1 ZINC000072151755 191055265 /nfs/dbraw/zinc/05/52/65/191055265.db2.gz DXIDEWOGZWMNOC-UHFFFAOYSA-N 1 0 324.432 2.370 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)CC2)cc1OC ZINC000072154592 191058684 /nfs/dbraw/zinc/05/86/84/191058684.db2.gz HUWFCHNSMUYKKT-KRWDZBQOSA-N 1 0 320.389 2.168 50 0 DEAARO CCC(=O)c1ccc(OCC(=O)N[C@H]2CC[C@H]2[NH2+]C(C)C)cc1 ZINC000072164709 191065740 /nfs/dbraw/zinc/06/57/40/191065740.db2.gz ZIBVQAGDCJDWED-CVEARBPZSA-N 1 0 318.417 2.303 50 0 DEAARO COc1cccc(OC2CN(Cc3cccc(CC[NH3+])c3)C2)c1 ZINC000072419291 191156687 /nfs/dbraw/zinc/15/66/87/191156687.db2.gz YGSBBXVGKLJCBM-UHFFFAOYSA-N 1 0 312.413 2.460 50 0 DEAARO c1ccc(-c2nc3c(c(NC[C@@H]4CCOC4)n2)CC[NH2+]CC3)cc1 ZINC000072424680 191159660 /nfs/dbraw/zinc/15/96/60/191159660.db2.gz OPYMEVLHTGSUIH-AWEZNQCLSA-N 1 0 324.428 2.280 50 0 DEAARO c1c(CNc2ncnc3c2CC[NH2+]CC3)[nH]nc1-c1ccccc1 ZINC000072469387 191175185 /nfs/dbraw/zinc/17/51/85/191175185.db2.gz BYMFRNQAONHKFA-UHFFFAOYSA-N 1 0 320.400 2.167 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCn1cccn1 ZINC000299754415 539859824 /nfs/dbraw/zinc/85/98/24/539859824.db2.gz KUPGUSGRPUNXBB-IRXDYDNUSA-N 1 0 318.465 2.386 50 0 biogenic DEAARO COc1cc(C[NH2+]CCCCO)cc(Br)c1OC ZINC000002178146 180914048 /nfs/dbraw/zinc/91/40/48/180914048.db2.gz DMRWLUJZFNDEBF-UHFFFAOYSA-N 1 0 318.211 2.328 50 0 DEAARO C[NH+](C)CCCn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000002224397 180915815 /nfs/dbraw/zinc/91/58/15/180915815.db2.gz DYAXJCJUELNJSE-UHFFFAOYSA-N 1 0 304.781 2.483 50 0 DEAARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002315277 180919456 /nfs/dbraw/zinc/91/94/56/180919456.db2.gz KJPYPBLKSFPWTP-VQHVLOKHSA-N 1 0 304.390 2.277 50 0 aggregator,biogenic DEAARO COc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)ccc1O ZINC000002840945 180962742 /nfs/dbraw/zinc/96/27/42/180962742.db2.gz ZBEAWOWTBLKPCN-UHFFFAOYSA-N 1 0 301.342 2.462 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000003441934 181020412 /nfs/dbraw/zinc/02/04/12/181020412.db2.gz KIMRAUKIZSFDBZ-JTQLQIEISA-N 1 0 320.817 2.242 50 0 DEAARO O=S1(=O)C[C@H](Nc2ccccc2)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000004058403 181068306 /nfs/dbraw/zinc/06/83/06/181068306.db2.gz QSGJWXJYQPHOAM-IRXDYDNUSA-N 1 0 316.426 2.054 50 0 DEAARO C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000004173728 181081437 /nfs/dbraw/zinc/08/14/37/181081437.db2.gz IKWRGCJITJVXSP-HIFRSBDPSA-N 1 0 307.390 2.025 50 0 DEAARO COc1ccc([C@@H]2SCC(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000004505868 181116888 /nfs/dbraw/zinc/11/68/88/181116888.db2.gz ZNBVRSHMULUPAJ-INIZCTEOSA-N 1 0 324.446 2.230 50 0 DEAARO CCCCNC(=O)CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000053098683 354423068 /nfs/dbraw/zinc/42/30/68/354423068.db2.gz HMVJHEDGHCTQIU-UHFFFAOYSA-N 1 0 317.477 2.153 50 0 DEAARO C[NH+](C)CCOC(=O)c1ccccc1I ZINC000004664807 181134097 /nfs/dbraw/zinc/13/40/97/181134097.db2.gz YHZWKKZCILOKDZ-UHFFFAOYSA-N 1 0 319.142 2.010 50 0 DEAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(N)=O ZINC000004850902 181162609 /nfs/dbraw/zinc/16/26/09/181162609.db2.gz DYJSAANWJHLHNT-UHFFFAOYSA-N 1 0 306.406 2.372 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000075606206 355095824 /nfs/dbraw/zinc/09/58/24/355095824.db2.gz VWIBHNDSNJNHNS-HZPDHXFCSA-N 1 0 322.836 2.320 50 0 DEAARO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)NCC1CCC1 ZINC000076108098 355126448 /nfs/dbraw/zinc/12/64/48/355126448.db2.gz CRKKRXWKDUHPPZ-ZWKOTPCHSA-N 1 0 316.445 2.491 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000078880261 355281937 /nfs/dbraw/zinc/28/19/37/355281937.db2.gz AVHDQNJCRGGLDN-RDJZCZTQSA-N 1 0 300.406 2.299 50 0 DEAARO COc1ccc(C[NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000004993769 181186641 /nfs/dbraw/zinc/18/66/41/181186641.db2.gz IJSIMXFYANEECO-UHFFFAOYSA-N 1 0 311.385 2.175 50 0 DEAARO O=C(NC1CC1)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000097371058 355703984 /nfs/dbraw/zinc/70/39/84/355703984.db2.gz BKWQCMDLZOTEQZ-CVEARBPZSA-N 1 0 304.459 2.362 50 0 DEAARO Cc1cccn2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)nc12 ZINC000097939104 355705946 /nfs/dbraw/zinc/70/59/46/355705946.db2.gz UEMCNMUZXPRIJW-AWEZNQCLSA-N 1 0 300.406 2.247 50 0 DEAARO COc1ccccc1CN1CC[C@@](C)(O)[C@H]([NH+]2CCCC2)C1 ZINC000097942685 355706502 /nfs/dbraw/zinc/70/65/02/355706502.db2.gz RITCYYXMUDCJDB-QZTJIDSGSA-N 1 0 304.434 2.116 50 0 DEAARO COc1c([C@H]2CCCN2[C@H](C)c2nc(C)no2)c(C)nn1C ZINC000106908335 355726642 /nfs/dbraw/zinc/72/66/42/355726642.db2.gz HZSJYYMIXJTGHN-ZYHUDNBSSA-N 1 0 305.382 2.327 50 0 DEAARO CCCNC(=O)N1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000169774510 355981659 /nfs/dbraw/zinc/98/16/59/355981659.db2.gz FPCGYBGEPGTAPZ-UHFFFAOYSA-N 1 0 317.433 2.465 50 0 DEAARO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000195544594 356256062 /nfs/dbraw/zinc/25/60/62/356256062.db2.gz CZGMKRKQSFLHSD-BXUZGUMPSA-N 1 0 316.854 2.277 50 0 DEAARO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOC[C@@H]2C)cc1 ZINC000195557651 356257080 /nfs/dbraw/zinc/25/70/80/356257080.db2.gz KJJIHTWDAAPXTB-KKUMJFAQSA-N 1 0 319.449 2.405 50 0 DEAARO [NH3+][C@@H](C(=O)N1CCO[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC000195555093 356257185 /nfs/dbraw/zinc/25/71/85/356257185.db2.gz MWEZGPPSRLNPPU-QZTJIDSGSA-N 1 0 310.397 2.157 50 0 DEAARO CC1(C(=O)NCc2cc[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000195569645 356258118 /nfs/dbraw/zinc/25/81/18/356258118.db2.gz AJEIHIZRZPFMHF-UHFFFAOYSA-N 1 0 312.417 2.328 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([C@@H]2CCCO2)n1 ZINC000195572384 356258943 /nfs/dbraw/zinc/25/89/43/356258943.db2.gz AGGDQZIVVFGNDL-AGIUHOORSA-N 1 0 309.435 2.128 50 0 DEAARO Cc1cnn(C[C@@H]2CCCN2[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000229491063 356282192 /nfs/dbraw/zinc/28/21/92/356282192.db2.gz PUZQOJYMBKNZAX-JKSUJKDBSA-N 1 0 316.380 2.022 50 0 DEAARO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](O)C1 ZINC000005830160 181287589 /nfs/dbraw/zinc/28/75/89/181287589.db2.gz CTNSQDVVUQFZNO-DLBZAZTESA-N 1 0 301.386 2.036 50 0 DEAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC([NH3+])CC1 ZINC000237046143 202134876 /nfs/dbraw/zinc/13/48/76/202134876.db2.gz GEZKAHTYBCSQLU-UHFFFAOYSA-N 1 0 301.390 2.058 50 0 DEAARO CCn1cc(C2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000237017028 202124280 /nfs/dbraw/zinc/12/42/80/202124280.db2.gz MYKJWHPZTDLSSQ-GDBMZVCRSA-N 1 0 304.438 2.127 50 0 DEAARO CC[C@@H]1C[N@H+](C)CCN1c1cc(-c2ccccc2)nc2ncnn21 ZINC000585085906 540256136 /nfs/dbraw/zinc/25/61/36/540256136.db2.gz PHNFRFIJNXPKFT-OAHLLOKOSA-N 1 0 322.416 2.322 50 0 DEAARO CCc1nsc(N(C)CCC[N@H+](C)Cc2ccncc2)n1 ZINC000585092242 540256437 /nfs/dbraw/zinc/25/64/37/540256437.db2.gz LGKKQUGEZQSMKA-UHFFFAOYSA-N 1 0 305.451 2.454 50 0 DEAARO Cc1c[nH+]ccc1N1CCN(C(=O)Cc2ccsc2)CC1 ZINC000584887838 357326375 /nfs/dbraw/zinc/32/63/75/357326375.db2.gz QLQYOZTWUDOPEE-UHFFFAOYSA-N 1 0 301.415 2.343 50 0 DEAARO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1(CO)CCCCCC1 ZINC000584899430 357330654 /nfs/dbraw/zinc/33/06/54/357330654.db2.gz YRTCOIDNOOZGRY-KRWDZBQOSA-N 1 0 318.461 2.361 50 0 DEAARO C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000585141282 357338845 /nfs/dbraw/zinc/33/88/45/357338845.db2.gz SQAMOOIVMIQSFQ-WQVCFCJDSA-N 1 0 319.474 2.442 50 0 DEAARO C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000585141278 357338992 /nfs/dbraw/zinc/33/89/92/357338992.db2.gz SQAMOOIVMIQSFQ-KCXAZCMYSA-N 1 0 319.474 2.442 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179024452 198970434 /nfs/dbraw/zinc/97/04/34/198970434.db2.gz DOUXPRACDQSXKH-LBPRGKRZSA-N 1 0 316.323 2.196 50 0 DEAARO NC(=O)N1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000061626200 283296935 /nfs/dbraw/zinc/29/69/35/283296935.db2.gz VOFPXHBUSKZPKR-UHFFFAOYSA-N 1 0 301.312 2.338 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 ZINC000237315114 202227746 /nfs/dbraw/zinc/22/77/46/202227746.db2.gz QEMJUGCJBVWTDF-LLVKDONJSA-N 1 0 310.829 2.325 50 0 DEAARO COc1cc(F)c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000237296913 202221500 /nfs/dbraw/zinc/22/15/00/202221500.db2.gz QPAGVQFSAMJHDT-ZWNOBZJWSA-N 1 0 310.369 2.042 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)c1 ZINC000237368628 202246780 /nfs/dbraw/zinc/24/67/80/202246780.db2.gz LTSJAUNAHAVQQS-UMVBOHGHSA-N 1 0 318.417 2.147 50 0 DEAARO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1OC ZINC000237427851 202262316 /nfs/dbraw/zinc/26/23/16/202262316.db2.gz GLAHAMKSUKIXJA-HIFRSBDPSA-N 1 0 304.434 2.461 50 0 DEAARO CCOc1ccccc1OCCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188392876 200239712 /nfs/dbraw/zinc/23/97/12/200239712.db2.gz HMCJZWJJXRUBOD-CQSZACIVSA-N 1 0 306.406 2.065 50 0 DEAARO COc1cc(/C=C/C(=O)N2CC[NH2+][C@H](C)C2)cc(Cl)c1OC ZINC000188377373 200236742 /nfs/dbraw/zinc/23/67/42/200236742.db2.gz RZTWUNXLLVBSPQ-SGUJLRQBSA-N 1 0 324.808 2.191 50 0 DEAARO CC(C)(C)OC(=O)N[C@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000601012381 359893458 /nfs/dbraw/zinc/89/34/58/359893458.db2.gz DBSIQDWAGSNRAF-KRWDZBQOSA-N 1 0 305.422 2.115 50 0 DEAARO CN(CCS(C)(=O)=O)CC1([NH+]2CCCCC2)CCCCC1 ZINC000670471853 540938290 /nfs/dbraw/zinc/93/82/90/540938290.db2.gz QRGBFTKDLKOBKH-UHFFFAOYSA-N 1 0 316.511 2.152 50 0 DEAARO Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1Cl ZINC000195449045 201390530 /nfs/dbraw/zinc/39/05/30/201390530.db2.gz HIBSACPTFGSIFY-HNNXBMFYSA-N 1 0 310.825 2.409 50 0 DEAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc3c(c2)CCC3)n1 ZINC000006533218 181351120 /nfs/dbraw/zinc/35/11/20/181351120.db2.gz XFGZIVLXAIKGQQ-UHFFFAOYSA-N 1 0 300.387 2.105 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000195542935 201403636 /nfs/dbraw/zinc/40/36/36/201403636.db2.gz LNJUSYOWPAMVHY-JGVFFNPUSA-N 1 0 304.287 2.442 50 0 DEAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000195542744 201404185 /nfs/dbraw/zinc/40/41/85/201404185.db2.gz PYVFMKPUHBTOOK-SECBINFHSA-N 1 0 301.159 2.070 50 0 DEAARO Cc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)on1 ZINC000091444542 193056469 /nfs/dbraw/zinc/05/64/69/193056469.db2.gz UNELPYYFLBBRRU-DLBZAZTESA-N 1 0 312.417 2.474 50 0 DEAARO CN(C)C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091518726 193067966 /nfs/dbraw/zinc/06/79/66/193067966.db2.gz HRRULCAYBVVJGD-WMLDXEAASA-N 1 0 313.445 2.232 50 0 DEAARO Cc1cccnc1NCCNC(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000091550757 193072036 /nfs/dbraw/zinc/07/20/36/193072036.db2.gz MLTANYNEFNFYFT-HNNXBMFYSA-N 1 0 304.438 2.040 50 0 DEAARO C[C@@H]1C[N@H+](Cc2cc(C3CC3)n[nH]2)CC[C@@]1(O)C1CCOCC1 ZINC000091593653 193076527 /nfs/dbraw/zinc/07/65/27/193076527.db2.gz HQYPKRDPKDNCFF-ACJLOTCBSA-N 1 0 319.449 2.287 50 0 DEAARO CC[N@H+](C)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)C[C@@H]1CO ZINC000091643621 193083490 /nfs/dbraw/zinc/08/34/90/193083490.db2.gz GHRTUEKHEKEHRP-ADDHZHGLSA-N 1 0 306.425 2.331 50 0 DEAARO CC[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1cccn1 ZINC000091663601 193086866 /nfs/dbraw/zinc/08/68/66/193086866.db2.gz HDNSHYLCKSOHLJ-MRXNPFEDSA-N 1 0 304.438 2.311 50 0 DEAARO CN1CCC[C@]2(CC[N@H+](CCOc3ccc(F)cc3)C2)C1=O ZINC000091690651 193091070 /nfs/dbraw/zinc/09/10/70/193091070.db2.gz CGCNPZFJHYGJIN-QGZVFWFLSA-N 1 0 306.381 2.149 50 0 DEAARO COc1ccc([C@H]2CN(C(=O)c3ccsc3)C[C@@H]2[NH3+])cc1 ZINC000091746330 193101287 /nfs/dbraw/zinc/10/12/87/193101287.db2.gz HMVVONVGECTTFM-CABCVRRESA-N 1 0 302.399 2.324 50 0 DEAARO C[NH+]1CCC(O)(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000091934179 193128819 /nfs/dbraw/zinc/12/88/19/193128819.db2.gz CVHULFGRPOOFCI-GOSISDBHSA-N 1 0 316.445 2.023 50 0 DEAARO CC[C@]1(CO)CCC[N@H+](CCCOc2ccc(C(N)=O)cc2)C1 ZINC000091943461 193130167 /nfs/dbraw/zinc/13/01/67/193130167.db2.gz FAKUJUDEVANOKW-SFHVURJKSA-N 1 0 320.433 2.039 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCn1ncc2ccccc21 ZINC000091997416 193138053 /nfs/dbraw/zinc/13/80/53/193138053.db2.gz JNWHHODFHOACNI-KRWDZBQOSA-N 1 0 314.433 2.417 50 0 DEAARO CCC[C@H]1C[N@H+](Cc2ccncc2)C[C@@H]1NC(=O)CSC ZINC000092078914 193155438 /nfs/dbraw/zinc/15/54/38/193155438.db2.gz RLSMOLLCUDGNLV-GJZGRUSLSA-N 1 0 307.463 2.161 50 0 DEAARO O=C1CCC2(CC[NH+](Cc3nccn3C3CC3)CC2)CCN1 ZINC000252487793 202844498 /nfs/dbraw/zinc/84/44/98/202844498.db2.gz IBRKZSXLVDBAGL-UHFFFAOYSA-N 1 0 302.422 2.100 50 0 DEAARO CC[C@@H](CO)[NH+]1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093740249 193299043 /nfs/dbraw/zinc/29/90/43/193299043.db2.gz KHQMAPHONDHPOB-ZDUSSCGKSA-N 1 0 311.495 2.329 50 0 DEAARO [NH3+]CCCOC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000094071247 193343083 /nfs/dbraw/zinc/34/30/83/193343083.db2.gz JYFPNRZNHHHYOK-UHFFFAOYSA-N 1 0 310.825 2.239 50 0 DEAARO C/C(=C/c1ccccc1)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000096297208 193611360 /nfs/dbraw/zinc/61/13/60/193611360.db2.gz AYICCZDBJLHLER-QINSGFPZSA-N 1 0 322.474 2.351 50 0 DEAARO Cc1ccccc1CCC(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000012316004 181748553 /nfs/dbraw/zinc/74/85/53/181748553.db2.gz RCLDIUHGZASCBP-QGZVFWFLSA-N 1 0 304.434 2.107 50 0 DEAARO C[C@H](CNC(=O)c1ccnc2ccncc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000274889202 212011843 /nfs/dbraw/zinc/01/18/43/212011843.db2.gz LGUBLJNDEYAVAW-ZIAGYGMSSA-N 1 0 312.417 2.480 50 0 DEAARO O=C(c1cc(C2CC2)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679324 182012644 /nfs/dbraw/zinc/01/26/44/182012644.db2.gz XLPSUABUWIHRQF-UHFFFAOYSA-N 1 0 302.422 2.378 50 0 DEAARO Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1cnn(-c2ccccn2)c1 ZINC000530250683 284385782 /nfs/dbraw/zinc/38/57/82/284385782.db2.gz MLRLVWNYTCSFNP-HNNXBMFYSA-N 1 0 322.412 2.352 50 0 DEAARO CCCCOC[C@H](O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000019908759 182163342 /nfs/dbraw/zinc/16/33/42/182163342.db2.gz KFZPNMNTHXPFJN-GOSISDBHSA-N 1 0 306.450 2.295 50 0 DEAARO Cc1cccc(CN2CC[N@@H+](C/C=C/C(C)C)C[C@@H]2CCO)n1 ZINC000020166404 182193843 /nfs/dbraw/zinc/19/38/43/182193843.db2.gz ZZBYMJUGGYXZDD-UEKDZROGSA-N 1 0 317.477 2.471 50 0 DEAARO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C2)c(F)c1F ZINC000097631984 193741127 /nfs/dbraw/zinc/74/11/27/193741127.db2.gz DSBMTSLHUQOIPJ-LBPRGKRZSA-N 1 0 312.360 2.320 50 0 DEAARO COc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000020549623 182230352 /nfs/dbraw/zinc/23/03/52/182230352.db2.gz GPOXVJBSSAGADL-AWEZNQCLSA-N 1 0 320.433 2.452 50 0 DEAARO CCN(CC[NH+](CC)CC)Cc1nc(-c2ccccn2)no1 ZINC000020906388 182253825 /nfs/dbraw/zinc/25/38/25/182253825.db2.gz ACVDEBIUSBFKOT-UHFFFAOYSA-N 1 0 303.410 2.295 50 0 DEAARO CCCCc1nc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c[nH]1 ZINC000020917998 182253827 /nfs/dbraw/zinc/25/38/27/182253827.db2.gz YYHOEQATSCHPMU-INIZCTEOSA-N 1 0 308.470 2.029 50 0 DEAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(CCOCCO)CC1 ZINC000022455188 182322275 /nfs/dbraw/zinc/32/22/75/182322275.db2.gz AVTYPZOEMRMLSB-SFHVURJKSA-N 1 0 312.498 2.386 50 0 DEAARO NC(=O)c1cccnc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000022977031 182343914 /nfs/dbraw/zinc/34/39/14/182343914.db2.gz KKASGDYCLADPOE-CQSZACIVSA-N 1 0 314.389 2.413 50 0 DEAARO CC[C@@H](c1cccnc1)N(C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159315 182352317 /nfs/dbraw/zinc/35/23/17/182352317.db2.gz CUXJBKVILKOFGB-KRWDZBQOSA-N 1 0 314.437 2.181 50 0 DEAARO COCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000023619919 182364572 /nfs/dbraw/zinc/36/45/72/182364572.db2.gz JVRPWMPHCMVUPQ-SJORKVTESA-N 1 0 302.418 2.146 50 0 DEAARO CCn1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(C)n1 ZINC000039362945 183017527 /nfs/dbraw/zinc/01/75/27/183017527.db2.gz DUIOVZJXLWZXHZ-GOSISDBHSA-N 1 0 320.481 2.023 50 0 DEAARO C[N@H+](CCCc1ccccc1)CC(=O)NC(=O)NC(C)(C)C ZINC000040105860 183035495 /nfs/dbraw/zinc/03/54/95/183035495.db2.gz QMWYKEAIKPGMFH-UHFFFAOYSA-N 1 0 305.422 2.175 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(c(Cl)c1)OCO2 ZINC000040108182 183036116 /nfs/dbraw/zinc/03/61/16/183036116.db2.gz YNEDEAOQHSHDCB-CHWSQXEVSA-N 1 0 322.792 2.425 50 0 DEAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000040541072 183097946 /nfs/dbraw/zinc/09/79/46/183097946.db2.gz JEZARNWMCWQSRS-CQSZACIVSA-N 1 0 318.421 2.231 50 0 DEAARO Cc1nn2c(nc(C[N@H+](C)CC3CCCCC3)cc2=O)s1 ZINC000040549410 183099862 /nfs/dbraw/zinc/09/98/62/183099862.db2.gz OFWLIJKKGZRHQS-UHFFFAOYSA-N 1 0 306.435 2.472 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000040598304 183108075 /nfs/dbraw/zinc/10/80/75/183108075.db2.gz AKVHHNQYMMULHA-SNVBAGLBSA-N 1 0 320.817 2.099 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028025 183157518 /nfs/dbraw/zinc/15/75/18/183157518.db2.gz RDXXPDTZDKRPET-NSHDSACASA-N 1 0 314.227 2.395 50 0 DEAARO Cc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1C ZINC000041362209 183186658 /nfs/dbraw/zinc/18/66/58/183186658.db2.gz PFHIKFVTJSPBTA-UHFFFAOYSA-N 1 0 303.450 2.061 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)o1 ZINC000042501377 183276799 /nfs/dbraw/zinc/27/67/99/183276799.db2.gz HCFOJYWHRLRPRU-CYBMUJFWSA-N 1 0 304.394 2.136 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000043136479 183340634 /nfs/dbraw/zinc/34/06/34/183340634.db2.gz XZOFFMQPXFDDCG-HUUCEWRRSA-N 1 0 321.421 2.237 50 0 DEAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccc(O)cc2)C[C@H]1CCO ZINC000104352332 194001602 /nfs/dbraw/zinc/00/16/02/194001602.db2.gz UQMONCGXMBYCDD-MRXNPFEDSA-N 1 0 306.450 2.307 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2nncs2)C1 ZINC000047497972 183593732 /nfs/dbraw/zinc/59/37/32/183593732.db2.gz HZAHLTNWWSPCIJ-TXEJJXNPSA-N 1 0 311.455 2.418 50 0 DEAARO CS[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000048226674 183628664 /nfs/dbraw/zinc/62/86/64/183628664.db2.gz ILOUYLBMWGVOHC-ZDUSSCGKSA-N 1 0 307.463 2.124 50 0 DEAARO CC1CC[NH+](CCCNC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000048270374 183635176 /nfs/dbraw/zinc/63/51/76/183635176.db2.gz JGWMLBZLYYZZRZ-UHFFFAOYSA-N 1 0 306.454 2.490 50 0 DEAARO COCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000110604467 194341299 /nfs/dbraw/zinc/34/12/99/194341299.db2.gz KBDIYCLCJVBIMI-DOTOQJQBSA-N 1 0 304.434 2.392 50 0 DEAARO O[C@H](C[NH2+]Cc1cccc2c1OCCO2)c1ccccc1F ZINC000058264088 184095345 /nfs/dbraw/zinc/09/53/45/184095345.db2.gz BUSXULFNSWYVBT-OAHLLOKOSA-N 1 0 303.333 2.420 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccccc1-n1cccn1)CN2 ZINC000058299864 184103013 /nfs/dbraw/zinc/10/30/13/184103013.db2.gz AMBQWAAIOWQNMF-OAHLLOKOSA-N 1 0 322.416 2.209 50 0 DEAARO COc1ccccc1CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058313424 184104093 /nfs/dbraw/zinc/10/40/93/184104093.db2.gz HIODQZWHCMJRHU-INIZCTEOSA-N 1 0 302.418 2.325 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000063159791 184275205 /nfs/dbraw/zinc/27/52/05/184275205.db2.gz XMDDFNQCHCGWJR-UHFFFAOYSA-N 1 0 316.854 2.269 50 0 DEAARO COc1ccccc1CNC(=O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000065374074 184330767 /nfs/dbraw/zinc/33/07/67/184330767.db2.gz FNPOIDWYYGDWGI-DLBZAZTESA-N 1 0 310.397 2.457 50 0 DEAARO Cc1c(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)c2cc(O)ccc2n1C ZINC000065382489 184332772 /nfs/dbraw/zinc/33/27/72/184332772.db2.gz PERVIFPOOWJCDX-OLZOCXBDSA-N 1 0 313.401 2.159 50 0 DEAARO CCc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000065408031 184339508 /nfs/dbraw/zinc/33/95/08/184339508.db2.gz GAIBPNLPUGQPNT-KRWDZBQOSA-N 1 0 324.428 2.386 50 0 DEAARO COCC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000065440622 184345627 /nfs/dbraw/zinc/34/56/27/184345627.db2.gz FOZMUYKPPJJZDE-CYBMUJFWSA-N 1 0 311.451 2.173 50 0 DEAARO O=C1CC2(CN1)CC[NH+](Cc1ccc(C(F)(F)F)nc1)CC2 ZINC000065398860 184336421 /nfs/dbraw/zinc/33/64/21/184336421.db2.gz KGOUKDKWBTYMPU-UHFFFAOYSA-N 1 0 313.323 2.203 50 0 DEAARO C[N@@H+]1CCC2(C1)CCN(C(=O)CSc1ccncc1)CC2 ZINC000065404949 184338195 /nfs/dbraw/zinc/33/81/95/184338195.db2.gz GOSLZCZBZIDJQL-UHFFFAOYSA-N 1 0 305.447 2.118 50 0 DEAARO CCNC(=O)c1cccc(NC(=O)C[N@H+](CC2CC2)C2CC2)c1 ZINC000065530101 184360741 /nfs/dbraw/zinc/36/07/41/184360741.db2.gz CSMVFURPWXUIEK-UHFFFAOYSA-N 1 0 315.417 2.249 50 0 DEAARO O=C(Cc1ccc2ccccc2c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000065606466 184371764 /nfs/dbraw/zinc/37/17/64/184371764.db2.gz BLNKRMQBTDWLTD-MOPGFXCFSA-N 1 0 324.424 2.362 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000065624309 184375259 /nfs/dbraw/zinc/37/52/59/184375259.db2.gz NWYPDJWEHLLIQA-CQSZACIVSA-N 1 0 318.339 2.048 50 0 DEAARO COCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625602 184375517 /nfs/dbraw/zinc/37/55/17/184375517.db2.gz BZCRMANFUKWREG-DLBZAZTESA-N 1 0 302.418 2.288 50 0 DEAARO CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C)c1ccccc1 ZINC000299794108 533042917 /nfs/dbraw/zinc/04/29/17/533042917.db2.gz IANZUDNAEGVXMT-HZMVEIRTSA-N 1 0 302.418 2.173 50 0 DEAARO CCCc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)n(C)n1 ZINC000157120912 197164122 /nfs/dbraw/zinc/16/41/22/197164122.db2.gz LIANUAGHPZYMDC-UHFFFAOYSA-N 1 0 317.437 2.241 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000521394645 257241099 /nfs/dbraw/zinc/24/10/99/257241099.db2.gz SQCGNJBWTGJDHC-DOMZBBRYSA-N 1 0 306.454 2.037 50 0 DEAARO O=C(CC[C@H]1CCCO1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000071893345 184891479 /nfs/dbraw/zinc/89/14/79/184891479.db2.gz YDOJWXWSUQAVBZ-MRXNPFEDSA-N 1 0 324.465 2.097 50 0 DEAARO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccnnc2)CC1 ZINC000121543526 195305834 /nfs/dbraw/zinc/30/58/34/195305834.db2.gz WPVFBVPBXCDJCL-UHFFFAOYSA-N 1 0 310.401 2.213 50 0 DEAARO O=C1NCCN1CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000377274634 133324870 /nfs/dbraw/zinc/32/48/70/133324870.db2.gz AYZKQEAMRBEJHW-ZDUSSCGKSA-N 1 0 314.389 2.032 50 0 DEAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(-c3ccccc3C)nc2n1 ZINC000014610463 134521296 /nfs/dbraw/zinc/52/12/96/134521296.db2.gz NXEJAJBZFYVMFB-UHFFFAOYSA-N 1 0 322.416 2.160 50 0 DEAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000003427312 401724405 /nfs/dbraw/zinc/72/44/05/401724405.db2.gz PFOOXWHTLQHLGE-UHFFFAOYSA-N 1 0 317.433 2.338 50 0 DEAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004977527 401728056 /nfs/dbraw/zinc/72/80/56/401728056.db2.gz NQMWLTTWEIOICE-UHFFFAOYSA-N 1 0 310.401 2.362 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000007063714 401736548 /nfs/dbraw/zinc/73/65/48/401736548.db2.gz DZEIYOXEWBWDRQ-DLBZAZTESA-N 1 0 321.461 2.489 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1csc(C)n1 ZINC000071870451 401689761 /nfs/dbraw/zinc/68/97/61/401689761.db2.gz LYOFLFKQJNEIMD-CABCVRRESA-N 1 0 307.463 2.469 50 0 DEAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)c1 ZINC000071875926 401690070 /nfs/dbraw/zinc/69/00/70/401690070.db2.gz MYSXUYSOOXTAIO-AOMKIAJQSA-N 1 0 317.458 2.464 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000000282592 401693325 /nfs/dbraw/zinc/69/33/25/401693325.db2.gz PRLXTWPJLCLSBW-ZDUSSCGKSA-N 1 0 307.390 2.479 50 0 DEAARO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)n1C ZINC000071896791 401693843 /nfs/dbraw/zinc/69/38/43/401693843.db2.gz FPNSAKYCBINUAH-UHFFFAOYSA-N 1 0 319.449 2.098 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)cc1O ZINC000071924572 401698133 /nfs/dbraw/zinc/69/81/33/401698133.db2.gz WGRWMMZTUQWHHR-CHWSQXEVSA-N 1 0 306.406 2.280 50 0 DEAARO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](C)CC2)c(C)c1 ZINC000000536169 401700375 /nfs/dbraw/zinc/70/03/75/401700375.db2.gz PISKNVKYWUKMEF-UHFFFAOYSA-N 1 0 322.416 2.184 50 0 DEAARO Cc1cnn(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000072012763 401701176 /nfs/dbraw/zinc/70/11/76/401701176.db2.gz ABSSHLPFZYOFPU-OAHLLOKOSA-N 1 0 324.428 2.395 50 0 DEAARO CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000072269306 401704750 /nfs/dbraw/zinc/70/47/50/401704750.db2.gz SZIOCDBUAVJAHU-KSZLIROESA-N 1 0 316.445 2.238 50 0 DEAARO NC(=O)c1cccc(CC[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000072275606 401705627 /nfs/dbraw/zinc/70/56/27/401705627.db2.gz CECCMOHEJLETAJ-UHFFFAOYSA-N 1 0 320.396 2.304 50 0 DEAARO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1CCOCC1 ZINC000072281491 401706202 /nfs/dbraw/zinc/70/62/02/401706202.db2.gz DMIFOBGBCWMDKF-INIZCTEOSA-N 1 0 324.490 2.480 50 0 DEAARO COCC[N@@H+]1CCN(Cc2nc(C)c3ccccc3n2)C[C@H]1C ZINC000072279853 401706235 /nfs/dbraw/zinc/70/62/35/401706235.db2.gz IJLILIPWCMXTIG-CQSZACIVSA-N 1 0 314.433 2.091 50 0 DEAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000072300574 401708225 /nfs/dbraw/zinc/70/82/25/401708225.db2.gz LNPAYTCEBZSCFF-RISCZKNCSA-N 1 0 316.854 2.100 50 0 DEAARO COc1ccc(CC[C@H](C)[NH2+]CCCN2CCOCC2)cc1 ZINC000002497781 401714309 /nfs/dbraw/zinc/71/43/09/401714309.db2.gz CFEDHAYTUYQKJQ-INIZCTEOSA-N 1 0 306.450 2.328 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000002686878 401716637 /nfs/dbraw/zinc/71/66/37/401716637.db2.gz BJOXFBGLRLTGIJ-KGLIPLIRSA-N 1 0 307.390 2.420 50 0 DEAARO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(=O)[nH]1 ZINC000075124152 401750256 /nfs/dbraw/zinc/75/02/56/401750256.db2.gz CBNMTSPKHMYBJB-KKUMJFAQSA-N 1 0 317.433 2.161 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cnccn1 ZINC000075142625 401751470 /nfs/dbraw/zinc/75/14/70/401751470.db2.gz UBNNOGYZOQZMBZ-YJBOKZPZSA-N 1 0 324.428 2.459 50 0 DEAARO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CCCCC1 ZINC000008485254 401753345 /nfs/dbraw/zinc/75/33/45/401753345.db2.gz NYZJHJQOSIJICW-UHFFFAOYSA-N 1 0 303.406 2.277 50 0 DEAARO CCNc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000011880132 401777526 /nfs/dbraw/zinc/77/75/26/401777526.db2.gz GTWXVBDZBRRPSX-CQSZACIVSA-N 1 0 304.438 2.221 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CC(C)C)C2=O)c1 ZINC000011999939 401778263 /nfs/dbraw/zinc/77/82/63/401778263.db2.gz GHICUJCZKPFKRQ-SFHVURJKSA-N 1 0 304.434 2.094 50 0 DEAARO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012094454 401778984 /nfs/dbraw/zinc/77/89/84/401778984.db2.gz CKNYAHYCGCYREX-ZDUSSCGKSA-N 1 0 318.446 2.124 50 0 DEAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070237 401780370 /nfs/dbraw/zinc/78/03/70/401780370.db2.gz DPZXGNHMFPOOJI-QWHCGFSZSA-N 1 0 310.467 2.273 50 0 DEAARO CC(C)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197103 401781102 /nfs/dbraw/zinc/78/11/02/401781102.db2.gz IIBOOQKVRWNZLX-AWEZNQCLSA-N 1 0 304.390 2.324 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000076089596 401781724 /nfs/dbraw/zinc/78/17/24/401781724.db2.gz PLJONMZHZSNIIQ-WFASDCNBSA-N 1 0 314.426 2.148 50 0 DEAARO CC[NH+](CC)CC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000012302219 401782959 /nfs/dbraw/zinc/78/29/59/401782959.db2.gz 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/nfs/dbraw/zinc/82/15/06/401821506.db2.gz DMHJRRXEDGRYAG-CQSZACIVSA-N 1 0 316.382 2.178 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(N)=O ZINC000025215830 401832037 /nfs/dbraw/zinc/83/20/37/401832037.db2.gz FWDWQIXEDYOIEP-OIBJUYFYSA-N 1 0 313.810 2.050 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000027584110 401846302 /nfs/dbraw/zinc/84/63/02/401846302.db2.gz IGWKBBZGGKZIPN-INIZCTEOSA-N 1 0 315.417 2.123 50 0 DEAARO CC[N@@H+]1CC[C@H](N(C)c2ncc(Br)cn2)[C@H](C)C1 ZINC000078332784 401847338 /nfs/dbraw/zinc/84/73/38/401847338.db2.gz XACZYYVGJUCUPY-PWSUYJOCSA-N 1 0 313.243 2.406 50 0 DEAARO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000078553422 401855712 /nfs/dbraw/zinc/85/57/12/401855712.db2.gz RVPJLZZPAACKPX-UHFFFAOYSA-N 1 0 304.415 2.026 50 0 DEAARO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000029912929 401860106 /nfs/dbraw/zinc/86/01/06/401860106.db2.gz OXVKUHWEPSTQMB-UHFFFAOYSA-N 1 0 319.796 2.344 50 0 DEAARO COc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000030363334 401862855 /nfs/dbraw/zinc/86/28/55/401862855.db2.gz NMPVHYGJKDCWGU-UHFFFAOYSA-N 1 0 310.397 2.483 50 0 DEAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000030909696 401867024 /nfs/dbraw/zinc/86/70/24/401867024.db2.gz NRSCLEIIMBNDCL-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO c1cnc(N2CCC([C@@H]3CC[N@@H+](C4CCOCC4)C3)CC2)nc1 ZINC000015063331 401815404 /nfs/dbraw/zinc/81/54/04/401815404.db2.gz LLZZBNLFNCSTDW-MRXNPFEDSA-N 1 0 316.449 2.194 50 0 DEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3CCC3)cc2)CC1 ZINC000040538572 401925944 /nfs/dbraw/zinc/92/59/44/401925944.db2.gz VLMZXXRARWJXCY-UHFFFAOYSA-N 1 0 315.461 2.240 50 0 DEAARO Cc1cc(F)ccc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000132955312 401876785 /nfs/dbraw/zinc/87/67/85/401876785.db2.gz KQHYLTVBPMXWNP-UHFFFAOYSA-N 1 0 321.440 2.138 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C(C)(C)CO ZINC000032682367 401881651 /nfs/dbraw/zinc/88/16/51/401881651.db2.gz NTFAXZBUDBIZAF-HNNXBMFYSA-N 1 0 309.450 2.393 50 0 DEAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1-n1cnc2cccnc21 ZINC000032931904 401886707 /nfs/dbraw/zinc/88/67/07/401886707.db2.gz WNGZJQALKSUNFV-UHFFFAOYSA-N 1 0 323.400 2.020 50 0 DEAARO COc1cccc(-c2nc(C(=O)NCC[NH+](C)C)cs2)c1 ZINC000034712690 401893823 /nfs/dbraw/zinc/89/38/23/401893823.db2.gz SVNUBTZJCPHJCG-UHFFFAOYSA-N 1 0 305.403 2.110 50 0 DEAARO Cc1cccc([C@@H]2CCC[N@@H+]2CCCOC(=O)NC(N)=O)c1 ZINC000084210700 401903478 /nfs/dbraw/zinc/90/34/78/401903478.db2.gz SNQVWTQAPYLCIO-AWEZNQCLSA-N 1 0 305.378 2.327 50 0 DEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2c1CCCC2 ZINC000085876415 401919764 /nfs/dbraw/zinc/91/97/64/401919764.db2.gz OUDKAHUINJKWAO-XJKSGUPXSA-N 1 0 316.449 2.283 50 0 biogenic DEAARO Clc1ccc2[nH]c(-c3cn(C4CC[NH2+]CC4)nn3)nc2c1 ZINC000091594686 401997419 /nfs/dbraw/zinc/99/74/19/401997419.db2.gz WGUFXLICPRMSBA-UHFFFAOYSA-N 1 0 302.769 2.399 50 0 DEAARO COc1ccc(C[C@](C)([NH3+])CNc2cc(Cl)nc(N)n2)cc1 ZINC000089904145 401972801 /nfs/dbraw/zinc/97/28/01/401972801.db2.gz DSSDQJOQLGZWMK-HNNXBMFYSA-N 1 0 321.812 2.093 50 0 DEAARO C[C@H](c1ccccn1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089924878 401973458 /nfs/dbraw/zinc/97/34/58/401973458.db2.gz BOAJOSWUFWJHLX-CZUORRHYSA-N 1 0 300.406 2.322 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000048236273 401995994 /nfs/dbraw/zinc/99/59/94/401995994.db2.gz RTCYCUNUGQTENB-BXUZGUMPSA-N 1 0 300.362 2.026 50 0 DEAARO C[N@H+](CCN1CCOC1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089346206 401942904 /nfs/dbraw/zinc/94/29/04/401942904.db2.gz WCHUOWLGRCPJSY-MRXNPFEDSA-N 1 0 303.406 2.039 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000044891257 401949137 /nfs/dbraw/zinc/94/91/37/401949137.db2.gz WKHLIHQYJHDRNM-XQQFMLRXSA-N 1 0 311.451 2.170 50 0 DEAARO C[C@H]1NC(=O)N(C[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1=O ZINC000048278844 401997205 /nfs/dbraw/zinc/99/72/05/401997205.db2.gz GOILWCPFVKQDID-BXUZGUMPSA-N 1 0 321.808 2.417 50 0 DEAARO O=C(Cc1cccc(Br)c1)NCC1CC[NH2+]CC1 ZINC000050041933 402024313 /nfs/dbraw/zinc/02/43/13/402024313.db2.gz JGYMXCUBQWCFCQ-UHFFFAOYSA-N 1 0 311.223 2.107 50 0 DEAARO COCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095353325 402026642 /nfs/dbraw/zinc/02/66/42/402026642.db2.gz VBYBSUDWWZVTBP-BHIYHBOVSA-N 1 0 314.429 2.030 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)c2nncn2C(C)C)CC1 ZINC000095367004 402028550 /nfs/dbraw/zinc/02/85/50/402028550.db2.gz MEICPUMODZOWCY-ZDUSSCGKSA-N 1 0 307.442 2.158 50 0 DEAARO CN(Cc1ncc[nH]1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095374576 402029910 /nfs/dbraw/zinc/02/99/10/402029910.db2.gz VHSRMRKLEIOLTM-UHFFFAOYSA-N 1 0 304.438 2.413 50 0 DEAARO CC1CC[NH+](C[C@H](O)COc2ccccc2-c2nnco2)CC1 ZINC000095439088 402033371 /nfs/dbraw/zinc/03/33/71/402033371.db2.gz BANYZBMTQIEDCQ-AWEZNQCLSA-N 1 0 317.389 2.208 50 0 DEAARO O=C(Nc1ncccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000095952953 402036143 /nfs/dbraw/zinc/03/61/43/402036143.db2.gz UHDUFVZHCOTDMX-UHFFFAOYSA-N 1 0 310.401 2.370 50 0 DEAARO O=C(Nc1ncccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000095952951 402036190 /nfs/dbraw/zinc/03/61/90/402036190.db2.gz ZFVNVVHDBWGODX-UHFFFAOYSA-N 1 0 314.364 2.466 50 0 DEAARO Cc1noc(C)c1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000095955223 402036881 /nfs/dbraw/zinc/03/68/81/402036881.db2.gz QOCLWXHONPGQQC-UHFFFAOYSA-N 1 0 316.405 2.352 50 0 DEAARO CN(Cc1cccc(OCC[NH+](C)C)c1)c1ncc(F)cn1 ZINC000095972397 402039124 /nfs/dbraw/zinc/03/91/24/402039124.db2.gz FKNZUWVFTZISHH-UHFFFAOYSA-N 1 0 304.369 2.193 50 0 DEAARO C[C@@H](c1cccs1)[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000052283218 402041573 /nfs/dbraw/zinc/04/15/73/402041573.db2.gz SRYHLRFQEPHUGC-NSHDSACASA-N 1 0 309.435 2.461 50 0 DEAARO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)O1 ZINC000095985161 402042482 /nfs/dbraw/zinc/04/24/82/402042482.db2.gz FFKVEEQUKSSWAT-CFVMTHIKSA-N 1 0 320.458 2.449 50 0 DEAARO CC[C@H]1CCC[C@H](C[NH2+]CC2(S(C)(=O)=O)CCOCC2)C1 ZINC000096010143 402046743 /nfs/dbraw/zinc/04/67/43/402046743.db2.gz ZHWCWZXBUNOAOA-GJZGRUSLSA-N 1 0 317.495 2.386 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCCC2)cc1 ZINC000053945966 402060676 /nfs/dbraw/zinc/06/06/76/402060676.db2.gz CYZQNMHMIUOPES-UHFFFAOYSA-N 1 0 300.406 2.271 50 0 DEAARO Cc1nonc1OCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055088490 402075686 /nfs/dbraw/zinc/07/56/86/402075686.db2.gz SBTNZHMQDJHVJR-UHFFFAOYSA-N 1 0 317.324 2.076 50 0 DEAARO C[C@@](CO)([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000096420059 402081995 /nfs/dbraw/zinc/08/19/95/402081995.db2.gz BYSSDDZDBJBFRO-JSGCOSHPSA-N 1 0 322.371 2.071 50 0 DEAARO CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421507 402082521 /nfs/dbraw/zinc/08/25/21/402082521.db2.gz VPEVIOBGWRHLJO-MWDXBVQZSA-N 1 0 323.481 2.173 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)c1nccn1C)c1ccccc1 ZINC000096421321 402082617 /nfs/dbraw/zinc/08/26/17/402082617.db2.gz HIVWHTOZMRFXBS-OAHLLOKOSA-N 1 0 300.406 2.233 50 0 DEAARO FC(F)(F)c1cccc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000096429715 402085306 /nfs/dbraw/zinc/08/53/06/402085306.db2.gz RRZBTZCMHVSIPP-GFCCVEGCSA-N 1 0 315.339 2.259 50 0 DEAARO Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000096454421 402090761 /nfs/dbraw/zinc/09/07/61/402090761.db2.gz HOZQWXDDILSELI-SUMWQHHRSA-N 1 0 312.417 2.359 50 0 DEAARO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000096487179 402095000 /nfs/dbraw/zinc/09/50/00/402095000.db2.gz UEFHDJIXVOGWSA-WMLDXEAASA-N 1 0 302.418 2.195 50 0 DEAARO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000096491654 402096063 /nfs/dbraw/zinc/09/60/63/402096063.db2.gz UNWWRLYPZQYZPA-DOTOQJQBSA-N 1 0 323.458 2.109 50 0 DEAARO NC(=O)C1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCOCC1 ZINC000096491570 402096089 /nfs/dbraw/zinc/09/60/89/402096089.db2.gz CUHFCIJDZHNDJK-OAHLLOKOSA-N 1 0 306.381 2.075 50 0 DEAARO CCCC[C@@H]([NH3+])C(=O)N1CCC(Cn2nc(C)cc2C)CC1 ZINC000096499704 402097120 /nfs/dbraw/zinc/09/71/20/402097120.db2.gz RCHFFWHMLRAQGS-MRXNPFEDSA-N 1 0 306.454 2.256 50 0 DEAARO 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O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)NC1CCCC1 ZINC000069924002 402251631 /nfs/dbraw/zinc/25/16/31/402251631.db2.gz ZHWNNQYGXYWCCZ-UHFFFAOYSA-N 1 0 320.408 2.480 50 0 DEAARO Cc1cnn(CC[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)c1 ZINC000069979252 402254105 /nfs/dbraw/zinc/25/41/05/402254105.db2.gz XEWVNTXKBGLQCN-QGZVFWFLSA-N 1 0 317.433 2.146 50 0 DEAARO Cc1cnn(CC[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)c1 ZINC000070011516 402255158 /nfs/dbraw/zinc/25/51/58/402255158.db2.gz GOVZJJPUWZMKSO-UHFFFAOYSA-N 1 0 314.433 2.367 50 0 DEAARO Cc1ccsc1C[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000070020523 402255725 /nfs/dbraw/zinc/25/57/25/402255725.db2.gz GMERZTXYYUGRHM-UHFFFAOYSA-N 1 0 321.446 2.353 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000226280291 402326530 /nfs/dbraw/zinc/32/65/30/402326530.db2.gz YUJGFOMUODTGJI-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000195573385 402273636 /nfs/dbraw/zinc/27/36/36/402273636.db2.gz CQRABSFCCGZJJX-CZUORRHYSA-N 1 0 308.397 2.156 50 0 DEAARO C[N@@H+](Cc1cccc2nonc21)C[C@H]1COc2ccccc2O1 ZINC000215279325 402282275 /nfs/dbraw/zinc/28/22/75/402282275.db2.gz DNLVHEHCCGCITC-ZDUSSCGKSA-N 1 0 311.341 2.495 50 0 DEAARO O=C(Cn1ccnc1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000216121475 402287098 /nfs/dbraw/zinc/28/70/98/402287098.db2.gz PXKOYAHZTDIYRC-QGZVFWFLSA-N 1 0 312.417 2.227 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000216292347 402287811 /nfs/dbraw/zinc/28/78/11/402287811.db2.gz CAMUVIUTNCXFAW-KRWDZBQOSA-N 1 0 316.445 2.371 50 0 DEAARO O=C(C1CCC([NH2+]Cc2ccncc2)CC1)N1CCSCC1 ZINC000071854235 402288192 /nfs/dbraw/zinc/28/81/92/402288192.db2.gz HBMFJJUMYWSRNC-UHFFFAOYSA-N 1 0 319.474 2.305 50 0 DEAARO Cc1cnc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000071851404 402288358 /nfs/dbraw/zinc/28/83/58/402288358.db2.gz CSZUXDDJHORYNR-KRWDZBQOSA-N 1 0 310.401 2.352 50 0 DEAARO COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1OC)OCCCO2 ZINC000216332074 402288844 /nfs/dbraw/zinc/28/88/44/402288844.db2.gz 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CN(CC[N@H+](C)C1CCCC1)c1cc([C@H]2C[C@@H](O)C2)ncn1 ZINC000243956708 402447128 /nfs/dbraw/zinc/44/71/28/402447128.db2.gz CCJPIWSQAWLGTK-OTVXOJSOSA-N 1 0 304.438 2.026 50 0 DEAARO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000245343853 402453182 /nfs/dbraw/zinc/45/31/82/402453182.db2.gz WCAKSJADHQNCDX-UILAEWCASA-N 1 0 308.447 2.261 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[NH2+]CC1 ZINC000178359506 402489116 /nfs/dbraw/zinc/48/91/16/402489116.db2.gz VDSIFTFSEQFSJR-UHFFFAOYSA-N 1 0 318.808 2.270 50 0 DEAARO COc1ccc([C@@H]2[C@@H]([NH3+])[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000169619926 402501568 /nfs/dbraw/zinc/50/15/68/402501568.db2.gz QAKWCDKFQTULHZ-GVDBMIGSSA-N 1 0 321.384 2.370 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000170593134 402506133 /nfs/dbraw/zinc/50/61/33/402506133.db2.gz DHOUJBFXYYHDSP-CJNGLKHVSA-N 1 0 300.406 2.092 50 0 DEAARO Cc1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1O ZINC000170604270 402506333 /nfs/dbraw/zinc/50/63/33/402506333.db2.gz 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O[C@H](Cn1cccn1)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000253416671 402664484 /nfs/dbraw/zinc/66/44/84/402664484.db2.gz MQDOOQYQWNVUFZ-HNNXBMFYSA-N 1 0 321.371 2.402 50 0 DEAARO COCCn1cc(C[NH2+]Cc2ccc([Si](C)(C)C)cc2)cn1 ZINC000253430384 402666344 /nfs/dbraw/zinc/66/63/44/402666344.db2.gz QNELYISXVZVZLY-UHFFFAOYSA-N 1 0 317.509 2.365 50 0 DEAARO C[C@@H]1C[NH+](CCC2CCN(c3ncc(F)cn3)CC2)C[C@@H](C)O1 ZINC000253432668 402667224 /nfs/dbraw/zinc/66/72/24/402667224.db2.gz MHEUNQYJEXDNCF-ZIAGYGMSSA-N 1 0 322.428 2.331 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)[C@@H]1C[NH3+] ZINC000254950486 402672752 /nfs/dbraw/zinc/67/27/52/402672752.db2.gz GGEUMBACVIOAAL-BBUPELFUSA-N 1 0 316.401 2.057 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000255045209 402676279 /nfs/dbraw/zinc/67/62/79/402676279.db2.gz UKDAWDUEXSQQQP-HIINFBLBSA-N 1 0 316.401 2.057 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000182391708 402686103 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CN(Cc1ncc[nH]1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299767793 403569553 /nfs/dbraw/zinc/56/95/53/403569553.db2.gz KKYLKAGYJICHCU-UHFFFAOYSA-N 1 0 300.406 2.173 50 0 DEAARO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C1 ZINC000299770812 403570792 /nfs/dbraw/zinc/57/07/92/403570792.db2.gz MUQFKJROBYZEQC-SNVBAGLBSA-N 1 0 319.792 2.162 50 0 DEAARO Cc1cc2nc(CNC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)[nH]c2cc1C ZINC000299795596 403576810 /nfs/dbraw/zinc/57/68/10/403576810.db2.gz NDMDENFGQHVCOW-KGLIPLIRSA-N 1 0 312.417 2.280 50 0 DEAARO CN(C)Cc1cnc(C[NH2+]C[C@@](C)(CO)c2ccccc2)s1 ZINC000342199241 404438286 /nfs/dbraw/zinc/43/82/86/404438286.db2.gz DTFIZVQFJAAOOF-KRWDZBQOSA-N 1 0 319.474 2.245 50 0 DEAARO Cc1ncoc1C(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000330184431 404576289 /nfs/dbraw/zinc/57/62/89/404576289.db2.gz QTFUFDRMOUGDMN-UHFFFAOYSA-N 1 0 301.346 2.370 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)CC2 ZINC000330186859 404578830 /nfs/dbraw/zinc/57/88/30/404578830.db2.gz KAJUVHOSFRTCBP-UPJWGTAASA-N 1 0 324.494 2.249 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 ZINC000568274511 292328900 /nfs/dbraw/zinc/32/89/00/292328900.db2.gz GZPUICBTPMHAKC-CQSZACIVSA-N 1 0 303.406 2.356 50 0 DEAARO COc1ccc(-c2cncc(C[NH+](C)C)n2)c(OC)c1OC ZINC000426411298 405358018 /nfs/dbraw/zinc/35/80/18/405358018.db2.gz MBMTUDZPSRMXQS-UHFFFAOYSA-N 1 0 303.362 2.231 50 0 DEAARO C[C@@H](c1ccc(-c2n[nH]c(C(=O)N(C)C)n2)cc1)[NH+]1CCCC1 ZINC000426405096 405358254 /nfs/dbraw/zinc/35/82/54/405358254.db2.gz GDCGCDXVIYEHED-LBPRGKRZSA-N 1 0 313.405 2.330 50 0 DEAARO O=C(c1ccc(-c2ncccn2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426414530 405358934 /nfs/dbraw/zinc/35/89/34/405358934.db2.gz HRDIOVCIFICSPC-MRXNPFEDSA-N 1 0 308.385 2.064 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)NCc2ncc(Cl)cn2)cc1 ZINC000426361377 405354193 /nfs/dbraw/zinc/35/41/93/405354193.db2.gz TUJKGNMSUUKOII-UHFFFAOYSA-N 1 0 304.781 2.122 50 0 DEAARO O=C(N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(Cl)cn2)cc1 ZINC000426548563 405368467 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ZINC000575617097 406814433 /nfs/dbraw/zinc/81/44/33/406814433.db2.gz YGJUBVGYLLGRQR-DKFQHHCZSA-N 1 0 314.429 2.317 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000132684706 196275916 /nfs/dbraw/zinc/27/59/16/196275916.db2.gz PUAMCGIMLCLYRN-LLVKDONJSA-N 1 0 324.306 2.064 50 0 DEAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000299746859 229388235 /nfs/dbraw/zinc/38/82/35/229388235.db2.gz BKSIOSDGWHPWRD-WSFZALMZSA-N 1 0 321.179 2.033 50 0 DEAARO Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000047104779 424823294 /nfs/dbraw/zinc/82/32/94/424823294.db2.gz WYOFOCMXEVQCFM-ZNMIVQPWSA-N 1 0 318.421 2.456 50 0 DEAARO CC(=O)c1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000046997962 424823346 /nfs/dbraw/zinc/82/33/46/424823346.db2.gz YNBUTMPBUJLDIQ-DLBZAZTESA-N 1 0 316.401 2.011 50 0 DEAARO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC2(CC1)OCCO2 ZINC000047496685 424826174 /nfs/dbraw/zinc/82/61/74/424826174.db2.gz DIZYSUQVDMSXTP-SOUVJXGZSA-N 1 0 310.438 2.003 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1C ZINC000048260489 424830988 /nfs/dbraw/zinc/83/09/88/424830988.db2.gz RYIRHFOYGXHRRS-OAHLLOKOSA-N 1 0 320.462 2.497 50 0 DEAARO CCc1noc(CN2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000044917987 424814511 /nfs/dbraw/zinc/81/45/11/424814511.db2.gz YKDGGMZAZTTXCL-UHFFFAOYSA-N 1 0 306.435 2.401 50 0 DEAARO CC(C)c1nnc(NC(=O)N2CCC(C[NH+](C)C)CC2)s1 ZINC000044972489 424815496 /nfs/dbraw/zinc/81/54/96/424815496.db2.gz KDFXHSWNUJUOOU-UHFFFAOYSA-N 1 0 311.455 2.467 50 0 DEAARO C[NH+](C)CCCNC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000049992770 424837496 /nfs/dbraw/zinc/83/74/96/424837496.db2.gz OUWYMZOIYVXBHJ-UHFFFAOYSA-N 1 0 306.797 2.207 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C\c2ccco2)cn1 ZINC000103670425 424848625 /nfs/dbraw/zinc/84/86/25/424848625.db2.gz ZPKFCYREADGAED-FPLPWBNLSA-N 1 0 302.378 2.470 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000107504694 424849830 /nfs/dbraw/zinc/84/98/30/424849830.db2.gz WQMVKXFSGSUEJP-BNOWGMLFSA-N 1 0 308.426 2.491 50 0 DEAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000108355380 424851035 /nfs/dbraw/zinc/85/10/35/424851035.db2.gz GAZOWKBLCQQIGJ-GOEBONIOSA-N 1 0 303.450 2.011 50 0 DEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccco1 ZINC000216067091 424884759 /nfs/dbraw/zinc/88/47/59/424884759.db2.gz UZNLMUBVWOZCGK-HNNXBMFYSA-N 1 0 312.369 2.101 50 0 DEAARO COc1c(C)cnc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000067226555 274088666 /nfs/dbraw/zinc/08/86/66/274088666.db2.gz RUCZHZYFLDDGMK-MRXNPFEDSA-N 1 0 319.449 2.004 50 0 DEAARO COc1c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(C)C)nn1C ZINC000229306732 274089439 /nfs/dbraw/zinc/08/94/39/274089439.db2.gz MVSYIVHMZHCGGZ-GJZGRUSLSA-N 1 0 306.454 2.269 50 0 DEAARO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C(=O)N(C)C ZINC000048713036 274253277 /nfs/dbraw/zinc/25/32/77/274253277.db2.gz KUEBQHDLTRUFQQ-LLVKDONJSA-N 1 0 306.797 2.092 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H]1COc3ccccc3C1)CN2 ZINC000065517688 274729738 /nfs/dbraw/zinc/72/97/38/274729738.db2.gz XPZAPOUUZWOCOT-CABCVRRESA-N 1 0 312.417 2.074 50 0 DEAARO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](C4CC4)CC3)c12 ZINC000065411547 275077523 /nfs/dbraw/zinc/07/75/23/275077523.db2.gz HALLSBHKZVXRCN-UHFFFAOYSA-N 1 0 320.400 2.100 50 0 DEAARO CCOC(=O)[C@@H]1C[C@]2(c3cccc(C)c3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000055243662 276289480 /nfs/dbraw/zinc/28/94/80/276289480.db2.gz DZKLHXXOODGCMW-RVZJWNSFSA-N 1 0 314.385 2.190 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000096415015 277034531 /nfs/dbraw/zinc/03/45/31/277034531.db2.gz RIFAMXIPNDJRAK-AWEZNQCLSA-N 1 0 314.451 2.444 50 0 DEAARO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2O)[C@@H]1c1ccccc1 ZINC000185733284 277167312 /nfs/dbraw/zinc/16/73/12/277167312.db2.gz WGSYHLNFTVLWCC-TWMKSMIVSA-N 1 0 317.433 2.035 50 0 DEAARO CC[N@H+](C)C1(CNC(=O)c2c(C)cc(C)[nH]c2=O)CCCCC1 ZINC000091469075 279029352 /nfs/dbraw/zinc/02/93/52/279029352.db2.gz ASVVAKMOEMRRLS-UHFFFAOYSA-N 1 0 319.449 2.376 50 0 DEAARO C[C@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000058323649 279217905 /nfs/dbraw/zinc/21/79/05/279217905.db2.gz IIEPKIBFJUESNU-CYBMUJFWSA-N 1 0 311.385 2.369 50 0 DEAARO Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4[NH3+])c2ccccc2n1C ZINC000019331432 280223903 /nfs/dbraw/zinc/22/39/03/280223903.db2.gz CUHPYVYJLCCGIY-UHFFFAOYSA-N 1 0 324.472 2.470 50 0 biogenic DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000493264290 288703365 /nfs/dbraw/zinc/70/33/65/288703365.db2.gz UVCWSZCUYVEOJJ-TZPOZWHTSA-N 1 0 310.401 2.224 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131784286 297408047 /nfs/dbraw/zinc/40/80/47/297408047.db2.gz ZBRWRZYPNVIZGJ-PSASIEDQSA-N 1 0 323.245 2.494 50 0 DEAARO CN(Cc1ccc(OC(F)F)cc1)c1cc[nH+]cc1C(N)=O ZINC000188146826 333038061 /nfs/dbraw/zinc/03/80/61/333038061.db2.gz OKVTUZXQICTESW-UHFFFAOYSA-N 1 0 307.300 2.418 50 0 DEAARO CC[NH+](CC)CC1(NC(=O)c2cccc3c2CCC3=O)CC1 ZINC000534578291 334288377 /nfs/dbraw/zinc/28/83/77/334288377.db2.gz DBGHROMXEHJUQY-UHFFFAOYSA-N 1 0 300.402 2.420 50 0 DEAARO C[C@H](c1ccncn1)N(C)C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000534590038 334293660 /nfs/dbraw/zinc/29/36/60/334293660.db2.gz GWHDNSYOYQLLFZ-CQSZACIVSA-N 1 0 317.437 2.198 50 0 DEAARO CC[C@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC000534589957 334293882 /nfs/dbraw/zinc/29/38/82/334293882.db2.gz JVDDCKKHFPGIRJ-MRXNPFEDSA-N 1 0 319.449 2.020 50 0 DEAARO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)nn1C ZINC000534652001 334312304 /nfs/dbraw/zinc/31/23/04/334312304.db2.gz DKPNKATZKLITSQ-CQSZACIVSA-N 1 0 304.438 2.113 50 0 DEAARO C[N@@H+]1CCCC[C@H]1C(=O)NC1(c2ccccc2)CCOCC1 ZINC000534658886 334315060 /nfs/dbraw/zinc/31/50/60/334315060.db2.gz JDDKQMBWOGYZOR-INIZCTEOSA-N 1 0 302.418 2.293 50 0 DEAARO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 ZINC000097231044 337382453 /nfs/dbraw/zinc/38/24/53/337382453.db2.gz PKTZSDFROHCWKR-RISCZKNCSA-N 1 0 302.340 2.466 50 0 DEAARO C[N@@H+]1CCCN(c2ncccc2CNCc2ccoc2)CC1 ZINC000012440737 523812995 /nfs/dbraw/zinc/81/29/95/523812995.db2.gz YIMWVEREAIKGBY-UHFFFAOYSA-N 1 0 300.406 2.106 50 0 DEAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000339101553 524601669 /nfs/dbraw/zinc/60/16/69/524601669.db2.gz ADTLKDJIHKCRSM-RTXFEEFZSA-N 1 0 304.394 2.287 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000237693918 534801960 /nfs/dbraw/zinc/80/19/60/534801960.db2.gz QCCPPUOAZNBNAM-RDJZCZTQSA-N 1 0 316.445 2.287 50 0 DEAARO CCCN(CCC)C(=O)COC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525693 528045201 /nfs/dbraw/zinc/04/52/01/528045201.db2.gz VBBRJIDPPNVLFO-AWEZNQCLSA-N 1 0 300.443 2.189 50 0 DEAARO CC[NH+]1CCN(c2cc(C)nc3nc(-c4ccccc4)nn32)CC1 ZINC000014610187 535743282 /nfs/dbraw/zinc/74/32/82/535743282.db2.gz XWCZJKKXSGVKIQ-UHFFFAOYSA-N 1 0 322.416 2.242 50 0 DEAARO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000011753444 635741858 /nfs/dbraw/zinc/74/18/58/635741858.db2.gz HNPLSBUMFLPEND-SFHVURJKSA-N 1 0 320.408 2.021 50 0 DEAARO CC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000011784123 635772457 /nfs/dbraw/zinc/77/24/57/635772457.db2.gz MLGQYKBKBZKYOR-QGZVFWFLSA-N 1 0 320.408 2.475 50 0 DEAARO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+](C)CC(C)C)C2=O)c1 ZINC000012578271 636063122 /nfs/dbraw/zinc/06/31/22/636063122.db2.gz IJQLBOBEDORSAV-LJQANCHMSA-N 1 0 318.461 2.436 50 0 DEAARO COCC[NH2+]CC[C@H]1CCC(=O)N1Cc1ccc(C)c(F)c1 ZINC000012280049 636092332 /nfs/dbraw/zinc/09/23/32/636092332.db2.gz VYPJHPLBXFGSNE-OAHLLOKOSA-N 1 0 308.397 2.251 50 0 DEAARO C[C@H]([NH3+])[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817145 639064292 /nfs/dbraw/zinc/06/42/92/639064292.db2.gz BIHVFGBJLBCGCW-QGZVFWFLSA-N 1 0 303.481 2.043 50 0 DEAARO C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000095442860 641170343 /nfs/dbraw/zinc/17/03/43/641170343.db2.gz JRERFFKXMBOSBJ-QSOAKEGCSA-N 1 0 321.852 2.105 50 0 DEAARO O=C(NC1Cc2ccccc2C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184924763 649407622 /nfs/dbraw/zinc/40/76/22/649407622.db2.gz IISWKYWFWSJTQE-GOSISDBHSA-N 1 0 313.445 2.424 50 0 DEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 ZINC000014538863 683848501 /nfs/dbraw/zinc/84/85/01/683848501.db2.gz MWUZQGZYJBERRY-AWEZNQCLSA-N 1 0 318.465 2.384 50 0 DEAARO COc1ncc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071748275 683927316 /nfs/dbraw/zinc/92/73/16/683927316.db2.gz PCKKBIJOAGLLDJ-KRWDZBQOSA-N 1 0 318.465 2.428 50 0 DEAARO COc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1F ZINC000104729806 684059509 /nfs/dbraw/zinc/05/95/09/684059509.db2.gz IEOQIUNYQIMRDW-UHFFFAOYSA-N 1 0 306.381 2.421 50 0 DEAARO CCOc1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000112275825 684061493 /nfs/dbraw/zinc/06/14/93/684061493.db2.gz WTSBVVQPOVTIOF-UHFFFAOYSA-N 1 0 323.824 2.302 50 0 DEAARO C[NH+](C)CC1CCC(NC(=O)c2cccc3c2OCO3)CC1 ZINC000129599877 684180275 /nfs/dbraw/zinc/18/02/75/684180275.db2.gz CAAIDFXYMZKDBZ-UHFFFAOYSA-N 1 0 304.390 2.266 50 0 DEAARO Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC2(O)CCOCC2)s1 ZINC000189757966 684388216 /nfs/dbraw/zinc/38/82/16/684388216.db2.gz JYIWMQOINZJVRG-UHFFFAOYSA-N 1 0 324.368 2.444 50 0 DEAARO CN1C[C@]2(C)C[NH+](CCC(=O)Nc3cccc(F)c3)C[C@@]2(C)C1 ZINC000863950330 686599858 /nfs/dbraw/zinc/59/98/58/686599858.db2.gz MQVNZLGBQBISTG-QZTJIDSGSA-N 1 0 319.424 2.428 50 0 DEAARO CCc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000585120827 790316569 /nfs/dbraw/zinc/31/65/69/790316569.db2.gz NZPZNCYWMYJIPB-GOSISDBHSA-N 1 0 318.461 2.037 50 0 DEAARO CC(C)[NH+]1CCN(CCCC(=O)NCc2cccs2)CC1 ZINC000585135433 790329167 /nfs/dbraw/zinc/32/91/67/790329167.db2.gz JTGWVFRRBHMFEJ-UHFFFAOYSA-N 1 0 309.479 2.171 50 0 DEAARO CC(C)CNC(=O)[C@@H]1OCCN(C2CC2)[C@H]1c1ccccc1 ZINC000675010549 778331783 /nfs/dbraw/zinc/33/17/83/778331783.db2.gz JJZTXNMOVXJENK-DLBZAZTESA-N 1 0 302.418 2.363 50 0 DEAARO NC(=O)c1ccnc(NCC2([NH+]3CCCCC3)CCCC2)c1 ZINC000826848987 783661526 /nfs/dbraw/zinc/66/15/26/783661526.db2.gz LTDHFYYMCUCRKG-UHFFFAOYSA-N 1 0 302.422 2.391 50 0 DEAARO CC(C)(CN1CCN2C(=O)OC[C@H]2C1)C[NH+]1CCCCCC1 ZINC000828322938 783792080 /nfs/dbraw/zinc/79/20/80/783792080.db2.gz RXZVULFIOOVPEN-OAHLLOKOSA-N 1 0 309.454 2.025 50 0 DEAARO O[C@@H]1CCC[N@H+](CCCNc2cccc(C(F)(F)F)n2)C1 ZINC000828627339 783830526 /nfs/dbraw/zinc/83/05/26/783830526.db2.gz BHIADOHXJSJSHC-LLVKDONJSA-N 1 0 303.328 2.359 50 0 DEAARO CC[C@H](CO)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000584908793 789635272 /nfs/dbraw/zinc/63/52/72/789635272.db2.gz DPXHIMNXXJZTIZ-NVXWUHKLSA-N 1 0 304.434 2.128 50 0 DEAARO O=C(/C=C/c1ccc2c(c1)CCO2)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000585089456 789690683 /nfs/dbraw/zinc/69/06/83/789690683.db2.gz NVKHFNOKJFNQJR-INDMPGQXSA-N 1 0 312.413 2.378 50 0 DEAARO C[C@H](Cn1cccn1)C(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000952869503 792786420 /nfs/dbraw/zinc/78/64/20/792786420.db2.gz MOLHPWDUUITLHB-MRXNPFEDSA-N 1 0 318.465 2.386 50 0 DEAARO CCOc1ccc2nc(C[N@H+](C)[C@H](C)CC(N)=O)ccc2c1 ZINC000952872128 792788851 /nfs/dbraw/zinc/78/88/51/792788851.db2.gz KKUWSPBRMASORS-GFCCVEGCSA-N 1 0 301.390 2.329 50 0 DEAARO O=C(NC[C@@H]1CCCN(c2cc[nH+]cc2)C1)c1cscn1 ZINC000952986320 792866864 /nfs/dbraw/zinc/86/68/64/792866864.db2.gz FIBZVFKCCLVRNQ-LBPRGKRZSA-N 1 0 302.403 2.185 50 0 DEAARO C[C@@H](CN(C)CCO)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000952989399 792870007 /nfs/dbraw/zinc/87/00/07/792870007.db2.gz VDCLSEGFFNKVSB-KRWDZBQOSA-N 1 0 311.514 2.077 50 0 DEAARO CCNC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC001529178196 1070902295 /nfs/dbraw/zinc/90/22/95/1070902295.db2.gz KJTGNSYQRKQCDD-CYBMUJFWSA-N 1 0 302.378 2.139 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC001506399604 1061939949 /nfs/dbraw/zinc/93/99/49/1061939949.db2.gz OYZWGXFAPJZWIY-MRXNPFEDSA-N 1 0 323.387 2.192 50 0 DEAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3F)s2)C1 ZINC001506401376 1061943892 /nfs/dbraw/zinc/94/38/92/1061943892.db2.gz QKWBKOZLDOXSMT-SNVBAGLBSA-N 1 0 323.393 2.342 50 0 DEAARO Cc1cc(C)n2ncc(C[NH2+]CCCc3csc(N)n3)c2n1 ZINC001506421339 1061964947 /nfs/dbraw/zinc/96/49/47/1061964947.db2.gz OTQPNVKLKKVANB-UHFFFAOYSA-N 1 0 316.434 2.107 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1cccc2cccnc21 ZINC001506421755 1061966686 /nfs/dbraw/zinc/96/66/86/1061966686.db2.gz VGFKRGMXXFEKKA-AWEZNQCLSA-N 1 0 303.431 2.274 50 0 DEAARO CCCCCc1nc(-c2cn(CC[C@H]3CCCC[NH2+]3)nn2)n[nH]1 ZINC000822859153 1090649283 /nfs/dbraw/zinc/64/92/83/1090649283.db2.gz VNJUMPMVXDPGOF-CYBMUJFWSA-N 1 0 317.441 2.328 50 0 DEAARO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000095522807 185377396 /nfs/dbraw/zinc/37/73/96/185377396.db2.gz GWOREJKTYHXQKW-CQSZACIVSA-N 1 0 317.389 2.447 50 0 DEAARO CCCCC(=O)N1CCN(c2cc(C)[nH+]c(NCC)n2)CC1 ZINC000077128469 185111856 /nfs/dbraw/zinc/11/18/56/185111856.db2.gz USEDQMOAVWIADF-UHFFFAOYSA-N 1 0 305.426 2.056 50 0 DEAARO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCC(=O)NC(N)=O ZINC000078988409 185141278 /nfs/dbraw/zinc/14/12/78/185141278.db2.gz OZBPLIUIDPOLDW-QWRGUYRKSA-N 1 0 311.813 2.349 50 0 DEAARO Cn1ccnc1C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000078989921 185141866 /nfs/dbraw/zinc/14/18/66/185141866.db2.gz HDEHRCDFGCJUIO-UHFFFAOYSA-N 1 0 300.193 2.324 50 0 DEAARO COC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000079100157 185158329 /nfs/dbraw/zinc/15/83/29/185158329.db2.gz KEGQADRTMVRVGC-INIZCTEOSA-N 1 0 320.433 2.012 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cnc2c(C)cccn12 ZINC000089949140 185271006 /nfs/dbraw/zinc/27/10/06/185271006.db2.gz NQFJFVJWFBSNJH-DOTOQJQBSA-N 1 0 314.433 2.379 50 0 DEAARO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000090074221 185280561 /nfs/dbraw/zinc/28/05/61/185280561.db2.gz FFMMXMYEHKCXLM-PWSUYJOCSA-N 1 0 318.343 2.278 50 0 DEAARO CC(C)C(=O)NCC[NH2+]Cc1cc(F)ccc1Br ZINC000090167883 185284624 /nfs/dbraw/zinc/28/46/24/185284624.db2.gz DEUNUEGMVXPGQQ-UHFFFAOYSA-N 1 0 317.202 2.450 50 0 DEAARO NC(=O)N1CCC[N@H+](CCCSCc2ccccc2)CC1 ZINC000090524956 185300357 /nfs/dbraw/zinc/30/03/57/185300357.db2.gz XAVGTAGHVUDSPV-UHFFFAOYSA-N 1 0 307.463 2.396 50 0 DEAARO Cc1cccn2c(CC(=O)N3CCCC[C@H]([NH+](C)C)C3)cnc12 ZINC000082115173 192357437 /nfs/dbraw/zinc/35/74/37/192357437.db2.gz MUICKLZNLQYANK-HNNXBMFYSA-N 1 0 314.433 2.128 50 0 DEAARO CN(C)[C@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000223697015 282231332 /nfs/dbraw/zinc/23/13/32/282231332.db2.gz MDPOWFHFUWDCSE-KRWDZBQOSA-N 1 0 319.424 2.125 50 0 DEAARO CC[C@@H]1[C@@H](c2ccc(C)cc2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000095404907 185355470 /nfs/dbraw/zinc/35/54/70/185355470.db2.gz SZEQHNXGXCSYTD-HZPDHXFCSA-N 1 0 315.417 2.115 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419609 185360063 /nfs/dbraw/zinc/36/00/63/185360063.db2.gz MQBZUUKCAYIVPN-DTWKUNHWSA-N 1 0 307.337 2.189 50 0 DEAARO CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[NH+](C)C ZINC000095420510 185360121 /nfs/dbraw/zinc/36/01/21/185360121.db2.gz IAGMXUWFECEEMG-ZDUSSCGKSA-N 1 0 311.813 2.321 50 0 DEAARO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2OC)CC1 ZINC000095420811 185360536 /nfs/dbraw/zinc/36/05/36/185360536.db2.gz GTPDCORHOIIZHR-CYBMUJFWSA-N 1 0 306.406 2.447 50 0 DEAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1Cl ZINC000095421361 185360612 /nfs/dbraw/zinc/36/06/12/185360612.db2.gz LFBMXAPLTSYGOI-RISCZKNCSA-N 1 0 323.824 2.234 50 0 DEAARO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCOC3)cc2)CC1 ZINC000095456266 185370105 /nfs/dbraw/zinc/37/01/05/185370105.db2.gz ISYFXAOPEKSFFU-QGZVFWFLSA-N 1 0 318.417 2.163 50 0 DEAARO Cc1n[nH]c(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)n1 ZINC000095455750 185370142 /nfs/dbraw/zinc/37/01/42/185370142.db2.gz NDILUYRIRGWETN-UHFFFAOYSA-N 1 0 300.284 2.344 50 0 DEAARO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000097033020 185399758 /nfs/dbraw/zinc/39/97/58/185399758.db2.gz DURXTQHOSBZJCE-NWDGAFQWSA-N 1 0 318.446 2.407 50 0 DEAARO CC1(C)C(=O)N(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1(C)C ZINC000083630586 539389328 /nfs/dbraw/zinc/38/93/28/539389328.db2.gz FEERUGBGKOAKOK-HNNXBMFYSA-N 1 0 324.465 2.251 50 0 DEAARO O=C1CCCN1[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000071738794 191019010 /nfs/dbraw/zinc/01/90/10/191019010.db2.gz RNCSGGZUXPMMPZ-HNNXBMFYSA-N 1 0 306.381 2.291 50 0 DEAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2ccccc2c1 ZINC000071770767 191030251 /nfs/dbraw/zinc/03/02/51/191030251.db2.gz CXIFLJCQURNDJZ-UHFFFAOYSA-N 1 0 313.401 2.236 50 0 DEAARO Cc1nn(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000072146325 191053523 /nfs/dbraw/zinc/05/35/23/191053523.db2.gz SIEHDPWVCZTPNK-QGZVFWFLSA-N 1 0 318.465 2.285 50 0 DEAARO Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072153177 191057705 /nfs/dbraw/zinc/05/77/05/191057705.db2.gz QLPHFSMVLHRSBC-OAHLLOKOSA-N 1 0 314.433 2.128 50 0 DEAARO Cc1[nH]c2c(cccc2C(=O)NC[C@]2(O)CCC[NH2+]CC2)c1C ZINC000072157111 191060903 /nfs/dbraw/zinc/06/09/03/191060903.db2.gz DEYLXFQBIJJQPC-SFHVURJKSA-N 1 0 315.417 2.019 50 0 DEAARO Cc1nc(CN(Cc2cccnc2)C2CC[NH+](C)CC2)co1 ZINC000072158232 191060947 /nfs/dbraw/zinc/06/09/47/191060947.db2.gz BTEFSYNFSRUTNS-UHFFFAOYSA-N 1 0 300.406 2.474 50 0 DEAARO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270591 191093000 /nfs/dbraw/zinc/09/30/00/191093000.db2.gz CTURMVKLBYLHRJ-MRXNPFEDSA-N 1 0 312.417 2.248 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000152427059 186071337 /nfs/dbraw/zinc/07/13/37/186071337.db2.gz MJXFEEOPEZSPKT-QRGHLMKCSA-N 1 0 300.280 2.158 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000237451098 186290788 /nfs/dbraw/zinc/29/07/88/186290788.db2.gz IZCPRUKIJRYBSS-WFASDCNBSA-N 1 0 316.380 2.353 50 0 DEAARO C[C@H](C(=O)Nc1ccc(OCCO)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000253370039 186300650 /nfs/dbraw/zinc/30/06/50/186300650.db2.gz LEOPPIGRYAXBMT-MGPQQGTHSA-N 1 0 306.406 2.258 50 0 DEAARO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1COc2ccccc21 ZINC000172013747 198026009 /nfs/dbraw/zinc/02/60/09/198026009.db2.gz YEKDUUPUOCSGAN-MRXNPFEDSA-N 1 0 300.402 2.153 50 0 DEAARO Cc1cnn(CCC(=O)N2CCC([C@@H](C)[NH+]3CCCC3)CC2)c1 ZINC000072418216 191157123 /nfs/dbraw/zinc/15/71/23/191157123.db2.gz CLNVOBQODDXABH-MRXNPFEDSA-N 1 0 318.465 2.305 50 0 DEAARO Cn1ccnc1C[N@@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072429448 191162832 /nfs/dbraw/zinc/16/28/32/191162832.db2.gz LZZAWSITZIEZBU-UHFFFAOYSA-N 1 0 311.433 2.450 50 0 DEAARO Cc1ncc2c(c1CNC(=O)[C@H](F)c1ccccc1)CC[NH2+]C2 ZINC000072462496 191173114 /nfs/dbraw/zinc/17/31/14/191173114.db2.gz PEHLGMATKGEQDA-QGZVFWFLSA-N 1 0 313.376 2.363 50 0 DEAARO CCn1ccc2ccc(CN3CC[C@](O)(C[NH+](C)C)C3)cc21 ZINC000072463578 191174297 /nfs/dbraw/zinc/17/42/97/191174297.db2.gz LWDNEDAGHHKPQX-SFHVURJKSA-N 1 0 301.434 2.160 50 0 DEAARO Cc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 ZINC000072300615 354900611 /nfs/dbraw/zinc/90/06/11/354900611.db2.gz IGDYIUBEGYDQHR-WFASDCNBSA-N 1 0 314.451 2.126 50 0 DEAARO CCn1ccnc1C[NH2+]C[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000076042710 355120629 /nfs/dbraw/zinc/12/06/29/355120629.db2.gz WKDRVJLHUUYXHJ-WMLDXEAASA-N 1 0 317.437 2.121 50 0 DEAARO CN(Cc1ncc(C(C)(C)C)o1)CC1CC[NH+](CCO)CC1 ZINC000075603060 355095965 /nfs/dbraw/zinc/09/59/65/355095965.db2.gz ARGHMSREEBSTTD-UHFFFAOYSA-N 1 0 309.454 2.108 50 0 DEAARO COC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000079100015 355295709 /nfs/dbraw/zinc/29/57/09/355295709.db2.gz YLEDCZULVFUTMP-UHFFFAOYSA-N 1 0 313.781 2.400 50 0 DEAARO Cn1nnnc1SCCC[NH2+]Cc1c(F)cccc1Cl ZINC000004993802 181186467 /nfs/dbraw/zinc/18/64/67/181186467.db2.gz CBMNOFNKIYWEOE-UHFFFAOYSA-N 1 0 315.805 2.275 50 0 DEAARO Fc1ccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000077436836 191713642 /nfs/dbraw/zinc/71/36/42/191713642.db2.gz OQOYQQVDPDTASP-QGZVFWFLSA-N 1 0 322.424 2.391 50 0 DEAARO C[NH+](C)CCn1c2cc(N[C@H]3CCCSC3)ccc2oc1=O ZINC000097371023 355704429 /nfs/dbraw/zinc/70/44/29/355704429.db2.gz UXBDXCKQLWHFOA-ZDUSSCGKSA-N 1 0 321.446 2.464 50 0 DEAARO COc1c([C@@H]2CCCN2[C@H](C)c2nc(C)no2)c(C)nn1C ZINC000106908333 355726811 /nfs/dbraw/zinc/72/68/11/355726811.db2.gz HZSJYYMIXJTGHN-PWSUYJOCSA-N 1 0 305.382 2.327 50 0 DEAARO CC1(C)[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)C[C@H]1c1ccccc1 ZINC000122845043 355801730 /nfs/dbraw/zinc/80/17/30/355801730.db2.gz IPPBVTVCHMPNMT-IRXDYDNUSA-N 1 0 315.461 2.108 50 0 DEAARO COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCC3)c(OC)c1 ZINC000136491837 355867853 /nfs/dbraw/zinc/86/78/53/355867853.db2.gz DGLIABDOYFYDOD-UHFFFAOYSA-N 1 0 303.338 2.121 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)CC2 ZINC000136400493 355868181 /nfs/dbraw/zinc/86/81/81/355868181.db2.gz UHXGOEJSOPWGJO-DZGCQCFKSA-N 1 0 314.433 2.472 50 0 DEAARO Cc1cccc2ncc(C[NH2+]CC3(C(=O)N(C)C)CCCC3)n21 ZINC000170019493 355985543 /nfs/dbraw/zinc/98/55/43/355985543.db2.gz LNQWWMWGQGHING-UHFFFAOYSA-N 1 0 314.433 2.381 50 0 DEAARO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000170086616 355986089 /nfs/dbraw/zinc/98/60/89/355986089.db2.gz NNBKAFAXXDXFAZ-UHFFFAOYSA-N 1 0 315.417 2.087 50 0 DEAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccccc1CO ZINC000170601894 355988001 /nfs/dbraw/zinc/98/80/01/355988001.db2.gz OTBQEEHDBMDNNR-UHFFFAOYSA-N 1 0 312.413 2.099 50 0 DEAARO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000195549806 356256237 /nfs/dbraw/zinc/25/62/37/356256237.db2.gz NVKYEWLNHFDHID-GJZGRUSLSA-N 1 0 316.511 2.196 50 0 DEAARO CC[C@H](O)CN(Cc1ccccc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000195554563 356257210 /nfs/dbraw/zinc/25/72/10/356257210.db2.gz SMOXBLZBRCNAPH-FUHWJXTLSA-N 1 0 304.434 2.176 50 0 DEAARO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000229548595 356282097 /nfs/dbraw/zinc/28/20/97/356282097.db2.gz NSRGTOFMLBZERI-ARFHVFGLSA-N 1 0 321.421 2.021 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc(CC(C)C)no1 ZINC000229555219 356282244 /nfs/dbraw/zinc/28/22/44/356282244.db2.gz WUWVGBSSIKMOAQ-HUUCEWRRSA-N 1 0 320.437 2.243 50 0 DEAARO CCOc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1OCC ZINC000236886735 202053535 /nfs/dbraw/zinc/05/35/35/202053535.db2.gz FCKYAZCNRWSFKO-IZPAUZPXSA-N 1 0 304.390 2.057 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(Br)s1 ZINC000237232870 202199333 /nfs/dbraw/zinc/19/93/33/202199333.db2.gz FMMCMVVVOSRRLS-SECBINFHSA-N 1 0 317.252 2.264 50 0 DEAARO COc1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1OCCC(C)C ZINC000237245309 202203331 /nfs/dbraw/zinc/20/33/31/202203331.db2.gz HZWBXKVRRZRPQN-AWEZNQCLSA-N 1 0 306.406 2.293 50 0 DEAARO Cc1n[nH]c(C)c1CC(=O)NCC1([NH+]2CCCC2)CCCCC1 ZINC000584885186 357325447 /nfs/dbraw/zinc/32/54/47/357325447.db2.gz FECIAEAWSREILQ-UHFFFAOYSA-N 1 0 318.465 2.484 50 0 DEAARO Cc1ncn(C)c1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000584901366 357330369 /nfs/dbraw/zinc/33/03/69/357330369.db2.gz YDOANJFOVUTQKF-UHFFFAOYSA-N 1 0 304.438 2.113 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000237303594 202225020 /nfs/dbraw/zinc/22/50/20/202225020.db2.gz SDXWPOVPCKDHLG-INIZCTEOSA-N 1 0 321.490 2.194 50 0 DEAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000281112346 216086858 /nfs/dbraw/zinc/08/68/58/216086858.db2.gz CLUYEJNQLABSAH-MFKMUULPSA-N 1 0 321.364 2.413 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC[NH2+]1 ZINC000237768021 202350269 /nfs/dbraw/zinc/35/02/69/202350269.db2.gz IOMBNCCAMVBQBK-NSHDSACASA-N 1 0 312.373 2.048 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)C1 ZINC000237982080 202412268 /nfs/dbraw/zinc/41/22/68/202412268.db2.gz KXJVBRKRTRQFCX-CQSZACIVSA-N 1 0 310.401 2.008 50 0 DEAARO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC[NH+](C)CC1 ZINC000006007817 181305384 /nfs/dbraw/zinc/30/53/84/181305384.db2.gz CSUDJWBOPLRWGV-CYBMUJFWSA-N 1 0 302.418 2.153 50 0 DEAARO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc2cnccn12 ZINC000670441478 540933895 /nfs/dbraw/zinc/93/38/95/540933895.db2.gz LJSIGGACIWJTGE-OAHLLOKOSA-N 1 0 321.428 2.266 50 0 DEAARO COC(C)(C)CC[NH2+][C@H](C)Cn1cnc2ccccc2c1=O ZINC000670455491 540936408 /nfs/dbraw/zinc/93/64/08/540936408.db2.gz YDUDUAIQNRLEHI-CYBMUJFWSA-N 1 0 303.406 2.190 50 0 DEAARO OC[C@H]1CCC[N@H+](CCNc2ncccc2C(F)(F)F)C1 ZINC000670464103 540937612 /nfs/dbraw/zinc/93/76/12/540937612.db2.gz IRJCJLDUXQKYBH-NSHDSACASA-N 1 0 303.328 2.217 50 0 DEAARO Nc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000670466670 540937796 /nfs/dbraw/zinc/93/77/96/540937796.db2.gz VVUXQHZUCQPUQN-LBPRGKRZSA-N 1 0 316.430 2.120 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000053202858 283659239 /nfs/dbraw/zinc/65/92/39/283659239.db2.gz UJLXGAMYTZSZIZ-SNVBAGLBSA-N 1 0 322.352 2.078 50 0 DEAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000194081438 201174880 /nfs/dbraw/zinc/17/48/80/201174880.db2.gz ANTMRBXSTRVSRI-KRWDZBQOSA-N 1 0 306.450 2.375 50 0 DEAARO Cc1ccccc1CN(CCO)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000091289085 193031279 /nfs/dbraw/zinc/03/12/79/193031279.db2.gz IKJVJKDGGASWTD-QGZVFWFLSA-N 1 0 318.461 2.438 50 0 DEAARO OC[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091547866 193071274 /nfs/dbraw/zinc/07/12/74/193071274.db2.gz UFHQHINNZHNJRQ-HZPDHXFCSA-N 1 0 324.415 2.491 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1noc(-c2ccccc2)n1 ZINC000091645212 193084374 /nfs/dbraw/zinc/08/43/74/193084374.db2.gz HVTZXILGGGTLGG-AWEZNQCLSA-N 1 0 314.389 2.227 50 0 DEAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H]3CCC[C@H]3CO)[nH]c12 ZINC000091656920 193085734 /nfs/dbraw/zinc/08/57/34/193085734.db2.gz VCIGODHGXQPHJP-ZFWWWQNUSA-N 1 0 300.402 2.396 50 0 DEAARO CN(CCNC(=O)CC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000092107118 193160082 /nfs/dbraw/zinc/16/00/82/193160082.db2.gz ATECHHHWABXAPU-MRXNPFEDSA-N 1 0 303.450 2.361 50 0 DEAARO O=C(CO[C@H](c1ccccc1)C(F)(F)F)NC1CC[NH2+]CC1 ZINC000219207523 201550584 /nfs/dbraw/zinc/55/05/84/201550584.db2.gz USCIJHSGCCTKMC-CQSZACIVSA-N 1 0 316.323 2.175 50 0 DEAARO Cc1ccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)c(F)c1 ZINC000252536548 202863587 /nfs/dbraw/zinc/86/35/87/202863587.db2.gz IVRGGACVZHHKKC-ZQIUZPCESA-N 1 0 320.408 2.003 50 0 DEAARO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc(CN)n2)cc1 ZINC000262523997 203317948 /nfs/dbraw/zinc/31/79/48/203317948.db2.gz ZGQGVAKUTUGCLJ-CYBMUJFWSA-N 1 0 318.446 2.155 50 0 DEAARO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000095940598 193451943 /nfs/dbraw/zinc/45/19/43/193451943.db2.gz SCCHBNUXQZBTQY-ZDUSSCGKSA-N 1 0 320.389 2.447 50 0 DEAARO COc1ccc(NC(=O)CSCCC[NH+](C)C)cc1OC ZINC000096010336 193489371 /nfs/dbraw/zinc/48/93/71/193489371.db2.gz PVACVLMPOOPFKL-UHFFFAOYSA-N 1 0 312.435 2.327 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772812 182015527 /nfs/dbraw/zinc/01/55/27/182015527.db2.gz VEXXFEOSGKFKKY-UHFFFAOYSA-N 1 0 324.428 2.391 50 0 DEAARO CCC(CC)[NH+]1CCN(C(=O)COc2ccc(OC)cc2)CC1 ZINC000019500280 182125584 /nfs/dbraw/zinc/12/55/84/182125584.db2.gz HPGVWAOAIJEELZ-UHFFFAOYSA-N 1 0 320.433 2.407 50 0 DEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000019731506 182139223 /nfs/dbraw/zinc/13/92/23/182139223.db2.gz LRDLZCMUUQTTMU-KRWDZBQOSA-N 1 0 324.380 2.159 50 0 DEAARO OCC[C@@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1C1CCCC1 ZINC000019835492 182155089 /nfs/dbraw/zinc/15/50/89/182155089.db2.gz CULAPFJHMNPKFZ-QGZVFWFLSA-N 1 0 304.434 2.203 50 0 DEAARO COCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100446 182186674 /nfs/dbraw/zinc/18/66/74/182186674.db2.gz QJTKJWQOQDJMEN-UHFFFAOYSA-N 1 0 308.397 2.190 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCCC2)nc1 ZINC000020203052 182197515 /nfs/dbraw/zinc/19/75/15/182197515.db2.gz FYOPLAJNVHUKPO-INIZCTEOSA-N 1 0 316.449 2.286 50 0 DEAARO CN(C)CC[NH2+]CCOCCOc1cccc(C(F)(F)F)c1 ZINC000020418837 182216112 /nfs/dbraw/zinc/21/61/12/182216112.db2.gz SODXFYONDHDZPR-UHFFFAOYSA-N 1 0 320.355 2.252 50 0 DEAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc3nonc3c1)C2 ZINC000020514414 182226729 /nfs/dbraw/zinc/22/67/29/182226729.db2.gz QHUQNGFQLOJMHL-CYBMUJFWSA-N 1 0 311.341 2.325 50 0 DEAARO CCc1cc2c(CN3CC[NH+](CC)CC3)cc(=O)oc2cc1O ZINC000020533351 182228180 /nfs/dbraw/zinc/22/81/80/182228180.db2.gz PKIGYMMVHJFWHY-UHFFFAOYSA-N 1 0 316.401 2.199 50 0 DEAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000020906538 182253789 /nfs/dbraw/zinc/25/37/89/182253789.db2.gz UVIJAEXMSDWPNA-GOSISDBHSA-N 1 0 302.418 2.186 50 0 DEAARO Cc1nc2ccccn2c1C[NH+]1CCC(c2nncn2C)CC1 ZINC000020878036 182251341 /nfs/dbraw/zinc/25/13/41/182251341.db2.gz OGQKEPUANDXEJC-UHFFFAOYSA-N 1 0 310.405 2.151 50 0 DEAARO CCCc1ccc(C[NH+]2CCC(Cn3cc(CO)nn3)CC2)o1 ZINC000020999303 182258958 /nfs/dbraw/zinc/25/89/58/182258958.db2.gz DDNKPQCXZDEUBH-UHFFFAOYSA-N 1 0 318.421 2.228 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc(OC)c1OC ZINC000022587937 182327252 /nfs/dbraw/zinc/32/72/52/182327252.db2.gz IPTLTOIJTRUJMR-UKRRQHHQSA-N 1 0 320.433 2.381 50 0 DEAARO COc1cc2c(cc1OC)CN([C@H]1C[NH+]3CCC1CC3)CC2 ZINC000022455644 182321951 /nfs/dbraw/zinc/32/19/51/182321951.db2.gz SWXNFWAVVGLJJF-INIZCTEOSA-N 1 0 302.418 2.156 50 0 DEAARO CC(C)c1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000022999091 182344288 /nfs/dbraw/zinc/34/42/88/182344288.db2.gz PGRZJZRXQJOYJK-UHFFFAOYSA-N 1 0 317.433 2.207 50 0 DEAARO CCN1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790015 182335441 /nfs/dbraw/zinc/33/54/41/182335441.db2.gz XBKYGHLSVYDCGL-ROUUACIJSA-N 1 0 320.477 2.425 50 0 DEAARO Cc1cccc(NC(=O)NCCCN2CC[NH+](C)CC2)c1C ZINC000022938164 182343095 /nfs/dbraw/zinc/34/30/95/182343095.db2.gz SBBADJNNUOHCPS-UHFFFAOYSA-N 1 0 304.438 2.062 50 0 DEAARO CCn1ncc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1C ZINC000039394897 183017882 /nfs/dbraw/zinc/01/78/82/183017882.db2.gz VOUYYAMBTNCNRM-QGZVFWFLSA-N 1 0 322.497 2.126 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 ZINC000040500869 183083508 /nfs/dbraw/zinc/08/35/08/183083508.db2.gz OUIUZHJXZURNDK-ZBFHGGJFSA-N 1 0 316.426 2.471 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2scnc2C)[NH+](C)C)cc1 ZINC000040533880 183094614 /nfs/dbraw/zinc/09/46/14/183094614.db2.gz NOYXSMWZWVWUIQ-AWEZNQCLSA-N 1 0 319.430 2.493 50 0 DEAARO CC[C@@H](C)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000041577395 183206324 /nfs/dbraw/zinc/20/63/24/183206324.db2.gz WJILHJZSDHYBDA-OAHLLOKOSA-N 1 0 303.450 2.096 50 0 DEAARO Cc1cc(CN(C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)no1 ZINC000043143799 183340941 /nfs/dbraw/zinc/34/09/41/183340941.db2.gz UEOWKHFPSHSSJR-CYBMUJFWSA-N 1 0 322.434 2.489 50 0 DEAARO CCn1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000043645337 183377149 /nfs/dbraw/zinc/37/71/49/183377149.db2.gz MFIXACSCAFDFQH-ZDUSSCGKSA-N 1 0 307.423 2.389 50 0 DEAARO Cc1ccc(CN2CC[N@@H+](C3CCSCC3)C[C@H]2CCO)o1 ZINC000104501318 194011927 /nfs/dbraw/zinc/01/19/27/194011927.db2.gz XPZYDMXIPICQTA-MRXNPFEDSA-N 1 0 324.490 2.352 50 0 DEAARO O=C(c1cnsn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103093111 284756551 /nfs/dbraw/zinc/75/65/51/284756551.db2.gz KFZCACCRLHWSEI-CYBMUJFWSA-N 1 0 308.451 2.266 50 0 DEAARO C[C@H](c1nc(C2CC2)no1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106781340 194252087 /nfs/dbraw/zinc/25/20/87/194252087.db2.gz HCXKBCOVUNQYBX-QWHCGFSZSA-N 1 0 322.453 2.033 50 0 DEAARO Cc1ccc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2c1 ZINC000054219987 183929636 /nfs/dbraw/zinc/92/96/36/183929636.db2.gz QQMKOZGFNFSPHH-UHFFFAOYSA-N 1 0 315.369 2.440 50 0 biogenic DEAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccccc2OC)on1 ZINC000057395974 184037490 /nfs/dbraw/zinc/03/74/90/184037490.db2.gz ODRPAZBCFINOBL-UHFFFAOYSA-N 1 0 317.389 2.422 50 0 DEAARO O=C(Nc1cn[nH]c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058355944 184107559 /nfs/dbraw/zinc/10/75/59/184107559.db2.gz VRAPGYOYNCIXCR-CYBMUJFWSA-N 1 0 302.353 2.400 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000058391672 184111434 /nfs/dbraw/zinc/11/14/34/184111434.db2.gz SMTVLYDKWJXNJW-MSOLQXFVSA-N 1 0 310.397 2.433 50 0 DEAARO Cc1ccc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc(=O)n2c1 ZINC000058265966 184096615 /nfs/dbraw/zinc/09/66/15/184096615.db2.gz BBHVJTSCEDAWMH-UHFFFAOYSA-N 1 0 323.400 2.106 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000058283639 184100302 /nfs/dbraw/zinc/10/03/02/184100302.db2.gz AMVDTIBFABUVFQ-ZDUSSCGKSA-N 1 0 314.385 2.255 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1cnn(-c3ccccc3)c1)CN2 ZINC000058293123 184101559 /nfs/dbraw/zinc/10/15/59/184101559.db2.gz FYYINQORPZFPPU-OAHLLOKOSA-N 1 0 322.416 2.209 50 0 DEAARO Cc1ncc(C[NH+]2CCC(c3ccnn3CCO)CC2)s1 ZINC000058300212 184102781 /nfs/dbraw/zinc/10/27/81/184102781.db2.gz IXEJVYAFPDWOHO-UHFFFAOYSA-N 1 0 306.435 2.020 50 0 DEAARO C[C@@H](CCNC(=O)c1cccn1-c1cccnc1)[NH+]1CCCC1 ZINC000064839132 184304522 /nfs/dbraw/zinc/30/45/22/184304522.db2.gz DPXHCDQXYKNXDH-HNNXBMFYSA-N 1 0 312.417 2.477 50 0 DEAARO COc1ccc(C[N@H+](C)Cc2cnc(N)nc2)c2cccnc12 ZINC000065527874 184360374 /nfs/dbraw/zinc/36/03/74/184360374.db2.gz BAJZWFKBXSXLIN-UHFFFAOYSA-N 1 0 309.373 2.248 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000065548011 184364103 /nfs/dbraw/zinc/36/41/03/184364103.db2.gz TZYLGQLATOVATE-HNNXBMFYSA-N 1 0 314.389 2.259 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C/c2ccco2)cn1 ZINC000065621111 184374420 /nfs/dbraw/zinc/37/44/20/184374420.db2.gz ZPKFCYREADGAED-BQYQJAHWSA-N 1 0 302.378 2.470 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)C[C@H](C)c1ccccc1F ZINC000065624541 184375248 /nfs/dbraw/zinc/37/52/48/184375248.db2.gz LVVBISNYBOGYNB-AWEZNQCLSA-N 1 0 310.413 2.404 50 0 DEAARO O=c1oc2ccccc2n1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000044975360 285229343 /nfs/dbraw/zinc/22/93/43/285229343.db2.gz OEYNDRRWLBJHJJ-ZDUSSCGKSA-N 1 0 302.374 2.095 50 0 DEAARO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000289966166 221348432 /nfs/dbraw/zinc/34/84/32/221348432.db2.gz PYBVZWYVHBATEZ-GFCCVEGCSA-N 1 0 321.396 2.290 50 0 DEAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000269266263 257238060 /nfs/dbraw/zinc/23/80/60/257238060.db2.gz UKYBDUHMICNEEU-CABCVRRESA-N 1 0 322.836 2.252 50 0 DEAARO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000071902649 184896596 /nfs/dbraw/zinc/89/65/96/184896596.db2.gz QJZQOTDLSLXEFI-INIZCTEOSA-N 1 0 310.463 2.399 50 0 DEAARO O=C(CCc1cnn(-c2ccccc2)c1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000685939583 542768027 /nfs/dbraw/zinc/76/80/27/542768027.db2.gz YWICKEYWECPWNB-GOSISDBHSA-N 1 0 324.428 2.015 50 0 DEAARO CC(C)C[C@H](C)Cn1cc(C[NH+]2CCC3(CC2)OCCO3)nn1 ZINC000685943819 542768921 /nfs/dbraw/zinc/76/89/21/542768921.db2.gz YSHSVVITTTVKPN-HNNXBMFYSA-N 1 0 322.453 2.299 50 0 DEAARO OCC[NH2+]CCOCCOc1ccccc1-c1ccccc1 ZINC000003003667 401720662 /nfs/dbraw/zinc/72/06/62/401720662.db2.gz FFNGHESAZUMAKR-UHFFFAOYSA-N 1 0 301.386 2.331 50 0 DEAARO C[NH2+][C@]1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1 ZINC000004836899 401727566 /nfs/dbraw/zinc/72/75/66/401727566.db2.gz QSCGGSJEIOJUPT-QGZVFWFLSA-N 1 0 315.421 2.283 50 0 DEAARO O=C([C@H]1CCCO1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006729890 401732208 /nfs/dbraw/zinc/73/22/08/401732208.db2.gz DENGKMWSVLFEGG-YMVOSSCXSA-N 1 0 318.461 2.278 50 0 DEAARO CC(C)CCC[C@H](C)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000007692859 401743263 /nfs/dbraw/zinc/74/32/63/401743263.db2.gz PKBVGOPLGQEZRB-JTQLQIEISA-N 1 0 311.455 2.064 50 0 DEAARO CC(C)CCC[C@@H](C)NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000007692858 401743455 /nfs/dbraw/zinc/74/34/55/401743455.db2.gz PKBVGOPLGQEZRB-SNVBAGLBSA-N 1 0 311.455 2.064 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1 ZINC000071866785 401689258 /nfs/dbraw/zinc/68/92/58/401689258.db2.gz JAAAIBNQQRPQHL-QGZVFWFLSA-N 1 0 312.417 2.250 50 0 DEAARO O[C@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000071876309 401690204 /nfs/dbraw/zinc/69/02/04/401690204.db2.gz HPISNHJEFYTMGA-HZPDHXFCSA-N 1 0 304.369 2.005 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000000229659 401691899 /nfs/dbraw/zinc/69/18/99/401691899.db2.gz WCCWEJWGXYKBMJ-UHFFFAOYSA-N 1 0 318.417 2.404 50 0 DEAARO Cc1nc(COc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)no1 ZINC000071888355 401692818 /nfs/dbraw/zinc/69/28/18/401692818.db2.gz KGQFDOKQWLQIGB-UHFFFAOYSA-N 1 0 318.377 2.236 50 0 DEAARO O=C(COC[C@@H]1CCCO1)Nc1ccccc1C[NH+]1CCCC1 ZINC000071904431 401694997 /nfs/dbraw/zinc/69/49/97/401694997.db2.gz HBVRRPMFRNECHL-INIZCTEOSA-N 1 0 318.417 2.417 50 0 DEAARO Cc1n[nH]cc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000071922251 401697852 /nfs/dbraw/zinc/69/78/52/401697852.db2.gz YRINQMNXRLSREN-OAHLLOKOSA-N 1 0 301.394 2.451 50 0 DEAARO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000000531404 401700761 /nfs/dbraw/zinc/70/07/61/401700761.db2.gz MXLXLDMDPYBBDH-LBPRGKRZSA-N 1 0 323.389 2.354 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072169639 401703734 /nfs/dbraw/zinc/70/37/34/401703734.db2.gz VUOCKTTWNSKZLP-CQSZACIVSA-N 1 0 317.355 2.383 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000072253075 401704363 /nfs/dbraw/zinc/70/43/63/401704363.db2.gz YQJBHKHVMXRJDY-AWEZNQCLSA-N 1 0 318.446 2.206 50 0 DEAARO Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[NH2+]C(C)(C)C)n1 ZINC000072279975 401706023 /nfs/dbraw/zinc/70/60/23/401706023.db2.gz PQAKGDUKPAOKKE-HNNXBMFYSA-N 1 0 306.454 2.269 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000072298347 401707838 /nfs/dbraw/zinc/70/78/38/401707838.db2.gz NILAFZYGZMVKHO-RDJZCZTQSA-N 1 0 300.406 2.299 50 0 DEAARO Cc1ccoc1C[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000072300649 401708326 /nfs/dbraw/zinc/70/83/26/401708326.db2.gz ZELBEEGQAMHBIF-KBPBESRZSA-N 1 0 314.451 2.126 50 0 DEAARO CC(C)CCN1CCNC(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000002212334 401712224 /nfs/dbraw/zinc/71/22/24/401712224.db2.gz DHUSDXFKNRRNKW-OAHLLOKOSA-N 1 0 321.396 2.001 50 0 DEAARO C[N@@H+]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000013323089 401798906 /nfs/dbraw/zinc/79/89/06/401798906.db2.gz IZYFRIYFNIIZEI-UHFFFAOYSA-N 1 0 316.323 2.248 50 0 DEAARO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000127806503 401750838 /nfs/dbraw/zinc/75/08/38/401750838.db2.gz CWEOHUMAIGZUQO-UHFFFAOYSA-N 1 0 313.401 2.283 50 0 DEAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000008307187 401751302 /nfs/dbraw/zinc/75/13/02/401751302.db2.gz NATXJZZDKKGXKY-SFHVURJKSA-N 1 0 316.445 2.236 50 0 DEAARO O=C(C[NH+]1CCCCCCC1)NC(=O)NCc1cccs1 ZINC000008338804 401751993 /nfs/dbraw/zinc/75/19/93/401751993.db2.gz UAPNYOLSOXVDOB-UHFFFAOYSA-N 1 0 309.435 2.340 50 0 DEAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000008494257 401753335 /nfs/dbraw/zinc/75/33/35/401753335.db2.gz XAWZRKUVAPAATK-ZDUSSCGKSA-N 1 0 305.422 2.440 50 0 DEAARO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)C(C)C ZINC000014232346 401809296 /nfs/dbraw/zinc/80/92/96/401809296.db2.gz GJTKHZOTWQPLHU-HNNXBMFYSA-N 1 0 319.449 2.334 50 0 DEAARO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(C)c(C)s2)CC1 ZINC000075572753 401763112 /nfs/dbraw/zinc/76/31/12/401763112.db2.gz FYCIRYOQICQFTQ-CYBMUJFWSA-N 1 0 323.506 2.368 50 0 DEAARO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000011880131 401777443 /nfs/dbraw/zinc/77/74/43/401777443.db2.gz GTWXVBDZBRRPSX-AWEZNQCLSA-N 1 0 304.438 2.221 50 0 DEAARO CC[NH+](CC)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000011933255 401778280 /nfs/dbraw/zinc/77/82/80/401778280.db2.gz DKHVWCAVFXMYSP-KRWDZBQOSA-N 1 0 308.397 2.021 50 0 DEAARO COc1ccccc1CN1C(=O)O[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000012209073 401781556 /nfs/dbraw/zinc/78/15/56/401781556.db2.gz LOHLAQQYOOPJND-GOEBONIOSA-N 1 0 302.374 2.110 50 0 DEAARO CCC[NH+]1CCN(c2nncc(-c3ccc(OC)cc3)n2)CC1 ZINC000012299556 401782967 /nfs/dbraw/zinc/78/29/67/401782967.db2.gz UNCVXSXJZQYEOG-UHFFFAOYSA-N 1 0 313.405 2.079 50 0 DEAARO Cc1nonc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012717677 401790109 /nfs/dbraw/zinc/79/01/09/401790109.db2.gz MUCJOKNGYLUBNI-CYBMUJFWSA-N 1 0 306.410 2.295 50 0 DEAARO Cc1cc(F)ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000076332022 401791228 /nfs/dbraw/zinc/79/12/28/401791228.db2.gz NVKJYCDTYRCMJM-CYBMUJFWSA-N 1 0 322.428 2.139 50 0 DEAARO CCOC(=O)c1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000012865933 401792910 /nfs/dbraw/zinc/79/29/10/401792910.db2.gz LIASCJRVQJSEFM-UHFFFAOYSA-N 1 0 319.405 2.471 50 0 DEAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000015855989 401818757 /nfs/dbraw/zinc/81/87/57/401818757.db2.gz ZMJVAJDJOWYLHB-UHFFFAOYSA-N 1 0 310.401 2.005 50 0 DEAARO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H](C)[NH+](C)C)c12 ZINC000025149155 401831583 /nfs/dbraw/zinc/83/15/83/401831583.db2.gz FBXCMYQPBVEGBH-VIFPVBQESA-N 1 0 302.378 2.089 50 0 DEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029833254 401859213 /nfs/dbraw/zinc/85/92/13/401859213.db2.gz NJKUSEQWILFZOY-ZDUSSCGKSA-N 1 0 301.390 2.486 50 0 DEAARO O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000078726968 401863831 /nfs/dbraw/zinc/86/38/31/401863831.db2.gz GMWBPSVBHOIHRC-CQSZACIVSA-N 1 0 316.401 2.158 50 0 DEAARO COc1cccc(C[NH2+]Cc2ccnc(N(C)C)c2)c1OC ZINC000030903124 401866478 /nfs/dbraw/zinc/86/64/78/401866478.db2.gz GTCDKNPXSREREC-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO COc1cc(C[NH2+][C@H](C)Cn2ccnc2)cc(OC)c1OC ZINC000030909673 401867039 /nfs/dbraw/zinc/86/70/39/401867039.db2.gz KYCPBWJBDCLOBQ-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO COc1cc(C[NH2+][C@@H](C)Cn2cccn2)cc(OC)c1OC ZINC000030904353 401867050 /nfs/dbraw/zinc/86/70/50/401867050.db2.gz MDGBIGDIXXFTEN-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO CNC(=O)CN1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000030905498 401867104 /nfs/dbraw/zinc/86/71/04/401867104.db2.gz XHSYTCRJIVMUQH-UHFFFAOYSA-N 1 0 311.429 2.140 50 0 DEAARO Cc1nc2c(s1)[C@H](N(C)CC(=O)Nc1nncs1)CCC2 ZINC000079027960 401868658 /nfs/dbraw/zinc/86/86/58/401868658.db2.gz NTPHASDDPGBTMR-SNVBAGLBSA-N 1 0 323.447 2.251 50 0 DEAARO C[C@H]1COCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031664508 401873138 /nfs/dbraw/zinc/87/31/38/401873138.db2.gz SLKJLWHOIWXTMV-HNNXBMFYSA-N 1 0 317.433 2.081 50 0 DEAARO CN1C[C@@H]2C[C@@H](c3cnn(-c4ccccc4)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000014966128 401814548 /nfs/dbraw/zinc/81/45/48/401814548.db2.gz QXERWZWTJWWGBE-IEZWGBDMSA-N 1 0 322.412 2.240 50 0 DEAARO CN(C)c1ncc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077420809 401814871 /nfs/dbraw/zinc/81/48/71/401814871.db2.gz ARFFIAMQQSXBJF-QGZVFWFLSA-N 1 0 317.481 2.383 50 0 DEAARO O=c1c2c(ncn1Cc1cccc(F)c1)sc1c2CC[NH2+]C1 ZINC000077471718 401816447 /nfs/dbraw/zinc/81/64/47/401816447.db2.gz RBGQZUZDCNFDRD-UHFFFAOYSA-N 1 0 315.373 2.291 50 0 DEAARO CCOC(=O)N1CCC([NH2+]Cc2cn3ccsc3n2)CC1 ZINC000089144197 401937347 /nfs/dbraw/zinc/93/73/47/401937347.db2.gz PJXJNBWHALTZKH-UHFFFAOYSA-N 1 0 308.407 2.106 50 0 DEAARO COc1cccc2ncn(CC[C@H]3CCCC[N@@H+]3C)c(=O)c21 ZINC000032533046 401879546 /nfs/dbraw/zinc/87/95/46/401879546.db2.gz QMHGFUZZWVXUCL-CYBMUJFWSA-N 1 0 301.390 2.280 50 0 DEAARO C[NH+](C)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032781219 401883260 /nfs/dbraw/zinc/88/32/60/401883260.db2.gz ZOZLGFNVPIUHFO-OAHLLOKOSA-N 1 0 312.369 2.448 50 0 DEAARO Cn1ncc2c1ncnc2N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032923561 401886679 /nfs/dbraw/zinc/88/66/79/401886679.db2.gz PVAGTXUNLCUPRF-HNNXBMFYSA-N 1 0 322.416 2.440 50 0 DEAARO COCCC[N@@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098189 401902458 /nfs/dbraw/zinc/90/24/58/401902458.db2.gz UHJSCEDDTVENQB-INIZCTEOSA-N 1 0 312.454 2.040 50 0 DEAARO COCCC[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)C ZINC000036099436 401902651 /nfs/dbraw/zinc/90/26/51/401902651.db2.gz BDDJACAGJHJIQE-HNNXBMFYSA-N 1 0 301.452 2.373 50 0 DEAARO CC[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146468 401903472 /nfs/dbraw/zinc/90/34/72/401903472.db2.gz LEMWFNLOUKHEDI-IRXDYDNUSA-N 1 0 320.433 2.287 50 0 DEAARO O=C(NC1CC1)[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000084519368 401906638 /nfs/dbraw/zinc/90/66/38/401906638.db2.gz PKWDMPYYTJIQRQ-DOTOQJQBSA-N 1 0 324.428 2.370 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000084753045 401909919 /nfs/dbraw/zinc/90/99/19/401909919.db2.gz VWJVKHFICKCKPW-HNNXBMFYSA-N 1 0 306.406 2.052 50 0 DEAARO Cc1nc(CCNC(=O)NCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000044967720 401951607 /nfs/dbraw/zinc/95/16/07/401951607.db2.gz QKELASBISZPUKK-LBPRGKRZSA-N 1 0 310.467 2.168 50 0 DEAARO CN(C[C@@H]1CCC[N@H+](CCn2ccnc2)C1)C(=O)OC(C)(C)C ZINC000089661712 401956447 /nfs/dbraw/zinc/95/64/47/401956447.db2.gz HLYWCOARAWPEOX-HNNXBMFYSA-N 1 0 322.453 2.462 50 0 DEAARO CC(C)[N@H+](C)CC(=O)Nc1cccc(Nc2cnn(C)c2)c1 ZINC000089869454 401969344 /nfs/dbraw/zinc/96/93/44/401969344.db2.gz DXUQUMCWXOEYFX-UHFFFAOYSA-N 1 0 301.394 2.442 50 0 DEAARO CC[NH+](CC)[C@H](C)CNC(=O)COCc1cccc(OC)c1 ZINC000046766972 401972321 /nfs/dbraw/zinc/97/23/21/401972321.db2.gz BTFFNKOWVXOUFD-CQSZACIVSA-N 1 0 308.422 2.058 50 0 DEAARO COc1ccc(-c2cnc(CN3CC[N@H+](C)C[C@@H]3C)o2)cc1 ZINC000089939319 401975491 /nfs/dbraw/zinc/97/54/91/401975491.db2.gz VNJOEZBMCMZTBJ-ZDUSSCGKSA-N 1 0 301.390 2.486 50 0 DEAARO COc1cccc(CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000046955073 401976647 /nfs/dbraw/zinc/97/66/47/401976647.db2.gz OSENMDXPILMFOP-CABCVRRESA-N 1 0 304.434 2.474 50 0 DEAARO CCn1cc(Br)cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541066 401944949 /nfs/dbraw/zinc/94/49/49/401944949.db2.gz BRQBTKNJGAIAOZ-NSHDSACASA-N 1 0 314.227 2.224 50 0 DEAARO Cc1cc(C)n(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000044890516 401949159 /nfs/dbraw/zinc/94/91/59/401949159.db2.gz PJVAHBIDSYTAAM-HNNXBMFYSA-N 1 0 316.405 2.046 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCO1 ZINC000044892565 401949422 /nfs/dbraw/zinc/94/94/22/401949422.db2.gz ULNYLIVWTBWNRX-ZIAGYGMSSA-N 1 0 323.462 2.363 50 0 DEAARO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccoc1 ZINC000151100355 402015603 /nfs/dbraw/zinc/01/56/03/402015603.db2.gz NJBOXQIKYAYKJV-UHFFFAOYSA-N 1 0 314.341 2.441 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000050245750 402026718 /nfs/dbraw/zinc/02/67/18/402026718.db2.gz YPTKIOPPAQAGSN-MRVPVSSYSA-N 1 0 301.159 2.009 50 0 DEAARO O=C(Cn1ccnc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095354101 402027112 /nfs/dbraw/zinc/02/71/12/402027112.db2.gz IHXMZOLAIAYGHD-QZTJIDSGSA-N 1 0 324.428 2.006 50 0 DEAARO CC(C)c1nnsc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000095362066 402027765 /nfs/dbraw/zinc/02/77/65/402027765.db2.gz QITFMOJPWWZNSJ-UHFFFAOYSA-N 1 0 310.467 2.398 50 0 DEAARO COCC[N@@H+]1CC[C@H](c2ncnn2-c2ccc(SC)cc2)C1 ZINC000095362997 402028568 /nfs/dbraw/zinc/02/85/68/402028568.db2.gz XLLYMSFGHIFKBT-ZDUSSCGKSA-N 1 0 318.446 2.425 50 0 DEAARO Cc1nnc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000095371003 402028842 /nfs/dbraw/zinc/02/88/42/402028842.db2.gz YMGWCAKQTVQGKQ-ZDUSSCGKSA-N 1 0 322.478 2.160 50 0 DEAARO CCc1[nH+]c(N)nc(NCCC(=O)NC2CCCCC2)c1C ZINC000095370867 402028926 /nfs/dbraw/zinc/02/89/26/402028926.db2.gz UJJYHRRRHJSGGF-UHFFFAOYSA-N 1 0 305.426 2.181 50 0 DEAARO Cc1cc(C)nc(CCNC(=O)CC2CC[NH+](C(C)C)CC2)n1 ZINC000095379871 402030426 /nfs/dbraw/zinc/03/04/26/402030426.db2.gz NFOOBKJHLBWLIT-UHFFFAOYSA-N 1 0 318.465 2.263 50 0 DEAARO CC(C)C[N@@H+]1CCCC[C@@H]1Cc1nc2c([nH]1)C(=O)NCCC2 ZINC000095392210 402031793 /nfs/dbraw/zinc/03/17/93/402031793.db2.gz ZDLCDBWTVOHKRC-CYBMUJFWSA-N 1 0 304.438 2.139 50 0 DEAARO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000095420886 402032415 /nfs/dbraw/zinc/03/24/15/402032415.db2.gz DMKZDBKOFRVVMP-MSOLQXFVSA-N 1 0 318.486 2.471 50 0 DEAARO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000095420235 402032589 /nfs/dbraw/zinc/03/25/89/402032589.db2.gz YBHHQYDNVRTGEF-UONOGXRCSA-N 1 0 320.433 2.059 50 0 DEAARO C[NH+](C)C[C@H]1CCN(Cc2nnc(-c3ccccc3F)o2)C1 ZINC000095962569 402037492 /nfs/dbraw/zinc/03/74/92/402037492.db2.gz PIZFMRBXTJOONC-GFCCVEGCSA-N 1 0 304.369 2.259 50 0 DEAARO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)c1ccoc1 ZINC000095971585 402038870 /nfs/dbraw/zinc/03/88/70/402038870.db2.gz CPBHOFZQUJRREN-OAHLLOKOSA-N 1 0 314.341 2.441 50 0 DEAARO CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[C@H]([NH3+])C2)n1 ZINC000095971571 402038964 /nfs/dbraw/zinc/03/89/64/402038964.db2.gz BCKSLRWEWJDGLS-NSHDSACASA-N 1 0 314.389 2.207 50 0 DEAARO C[N@H+](CCn1cccn1)[C@H](CO)c1cccc(Br)c1 ZINC000095980921 402041686 /nfs/dbraw/zinc/04/16/86/402041686.db2.gz RQVWOFMOPWDHLZ-CQSZACIVSA-N 1 0 324.222 2.311 50 0 DEAARO Cc1cccc(C(C)(C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000095985276 402042600 /nfs/dbraw/zinc/04/26/00/402042600.db2.gz KMDPSKNWXBNILT-HNNXBMFYSA-N 1 0 324.490 2.491 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000052982760 402049801 /nfs/dbraw/zinc/04/98/01/402049801.db2.gz HSQYCJAYAZFMLX-HOCLYGCPSA-N 1 0 301.390 2.105 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000053202121 402052384 /nfs/dbraw/zinc/05/23/84/402052384.db2.gz BYJJRUZMVGHQGY-CYBMUJFWSA-N 1 0 311.223 2.202 50 0 DEAARO [NH3+]CC1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000122374286 402076102 /nfs/dbraw/zinc/07/61/02/402076102.db2.gz XMBOAABOFYWGPN-UHFFFAOYSA-N 1 0 315.186 2.399 50 0 DEAARO Cn1cc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000055154191 402076337 /nfs/dbraw/zinc/07/63/37/402076337.db2.gz FWTMQFZSLIFPQU-INIZCTEOSA-N 1 0 320.400 2.439 50 0 DEAARO Cc1n[nH]c(C)c1CCNC(=O)CC[NH+]1CCCCCCC1 ZINC000055211846 402077966 /nfs/dbraw/zinc/07/79/66/402077966.db2.gz ZFMNMLBSMFHZTH-UHFFFAOYSA-N 1 0 306.454 2.341 50 0 DEAARO CC1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCOC3)CC2)CC1 ZINC000096404059 402078432 /nfs/dbraw/zinc/07/84/32/402078432.db2.gz DRYFWQLOWGBWKY-CKDBGZEDSA-N 1 0 323.481 2.365 50 0 DEAARO Cn1c(CC2CC[NH2+]CC2)nnc1SC[C@@H]1CCCCO1 ZINC000055382790 402080829 /nfs/dbraw/zinc/08/08/29/402080829.db2.gz MTEIKKBDCSILMC-ZDUSSCGKSA-N 1 0 310.467 2.018 50 0 DEAARO CCCCS(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000096427669 402084275 /nfs/dbraw/zinc/08/42/75/402084275.db2.gz JWIHQSREODBEAF-UHFFFAOYSA-N 1 0 314.451 2.306 50 0 DEAARO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@](C)(O)c1cnn(C)c1 ZINC000096478295 402094190 /nfs/dbraw/zinc/09/41/90/402094190.db2.gz NIRZWNMVRXCWRA-CXAGYDPISA-N 1 0 305.397 2.378 50 0 DEAARO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)C(=O)N1CCOCC1 ZINC000096489398 402095870 /nfs/dbraw/zinc/09/58/70/402095870.db2.gz VSIYMPVMCRHOTA-IUODEOHRSA-N 1 0 324.396 2.122 50 0 DEAARO CC1(C)[C@H]([NH2+]CCC(=O)NCc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000097034487 402100614 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Cn1cc(-c2cccc(C[N@@H+]3CCCC4(C3)OCCO4)c2)cn1 ZINC000097139055 402110264 /nfs/dbraw/zinc/11/02/64/402110264.db2.gz FAAUZZOUCJDBHL-UHFFFAOYSA-N 1 0 313.401 2.426 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097155986 402112052 /nfs/dbraw/zinc/11/20/52/402112052.db2.gz IXTKOWYZDSBYON-HNNXBMFYSA-N 1 0 316.424 2.095 50 0 DEAARO C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000097164421 402113343 /nfs/dbraw/zinc/11/33/43/402113343.db2.gz KLUJDJXYVWULPU-DZGCQCFKSA-N 1 0 322.453 2.340 50 0 DEAARO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)n1 ZINC000097200902 402116283 /nfs/dbraw/zinc/11/62/83/402116283.db2.gz FPVRWMMHIOBYFU-MRXNPFEDSA-N 1 0 324.428 2.423 50 0 DEAARO Cn1cc(C2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cn1 ZINC000097203071 402117567 /nfs/dbraw/zinc/11/75/67/402117567.db2.gz CJQPJGPNABHQPU-KRWDZBQOSA-N 1 0 303.381 2.472 50 0 DEAARO Cc1ccccc1NC(=O)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000096180284 402064845 /nfs/dbraw/zinc/06/48/45/402064845.db2.gz 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50 0 DEAARO C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1 ZINC000095420635 185360178 /nfs/dbraw/zinc/36/01/78/185360178.db2.gz LIRFIIGGNGCLCO-ZDUSSCGKSA-N 1 0 314.389 2.270 50 0 DEAARO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NCc1cccnc1 ZINC000095428967 185362195 /nfs/dbraw/zinc/36/21/95/185362195.db2.gz FSRLTFKNZDZKBD-QGZVFWFLSA-N 1 0 310.401 2.143 50 0 DEAARO OC[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000095433508 185364048 /nfs/dbraw/zinc/36/40/48/185364048.db2.gz CBTQEXUQLSGJHV-SMDDNHRTSA-N 1 0 314.223 2.187 50 0 DEAARO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000095421172 185360539 /nfs/dbraw/zinc/36/05/39/185360539.db2.gz PHCIOCPEHVFIRX-UONOGXRCSA-N 1 0 315.421 2.236 50 0 DEAARO COc1ccc2oc(C[NH2+][C@H](C)CN3CCOC3=O)cc2c1 ZINC000095448675 185368418 /nfs/dbraw/zinc/36/84/18/185368418.db2.gz YZTHLDAFXXIHOS-LLVKDONJSA-N 1 0 304.346 2.372 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000097020014 185398193 /nfs/dbraw/zinc/39/81/93/185398193.db2.gz MAJPWIIMNPCDGH-NSHDSACASA-N 1 0 324.306 2.064 50 0 DEAARO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000097092803 185408428 /nfs/dbraw/zinc/40/84/28/185408428.db2.gz YISJUXSNYPUJRW-STQMWFEESA-N 1 0 307.825 2.116 50 0 DEAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000083843431 539390437 /nfs/dbraw/zinc/39/04/37/539390437.db2.gz MGPGHSSQHNVGGB-ZKYQVNSYSA-N 1 0 305.382 2.023 50 0 DEAARO O=C(NC1CC1)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000084041426 539391865 /nfs/dbraw/zinc/39/18/65/539391865.db2.gz KWVHIWDGZVOFOK-WBMJQRKESA-N 1 0 312.417 2.490 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOCC2)[C@H]1c1cccs1 ZINC000247642016 530055184 /nfs/dbraw/zinc/05/51/84/530055184.db2.gz TVEFHTKJKWRLKO-ZFWWWQNUSA-N 1 0 323.462 2.173 50 0 DEAARO CCOc1ccc(C2=CC[N@H+](CC3(CO)COC3)CC2)cc1 ZINC000091813589 539420815 /nfs/dbraw/zinc/42/08/15/539420815.db2.gz PPPYTIZVLNXSQQ-UHFFFAOYSA-N 1 0 303.402 2.183 50 0 DEAARO CC(C)OCCC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000170603913 197786103 /nfs/dbraw/zinc/78/61/03/197786103.db2.gz MBUZIDZXQIKOFO-HNNXBMFYSA-N 1 0 304.434 2.365 50 0 DEAARO CCC[N@H+](CCO)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000068046035 190745029 /nfs/dbraw/zinc/74/50/29/190745029.db2.gz GIUUXNINUHZYFZ-FUHWJXTLSA-N 1 0 307.434 2.146 50 0 DEAARO CCC12CN3CC(C)(CN(C1)C31CC(C)(C)[NH2+]C(C)(C)C1)[C@H]2O ZINC000035572591 282530315 /nfs/dbraw/zinc/53/03/15/282530315.db2.gz JRJSJTNALXNQSJ-RWBZWWBESA-N 1 0 321.509 2.032 50 0 DEAARO CC(C)([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000069973316 190844956 /nfs/dbraw/zinc/84/49/56/190844956.db2.gz BFEKTLWHRDWRDZ-UHFFFAOYSA-N 1 0 304.843 2.104 50 0 DEAARO Cc1ccc(CCNC(=O)c2cccn2C2CC[NH2+]CC2)cn1 ZINC000170049080 539614155 /nfs/dbraw/zinc/61/41/55/539614155.db2.gz LFDNJPJRFLDOIT-UHFFFAOYSA-N 1 0 312.417 2.089 50 0 DEAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000170043169 539614384 /nfs/dbraw/zinc/61/43/84/539614384.db2.gz KSOJDNPAWNJTGF-XUHFEKCNSA-N 1 0 322.474 2.332 50 0 DEAARO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)n2)c(C)c1 ZINC000150720320 186059815 /nfs/dbraw/zinc/05/98/15/186059815.db2.gz OXQIQGKGCFWKOS-YPMHNXCESA-N 1 0 317.414 2.088 50 0 DEAARO C[C@@H]1CN([C@@H](C[NH2+]Cc2ncc[nH]2)c2cccs2)CCO1 ZINC000072273394 191095142 /nfs/dbraw/zinc/09/51/42/191095142.db2.gz PLBBJZPHIIPILA-OLZOCXBDSA-N 1 0 306.435 2.023 50 0 DEAARO CO[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000072274195 191096243 /nfs/dbraw/zinc/09/62/43/191096243.db2.gz UWPYKAKDPIDHIT-CVEARBPZSA-N 1 0 305.422 2.110 50 0 DEAARO C[C@H](C(=O)NCc1ccc(CO)c(F)c1)[NH+]1CCCCCC1 ZINC000175646521 186184840 /nfs/dbraw/zinc/18/48/40/186184840.db2.gz OXBVUDKOCZTOOU-CYBMUJFWSA-N 1 0 308.397 2.199 50 0 DEAARO CCCc1noc(CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000072297872 191113194 /nfs/dbraw/zinc/11/31/94/191113194.db2.gz GGVKGCDXMYYBOW-ZDUSSCGKSA-N 1 0 324.469 2.437 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CC[NH2+][C@@H](C)C3)c2)cc1 ZINC000237447927 186290538 /nfs/dbraw/zinc/29/05/38/186290538.db2.gz PQKUVRQZJBULTL-ZDUSSCGKSA-N 1 0 311.385 2.191 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C ZINC000253371009 186301575 /nfs/dbraw/zinc/30/15/75/186301575.db2.gz ZLHMPQHECKCFLB-JHNDHUHGSA-N 1 0 302.418 2.048 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000253401734 186306776 /nfs/dbraw/zinc/30/67/76/186306776.db2.gz FVBNVOMBGIVTTP-XJKSGUPXSA-N 1 0 316.449 2.235 50 0 biogenic DEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccnc2OC)C1 ZINC000072304801 191116989 /nfs/dbraw/zinc/11/69/89/191116989.db2.gz PBLMXFKXVFOMDQ-ZDUSSCGKSA-N 1 0 306.410 2.286 50 0 DEAARO Cc1nc([C@H](C)n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cs1 ZINC000072422478 191157932 /nfs/dbraw/zinc/15/79/32/191157932.db2.gz UDZMEDJOWRGQRH-JTQLQIEISA-N 1 0 314.418 2.224 50 0 DEAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000617391173 363118827 /nfs/dbraw/zinc/11/88/27/363118827.db2.gz SSVSWCHHKNXWPW-REYLDHOESA-N 1 0 314.838 2.180 50 0 DEAARO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1 ZINC000000110086 180696523 /nfs/dbraw/zinc/69/65/23/180696523.db2.gz UJJIWSHIAQHBPD-OAHLLOKOSA-N 1 0 303.426 2.484 50 0 DEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CCC[N@H+](C)CC1 ZINC000072431388 191162423 /nfs/dbraw/zinc/16/24/23/191162423.db2.gz RZHKPAGLPVSNQT-UHFFFAOYSA-N 1 0 314.437 2.163 50 0 DEAARO Cc1nc2c(s1)CCC[C@@H]2Nc1ncnc2c1CC[NH2+]CC2 ZINC000072431884 191164674 /nfs/dbraw/zinc/16/46/74/191164674.db2.gz QKVCYPHKSREJEW-ZDUSSCGKSA-N 1 0 315.446 2.419 50 0 DEAARO CCN1CC[NH+](CCCn2ccnc2-c2cccc(C)n2)CC1 ZINC000072474105 191176775 /nfs/dbraw/zinc/17/67/75/191176775.db2.gz MSRBCUAYPIUWKB-UHFFFAOYSA-N 1 0 313.449 2.281 50 0 DEAARO CC(C)(O)CCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000072479710 191180800 /nfs/dbraw/zinc/18/08/00/191180800.db2.gz QDIQCSYFVMMOIZ-KRWDZBQOSA-N 1 0 316.445 2.310 50 0 DEAARO FC(F)(F)c1ccnc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000029427367 282929181 /nfs/dbraw/zinc/92/91/81/282929181.db2.gz PQUSNUBUHQJUEJ-UHFFFAOYSA-N 1 0 309.295 2.217 50 0 DEAARO C[N@@H+]1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000002019507 353990662 /nfs/dbraw/zinc/99/06/62/353990662.db2.gz YIYNRMJWZJVPOO-KRWDZBQOSA-N 1 0 311.381 2.170 50 0 DEAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2)C1 ZINC000004978470 353993531 /nfs/dbraw/zinc/99/35/31/353993531.db2.gz NCHZHXSMIGSILB-HNNXBMFYSA-N 1 0 320.433 2.481 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc(OC)c1O ZINC000022587945 354054303 /nfs/dbraw/zinc/05/43/03/354054303.db2.gz OCSJIBDYOMTZCG-JSGCOSHPSA-N 1 0 306.406 2.078 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000004487270 181113663 /nfs/dbraw/zinc/11/36/63/181113663.db2.gz JQGFNLQOMCHPEK-HNNXBMFYSA-N 1 0 307.390 2.123 50 0 DEAARO O=C(NC1CC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255779 354680597 /nfs/dbraw/zinc/68/05/97/354680597.db2.gz XMHNVSZXSIBELW-QGZVFWFLSA-N 1 0 322.412 2.125 50 0 DEAARO Cc1ccc(N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)nn1 ZINC000072267393 354900332 /nfs/dbraw/zinc/90/03/32/354900332.db2.gz PHOJDKFGNZWORO-KRWDZBQOSA-N 1 0 311.433 2.323 50 0 DEAARO O=c1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc[nH]1 ZINC000075552067 355092291 /nfs/dbraw/zinc/09/22/91/355092291.db2.gz IXWXKSSSWSKZPU-UHFFFAOYSA-N 1 0 303.793 2.351 50 0 DEAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1 ZINC000004993671 181186595 /nfs/dbraw/zinc/18/65/95/181186595.db2.gz PPWJWBNGFTXWOM-OAHLLOKOSA-N 1 0 307.434 2.440 50 0 DEAARO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000004996574 181187357 /nfs/dbraw/zinc/18/73/57/181187357.db2.gz RYXOJVLTKNOQBB-XJKSGUPXSA-N 1 0 316.401 2.449 50 0 DEAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)o1 ZINC000093133865 355668974 /nfs/dbraw/zinc/66/89/74/355668974.db2.gz CQAQDCJMJYOKNG-CYBMUJFWSA-N 1 0 316.405 2.343 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1cn2cc(Cl)ccc2n1 ZINC000097939047 355706110 /nfs/dbraw/zinc/70/61/10/355706110.db2.gz ZBWDPHYMTBHZDB-UHFFFAOYSA-N 1 0 306.797 2.203 50 0 DEAARO CO[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000106779157 355725688 /nfs/dbraw/zinc/72/56/88/355725688.db2.gz MLCNIXQMQJUZSH-BBWFWOEESA-N 1 0 302.418 2.459 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]CCO[C@H]1CCCC[C@H]1C)CC2 ZINC000106929471 355726559 /nfs/dbraw/zinc/72/65/59/355726559.db2.gz HSTFBVINJUWMGD-KBMXLJTQSA-N 1 0 306.454 2.334 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000005204967 181216101 /nfs/dbraw/zinc/21/61/01/181216101.db2.gz YBCZCMVOTYJLGN-CYBMUJFWSA-N 1 0 301.390 2.391 50 0 DEAARO Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000166030503 355976510 /nfs/dbraw/zinc/97/65/10/355976510.db2.gz XQLQXAFOASGGQK-HNNXBMFYSA-N 1 0 316.380 2.078 50 0 DEAARO CNC(=O)N1CCC([C@@H]2CC[N@@H+](C3CCSCC3)C2)CC1 ZINC000169781647 355983076 /nfs/dbraw/zinc/98/30/76/355983076.db2.gz OHSGDTGTXAQIFL-CQSZACIVSA-N 1 0 311.495 2.255 50 0 DEAARO COc1cccc2cc([C@H](C)NC(=O)[C@@]3(F)CC[NH2+]C3)oc21 ZINC000170677394 355991214 /nfs/dbraw/zinc/99/12/14/355991214.db2.gz RKGGOGWMRNQJJR-MGPLVRAMSA-N 1 0 306.337 2.320 50 0 DEAARO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)no1 ZINC000195542350 356256057 /nfs/dbraw/zinc/25/60/57/356256057.db2.gz ZLRFVKDYSSOPHZ-KKUMJFAQSA-N 1 0 318.421 2.005 50 0 DEAARO CC1(C)[C@H]([NH2+]CCc2nc(-c3ccco3)n[nH]2)[C@@H]2CCO[C@@H]21 ZINC000195550685 356256130 /nfs/dbraw/zinc/25/61/30/356256130.db2.gz UGCSHNLHLJJXPM-GDLCADMTSA-N 1 0 302.378 2.010 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2cc(C)ccc2OC)C1 ZINC000237193727 202185550 /nfs/dbraw/zinc/18/55/50/202185550.db2.gz XHKMTEJIVWPLHU-HEWZJLJBSA-N 1 0 302.418 2.475 50 0 DEAARO CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[NH2+]C1 ZINC000237247435 202203229 /nfs/dbraw/zinc/20/32/29/202203229.db2.gz SJBRZIWCAIFCSS-VIFPVBQESA-N 1 0 315.186 2.156 50 0 DEAARO Cc1ccc2ncn(CCCOC3CC[NH+](C)CC3)c(=O)c2c1 ZINC000584891500 357327027 /nfs/dbraw/zinc/32/70/27/357327027.db2.gz VHLQAVAVJDGKLQ-UHFFFAOYSA-N 1 0 315.417 2.206 50 0 DEAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1cccc(=O)[nH]1 ZINC000584894672 357328606 /nfs/dbraw/zinc/32/86/06/357328606.db2.gz LGLNYKNYMXKJHO-UHFFFAOYSA-N 1 0 303.406 2.316 50 0 DEAARO O=c1c2cccnc2ncn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584896149 357328726 /nfs/dbraw/zinc/32/87/26/357328726.db2.gz AYFXSYIAIRJWSY-HNNXBMFYSA-N 1 0 306.369 2.239 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH]c(C)nc3c2)C1 ZINC000584897609 357329479 /nfs/dbraw/zinc/32/94/79/357329479.db2.gz WHNLABOVZZDUTQ-CYBMUJFWSA-N 1 0 302.378 2.192 50 0 DEAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@H]1CC[C@@H](O)CC1 ZINC000584902674 357331261 /nfs/dbraw/zinc/33/12/61/357331261.db2.gz FDJHZQSGYLCZNE-IYBDPMFKSA-N 1 0 308.466 2.452 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000178963050 198961834 /nfs/dbraw/zinc/96/18/34/198961834.db2.gz YGSJJQHLMFGUPL-SNVBAGLBSA-N 1 0 317.216 2.440 50 0 DEAARO C[NH2+]CC1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC000237347186 202239726 /nfs/dbraw/zinc/23/97/26/202239726.db2.gz RZLKRKVBPKNFEZ-UHFFFAOYSA-N 1 0 304.221 2.404 50 0 DEAARO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)N(C)C ZINC000188166300 200203675 /nfs/dbraw/zinc/20/36/75/200203675.db2.gz XBOLMQLGXUWEAO-NSHDSACASA-N 1 0 313.239 2.448 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC[NH2+]1 ZINC000188430771 200244628 /nfs/dbraw/zinc/24/46/28/200244628.db2.gz WQPGKZMUBFZXFS-LLVKDONJSA-N 1 0 319.792 2.358 50 0 DEAARO Cc1cccc2nc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cn21 ZINC000237839996 202366913 /nfs/dbraw/zinc/36/69/13/202366913.db2.gz AUBAUPFJCWHYFF-GOOCMWNKSA-N 1 0 312.417 2.180 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237923681 202391568 /nfs/dbraw/zinc/39/15/68/202391568.db2.gz NTVLKWGQALUWRF-CQSZACIVSA-N 1 0 312.344 2.230 50 0 DEAARO Cn1cncc1C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000237922474 202391960 /nfs/dbraw/zinc/39/19/60/202391960.db2.gz RFLVQRKOWRCCAX-UHFFFAOYSA-N 1 0 320.387 2.453 50 0 DEAARO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12 ZINC000006070757 181310723 /nfs/dbraw/zinc/31/07/23/181310723.db2.gz CIJVBYRUFLGDHY-LBPRGKRZSA-N 1 0 305.374 2.229 50 0 in-man DEAARO COc1ccc(/C=C\C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1F ZINC000606441773 361008225 /nfs/dbraw/zinc/00/82/25/361008225.db2.gz ZXQJLEYEUYTPQW-UXWAYSASSA-N 1 0 306.381 2.433 50 0 DEAARO CC[NH+]1CCN(Cc2ncnn2-c2cccc(Cl)c2C)CC1 ZINC000670446528 540934462 /nfs/dbraw/zinc/93/44/62/540934462.db2.gz MQOAPGOIHSCTMC-UHFFFAOYSA-N 1 0 319.840 2.367 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C(\C)Cc1ccccc1OC ZINC000606441033 361008471 /nfs/dbraw/zinc/00/84/71/361008471.db2.gz AJYYERCXWVFFRC-WCRPCQDQSA-N 1 0 302.418 2.394 50 0 DEAARO CCc1ccc(Cn2ncnc2CN2CC[NH+](CC)CC2)cc1 ZINC000670463853 540937526 /nfs/dbraw/zinc/93/75/26/540937526.db2.gz LEBPWTVNAUABFK-UHFFFAOYSA-N 1 0 313.449 2.026 50 0 DEAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(F)c(Br)c1 ZINC000195542892 201404257 /nfs/dbraw/zinc/40/42/57/201404257.db2.gz XSKXDRNHIJTPAL-MRVPVSSYSA-N 1 0 303.175 2.174 50 0 DEAARO C[N@H+]1C[C@H]2CC[C@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000091547692 193071300 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Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000022968721 182344209 /nfs/dbraw/zinc/34/42/09/182344209.db2.gz DPQIZTADDSTIRD-AWEZNQCLSA-N 1 0 320.462 2.060 50 0 DEAARO C[C@H]([NH2+]CCN(C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000022788401 182335342 /nfs/dbraw/zinc/33/53/42/182335342.db2.gz SDODVEXMFINUSZ-VIFPVBQESA-N 1 0 304.221 2.472 50 0 DEAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CCCC2)cc1 ZINC000022790322 182335402 /nfs/dbraw/zinc/33/54/02/182335402.db2.gz LAOHVZJDOZRPER-AWEZNQCLSA-N 1 0 305.422 2.098 50 0 DEAARO CC(=O)N1CCC([N@@H+]2CCO[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000023340517 182357064 /nfs/dbraw/zinc/35/70/64/182357064.db2.gz OSHBQMZAWSGACG-GOSISDBHSA-N 1 0 320.408 2.080 50 0 DEAARO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(F)c(Cl)c1 ZINC000023249668 182354174 /nfs/dbraw/zinc/35/41/74/182354174.db2.gz CRPQIFAPBPUTDK-GFCCVEGCSA-N 1 0 311.788 2.198 50 0 DEAARO CCCn1ncc(-c2nc([C@@H]3CCC[N@H+](C)C3)cc(=O)[nH]2)c1C ZINC000023379556 182359150 /nfs/dbraw/zinc/35/91/50/182359150.db2.gz HDWYUXNFBWTATI-CYBMUJFWSA-N 1 0 315.421 2.161 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc2c1OCO2 ZINC000023471812 182361305 /nfs/dbraw/zinc/36/13/05/182361305.db2.gz GSPDPXFEAVMOBG-GXTWGEPZSA-N 1 0 304.390 2.092 50 0 DEAARO COc1ccccc1[C@H](CNc1cc(Cl)nc(N)n1)[NH+](C)C ZINC000024056475 182374119 /nfs/dbraw/zinc/37/41/19/182374119.db2.gz RFCBIOHTMMEXGC-NSHDSACASA-N 1 0 321.812 2.436 50 0 DEAARO CCCN(CCO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024689418 182387871 /nfs/dbraw/zinc/38/78/71/182387871.db2.gz WJYUABMLWZVMBQ-UHFFFAOYSA-N 1 0 319.449 2.065 50 0 DEAARO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccccc2F)C[C@H](C)O1 ZINC000024989644 182397636 /nfs/dbraw/zinc/39/76/36/182397636.db2.gz OITMCHWUPWTIQX-BETUJISGSA-N 1 0 309.385 2.447 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@H](C)CN1CCCC1=O)O[C@H](C)C2 ZINC000040153275 183040263 /nfs/dbraw/zinc/04/02/63/183040263.db2.gz HPWKUKCTWYLOFW-CHWSQXEVSA-N 1 0 318.417 2.119 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000040153237 183040269 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CC(C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000106577562 194232538 /nfs/dbraw/zinc/23/25/38/194232538.db2.gz VKKNIVOUEHTECF-ROUUACIJSA-N 1 0 316.445 2.478 50 0 DEAARO CC[C@H]([NH2+][C@H](C)[C@H](C)n1cccn1)C(=O)Nc1cc(C)on1 ZINC000106668544 194242048 /nfs/dbraw/zinc/24/20/48/194242048.db2.gz SREOEYSOSYDTQA-AGIUHOORSA-N 1 0 305.382 2.136 50 0 DEAARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000110646156 194345509 /nfs/dbraw/zinc/34/55/09/194345509.db2.gz PWGFNXILOHDUAY-UONOGXRCSA-N 1 0 303.431 2.410 50 0 DEAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000110797736 194360159 /nfs/dbraw/zinc/36/01/59/194360159.db2.gz OXSZZFGFTPZAMT-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO CC1=NN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000057554280 184041826 /nfs/dbraw/zinc/04/18/26/184041826.db2.gz DSWROGUOGAEZNL-HNNXBMFYSA-N 1 0 312.417 2.239 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(NC(=O)C2CC2)c1 ZINC000057553147 184042072 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OCCOc1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000065455120 184347872 /nfs/dbraw/zinc/34/78/72/184347872.db2.gz CEDIQCGKYXSBSQ-WMZOPIPTSA-N 1 0 305.418 2.185 50 0 DEAARO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccc(F)cc1 ZINC000065457518 184348420 /nfs/dbraw/zinc/34/84/20/184348420.db2.gz HDEZTWPMTUUQIM-INIZCTEOSA-N 1 0 312.348 2.434 50 0 DEAARO Cc1cc(C)n(-c2cccc(C[N@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)c2)n1 ZINC000065470541 184350939 /nfs/dbraw/zinc/35/09/39/184350939.db2.gz JOGFTNXRFPOEFF-AEFFLSMTSA-N 1 0 324.428 2.342 50 0 DEAARO COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000065489894 184353292 /nfs/dbraw/zinc/35/32/92/184353292.db2.gz HUILSNAPJBAKPZ-OAHLLOKOSA-N 1 0 301.390 2.435 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000066125090 184390997 /nfs/dbraw/zinc/39/09/97/184390997.db2.gz SMBVPMAGOMMTHR-NSHDSACASA-N 1 0 321.450 2.004 50 0 DEAARO O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H](n2cccn2)C1 ZINC000065624403 184375300 /nfs/dbraw/zinc/37/53/00/184375300.db2.gz ORMCMVSVKYAAIL-MRXNPFEDSA-N 1 0 304.438 2.313 50 0 DEAARO C[C@@H](NC(=O)CC[NH2+][C@@H](C)Cn1cccn1)c1ccccc1 ZINC000069387558 184511647 /nfs/dbraw/zinc/51/16/47/184511647.db2.gz MKRQBNYLZZEYLM-LSDHHAIUSA-N 1 0 300.406 2.129 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2C)C1 ZINC000159047593 197321368 /nfs/dbraw/zinc/32/13/68/197321368.db2.gz SSTGPSFEVBVIFZ-ZDUSSCGKSA-N 1 0 306.406 2.084 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000157693133 197208418 /nfs/dbraw/zinc/20/84/18/197208418.db2.gz QUZANIJCTHORKS-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2occc2Br)C1 ZINC000156397060 197110504 /nfs/dbraw/zinc/11/05/04/197110504.db2.gz LXXVLOSEVCATGO-IUCAKERBSA-N 1 0 301.184 2.242 50 0 DEAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CCN1c1ccccc1 ZINC000240407453 296433386 /nfs/dbraw/zinc/43/33/86/296433386.db2.gz FMGPWVVGYAXRFL-YLFCFFPRSA-N 1 0 300.402 2.339 50 0 DEAARO c1ccc2[nH]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000270600305 257237993 /nfs/dbraw/zinc/23/79/93/257237993.db2.gz VTZUFFAEKRBFII-ZDUSSCGKSA-N 1 0 300.406 2.476 50 0 DEAARO CC1=C[C@@H](C)CN(C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)C1 ZINC000685941583 542768554 /nfs/dbraw/zinc/76/85/54/542768554.db2.gz FMHZWFCLSBJSOW-GFCCVEGCSA-N 1 0 302.422 2.257 50 0 DEAARO CC[NH+](CC)CC(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000074171326 401732414 /nfs/dbraw/zinc/73/24/14/401732414.db2.gz YHSFADSGEWVWLY-UHFFFAOYSA-N 1 0 308.397 2.289 50 0 DEAARO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000006937559 401734769 /nfs/dbraw/zinc/73/47/69/401734769.db2.gz CUXCKSIMWNVHKG-RCBQFDQVSA-N 1 0 313.825 2.235 50 0 DEAARO COc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007682564 401742661 /nfs/dbraw/zinc/74/26/61/401742661.db2.gz RJOZFXRLZJXYQY-UHFFFAOYSA-N 1 0 324.380 2.423 50 0 DEAARO c1ccc(C[N@@H+]2CC[C@H](Nc3nnnn3-c3ccccc3)C2)cc1 ZINC000007980937 401746507 /nfs/dbraw/zinc/74/65/07/401746507.db2.gz IDFQWEACSRBODG-INIZCTEOSA-N 1 0 320.400 2.349 50 0 DEAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000000057321 401687606 /nfs/dbraw/zinc/68/76/06/401687606.db2.gz LSLYOANBFKQKPT-APPDUMDISA-N 1 0 303.358 2.058 50 0 world DEAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(F)cc1 ZINC000000118410 401688273 /nfs/dbraw/zinc/68/82/73/401688273.db2.gz YJAFJKPJRYZPOL-AWEZNQCLSA-N 1 0 319.332 2.084 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000071875668 401690011 /nfs/dbraw/zinc/69/00/11/401690011.db2.gz PIRBFAVZGTWXPV-BBRMVZONSA-N 1 0 307.344 2.359 50 0 DEAARO COc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000240304 401691931 /nfs/dbraw/zinc/69/19/31/401691931.db2.gz NYBUYXYXLYTMED-QGZVFWFLSA-N 1 0 313.397 2.493 50 0 DEAARO CC[C@@](CO)([NH2+]CC(=O)N1CCCCCC1)c1ccccc1 ZINC000071897110 401693921 /nfs/dbraw/zinc/69/39/21/401693921.db2.gz AZQFRGAZZOKFCH-SFHVURJKSA-N 1 0 304.434 2.276 50 0 DEAARO COCCOc1cc(C)ccc1NC(=O)NCC[N@H+](C)C1CC1 ZINC000071902363 401695241 /nfs/dbraw/zinc/69/52/41/401695241.db2.gz WVXMUMYCSCBAKO-UHFFFAOYSA-N 1 0 321.421 2.236 50 0 DEAARO CC1(C)CC(NC(=O)N[C@H](CO)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000071922607 401697995 /nfs/dbraw/zinc/69/79/95/401697995.db2.gz GSHFPFQFHPJLLW-OAHLLOKOSA-N 1 0 319.449 2.328 50 0 DEAARO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000072269144 401704992 /nfs/dbraw/zinc/70/49/92/401704992.db2.gz XENJAMUDHZGBDS-SJORKVTESA-N 1 0 316.445 2.022 50 0 DEAARO c1ccc(-c2nnc(CN3CCC4(CC3)OCCO4)o2)cc1 ZINC000001893348 401710964 /nfs/dbraw/zinc/71/09/64/401710964.db2.gz HMVAPOLUUPTQDQ-UHFFFAOYSA-N 1 0 301.346 2.076 50 0 DEAARO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1I ZINC000002516053 401714681 /nfs/dbraw/zinc/71/46/81/401714681.db2.gz BGMZUEKZENQUJY-SSDOTTSWSA-N 1 0 321.158 2.198 50 0 in-vivo DEAARO Cc1c(C)n(-c2nccs2)c2ncnc(NCC[NH+](C)C)c12 ZINC000013655722 401802380 /nfs/dbraw/zinc/80/23/80/401802380.db2.gz LIOCLAGOFAUNAC-UHFFFAOYSA-N 1 0 316.434 2.467 50 0 DEAARO COc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013670577 401802931 /nfs/dbraw/zinc/80/29/31/401802931.db2.gz IKCGVQHTXVAYML-CQSZACIVSA-N 1 0 306.406 2.065 50 0 DEAARO C[NH2+]CC(c1ccc(O)c(C)c1O)c1ccc(O)c(C)c1O ZINC000013719333 401803487 /nfs/dbraw/zinc/80/34/87/401803487.db2.gz XAHYMSGFCLFUHD-UHFFFAOYSA-N 1 0 303.358 2.477 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@@H]3CCCCO3)C2)nn1 ZINC000075128825 401750485 /nfs/dbraw/zinc/75/04/85/401750485.db2.gz JRRJMLLAOXJPFG-CVEARBPZSA-N 1 0 304.438 2.255 50 0 DEAARO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000075582287 401763432 /nfs/dbraw/zinc/76/34/32/401763432.db2.gz PEZXOXKEEJBKKQ-UHFFFAOYSA-N 1 0 316.380 2.410 50 0 DEAARO COc1ccc(OCC[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000009690489 401765047 /nfs/dbraw/zinc/76/50/47/401765047.db2.gz VWYDNHNIVLBISM-UHFFFAOYSA-N 1 0 314.385 2.305 50 0 DEAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1COc2ccccc2O1 ZINC000010111196 401768030 /nfs/dbraw/zinc/76/80/30/401768030.db2.gz YLAKKHYHOPTGPM-KRWDZBQOSA-N 1 0 318.417 2.209 50 0 DEAARO CC(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010299705 401769358 /nfs/dbraw/zinc/76/93/58/401769358.db2.gz VMJCVIZTSXEKFH-UHFFFAOYSA-N 1 0 303.406 2.251 50 0 DEAARO CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000010691401 401771982 /nfs/dbraw/zinc/77/19/82/401771982.db2.gz DRYMTQWCHGWWOV-UHFFFAOYSA-N 1 0 301.434 2.060 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NC2CC2)nc1 ZINC000011813037 401776554 /nfs/dbraw/zinc/77/65/54/401776554.db2.gz MIZDBPLRHGIVQG-HNNXBMFYSA-N 1 0 302.422 2.260 50 0 DEAARO COc1ccc(OC)c(COC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000012420219 401785577 /nfs/dbraw/zinc/78/55/77/401785577.db2.gz QTRBPWTVSGDPMB-GDBMZVCRSA-N 1 0 323.433 2.313 50 0 DEAARO C[NH+](C)CC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCO1 ZINC000012432504 401785692 /nfs/dbraw/zinc/78/56/92/401785692.db2.gz VZTCIIOWZGCJKC-CYBMUJFWSA-N 1 0 309.479 2.174 50 0 DEAARO CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000012441388 401785827 /nfs/dbraw/zinc/78/58/27/401785827.db2.gz UOMLPZQVIFELHZ-UHFFFAOYSA-N 1 0 321.396 2.001 50 0 DEAARO O=C1C[C@@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccc(F)cc1 ZINC000012443320 401786111 /nfs/dbraw/zinc/78/61/11/401786111.db2.gz LZCZFOWHKPLVQL-MRXNPFEDSA-N 1 0 314.360 2.422 50 0 DEAARO Cc1nc2sccn2c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000012547660 401788194 /nfs/dbraw/zinc/78/81/94/401788194.db2.gz RDVMKCGSIBNJAN-LBPRGKRZSA-N 1 0 323.385 2.150 50 0 DEAARO O=C1C[C@H]([NH2+]CCCn2cccn2)CN1CC1CCCCC1 ZINC000012572161 401788452 /nfs/dbraw/zinc/78/84/52/401788452.db2.gz HXPGJKSYAKUNCJ-INIZCTEOSA-N 1 0 304.438 2.044 50 0 DEAARO COc1ccc(OC)c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012716933 401790185 /nfs/dbraw/zinc/79/01/85/401790185.db2.gz CKNUWTXDBDCFDO-QITLCBANSA-N 1 0 316.401 2.071 50 0 DEAARO COc1cccc(C[N@@H+]2CCc3[nH]c(=S)[nH]c(=O)c3C2)c1 ZINC000013118764 401796484 /nfs/dbraw/zinc/79/64/84/401796484.db2.gz ZZOSXTIXGSBQOL-UHFFFAOYSA-N 1 0 303.387 2.412 50 0 DEAARO NC(=O)C1([NH2+]C2CCCCC2)CCN(Cc2ccccc2)CC1 ZINC000017003626 401820040 /nfs/dbraw/zinc/82/00/40/401820040.db2.gz WVWNBANESWUIBO-UHFFFAOYSA-N 1 0 315.461 2.429 50 0 DEAARO C[C@H](NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccco1 ZINC000077656242 401824086 /nfs/dbraw/zinc/82/40/86/401824086.db2.gz WBIBFGOIIQSOQG-GUYCJALGSA-N 1 0 308.422 2.378 50 0 DEAARO CC(C)=CC[N@H+]1CCN(Cc2cnn(C(C)C)c2)C[C@@H]1CCO ZINC000020995524 401825065 /nfs/dbraw/zinc/82/50/65/401825065.db2.gz KADZIPAJKIWBHV-SFHVURJKSA-N 1 0 320.481 2.299 50 0 DEAARO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000025368471 401832981 /nfs/dbraw/zinc/83/29/81/401832981.db2.gz GLXWYBBSJKSEGY-UHFFFAOYSA-N 1 0 316.854 2.411 50 0 DEAARO COc1ncccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025332373 401833031 /nfs/dbraw/zinc/83/30/31/401833031.db2.gz PGESAEGFZXHTJQ-ZDUSSCGKSA-N 1 0 305.403 2.184 50 0 DEAARO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1 ZINC000027373289 401845287 /nfs/dbraw/zinc/84/52/87/401845287.db2.gz SOAZRFLTLZFXBL-UHFFFAOYSA-N 1 0 302.349 2.435 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000027584104 401846623 /nfs/dbraw/zinc/84/66/23/401846623.db2.gz IGWKBBZGGKZIPN-MRXNPFEDSA-N 1 0 315.417 2.123 50 0 DEAARO CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000028631193 401852780 /nfs/dbraw/zinc/85/27/80/401852780.db2.gz NMPOSNRHZIWLLL-FZKCQIBNSA-N 1 0 317.385 2.258 50 0 endogenous,world DEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000040536421 401925746 /nfs/dbraw/zinc/92/57/46/401925746.db2.gz AXXHOIGITVOVIH-UHFFFAOYSA-N 1 0 315.461 2.407 50 0 DEAARO Cc1ccc(S(=O)(=O)NCCc2[nH+]cc3ccccn32)s1 ZINC000031773181 401873672 /nfs/dbraw/zinc/87/36/72/401873672.db2.gz DOGLTMIVGKWLTH-UHFFFAOYSA-N 1 0 321.427 2.225 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnccn1)c1ccsc1 ZINC000031987649 401876015 /nfs/dbraw/zinc/87/60/15/401876015.db2.gz BVBSBKHTFYLDOI-AWEZNQCLSA-N 1 0 304.419 2.351 50 0 DEAARO [NH3+]CCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000032198667 401876994 /nfs/dbraw/zinc/87/69/94/401876994.db2.gz CTLBCDLRDWPVHW-UHFFFAOYSA-N 1 0 304.390 2.425 50 0 DEAARO CC(=O)Nc1nc(C(=O)NC[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC000032348965 401878038 /nfs/dbraw/zinc/87/80/38/401878038.db2.gz OVDLWPUTFSGCSL-LLVKDONJSA-N 1 0 324.450 2.096 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCO3)c(C)c2)CC1 ZINC000032978523 401887202 /nfs/dbraw/zinc/88/72/02/401887202.db2.gz WLWWLLKIRRIBAY-QGZVFWFLSA-N 1 0 317.433 2.254 50 0 DEAARO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)C1CCCC1)[nH]c2=O ZINC000035334048 401899078 /nfs/dbraw/zinc/89/90/78/401899078.db2.gz GFYOQTKHLMECMQ-UHFFFAOYSA-N 1 0 315.373 2.496 50 0 DEAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000037116478 401910739 /nfs/dbraw/zinc/91/07/39/401910739.db2.gz AQBFFFDZNHZELE-MRVPVSSYSA-N 1 0 309.218 2.105 50 0 DEAARO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)CC12CCCC2 ZINC000085472713 401917068 /nfs/dbraw/zinc/91/70/68/401917068.db2.gz CYFOCMKNRCQNRE-UHFFFAOYSA-N 1 0 305.422 2.311 50 0 DEAARO C[C@H](O)C[NH2+]CCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000038246116 401922804 /nfs/dbraw/zinc/92/28/04/401922804.db2.gz RAFNFWJWBDXRDD-KBPBESRZSA-N 1 0 318.417 2.060 50 0 DEAARO Cc1cccc2c(NCCOCCS(C)(=O)=O)cc[nH+]c12 ZINC000089689033 401957565 /nfs/dbraw/zinc/95/75/65/401957565.db2.gz ZHBWUGACZCMZEY-UHFFFAOYSA-N 1 0 308.403 2.016 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)C(=O)NC1CCC(C)CC1 ZINC000089922639 401973571 /nfs/dbraw/zinc/97/35/71/401973571.db2.gz SGOLMYORLCTRJY-PWUWZPNHSA-N 1 0 318.465 2.434 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000089929796 401974291 /nfs/dbraw/zinc/97/42/91/401974291.db2.gz JDWGEVKLRGRJMV-QBPKDAKJSA-N 1 0 323.481 2.365 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc2ccccc2[nH]1 ZINC000047144574 401979394 /nfs/dbraw/zinc/97/93/94/401979394.db2.gz LQJMEJNCMWOHDN-CQSZACIVSA-N 1 0 314.433 2.486 50 0 DEAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000047147556 401979435 /nfs/dbraw/zinc/97/94/35/401979435.db2.gz CGPPFEICGIQHPX-OAHLLOKOSA-N 1 0 312.417 2.334 50 0 DEAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3c(s2)CCC3)C[C@H](C)O1 ZINC000047681697 401987276 /nfs/dbraw/zinc/98/72/76/401987276.db2.gz YSHPNXRYLOIHAS-BETUJISGSA-N 1 0 322.474 2.466 50 0 DEAARO CC(C)(C)OC(=O)N1CCN(c2ccc3[nH+]ccn3c2)CC1 ZINC000089201344 401938590 /nfs/dbraw/zinc/93/85/90/401938590.db2.gz SRIPNOBMGZDKKN-UHFFFAOYSA-N 1 0 302.378 2.391 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000089314056 401942308 /nfs/dbraw/zinc/94/23/08/401942308.db2.gz HXWZZQSFMKKUMR-AWEZNQCLSA-N 1 0 311.376 2.243 50 0 DEAARO CCCc1nnc(N2CCN(c3cc(C)[nH+]c(C)c3)CC2)o1 ZINC000095364377 402028385 /nfs/dbraw/zinc/02/83/85/402028385.db2.gz AWXJMPHATSDMJB-UHFFFAOYSA-N 1 0 301.394 2.361 50 0 DEAARO CN(C)c1ccc(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000095366475 402028635 /nfs/dbraw/zinc/02/86/35/402028635.db2.gz VDVMFRVSPWMJNZ-KRWDZBQOSA-N 1 0 303.450 2.286 50 0 DEAARO CC(C)c1nnsc1CNC(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000095376383 402029932 /nfs/dbraw/zinc/02/99/32/402029932.db2.gz HIFJDXIPXZRLCW-GFCCVEGCSA-N 1 0 310.467 2.400 50 0 DEAARO Cc1cccc(-c2noc(CN3CC[C@@H](C[NH+](C)C)C3)n2)c1 ZINC000095959301 402036904 /nfs/dbraw/zinc/03/69/04/402036904.db2.gz QOAJNYBALNVUNO-AWEZNQCLSA-N 1 0 300.406 2.429 50 0 DEAARO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)CCC2 ZINC000095969381 402038363 /nfs/dbraw/zinc/03/83/63/402038363.db2.gz DBYBVYIPWHCXAN-GHMZBOCLSA-N 1 0 316.492 2.496 50 0 DEAARO COc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)n[nH]c2C)ccc1F ZINC000095985222 402042546 /nfs/dbraw/zinc/04/25/46/402042546.db2.gz ZDQBBKXETIZVRT-VIFPVBQESA-N 1 0 320.368 2.464 50 0 DEAARO CCOC(=O)[C@H](C(C)C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000095996053 402044782 /nfs/dbraw/zinc/04/47/82/402044782.db2.gz PTGKAAZKMIHJFE-CABCVRRESA-N 1 0 312.454 2.058 50 0 DEAARO C[C@@H](CO)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096010120 402046711 /nfs/dbraw/zinc/04/67/11/402046711.db2.gz DXJGDNQWFPZVNI-SECBINFHSA-N 1 0 315.204 2.292 50 0 DEAARO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)c3cccc(F)c3)C2)n1 ZINC000052863010 402048516 /nfs/dbraw/zinc/04/85/16/402048516.db2.gz JCADFAKOMRRYFL-ZFWWWQNUSA-N 1 0 305.353 2.430 50 0 DEAARO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000097238514 402120105 /nfs/dbraw/zinc/12/01/05/402120105.db2.gz QNCDNLMZDLPLEN-PVAVHDDUSA-N 1 0 304.434 2.347 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000096404213 402078368 /nfs/dbraw/zinc/07/83/68/402078368.db2.gz XJINOUWXAWTJIN-LLVKDONJSA-N 1 0 312.211 2.010 50 0 DEAARO Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096412720 402080668 /nfs/dbraw/zinc/08/06/68/402080668.db2.gz ZMARWCGYLIUWOC-HNNXBMFYSA-N 1 0 302.418 2.226 50 0 DEAARO CCc1oc(C(=O)NCc2ccnn2C)cc1C[NH+](CC)CC ZINC000055403126 402081793 /nfs/dbraw/zinc/08/17/93/402081793.db2.gz HSSJMVRYBAIXBG-UHFFFAOYSA-N 1 0 318.421 2.347 50 0 DEAARO O=C(Cc1ccccc1O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000096439121 402086709 /nfs/dbraw/zinc/08/67/09/402086709.db2.gz HPZWLGAEFSTQEY-UHFFFAOYSA-N 1 0 302.418 2.269 50 0 DEAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)c1 ZINC000096441495 402087581 /nfs/dbraw/zinc/08/75/81/402087581.db2.gz SIQLXFSKJGPPGM-MRXNPFEDSA-N 1 0 315.417 2.039 50 0 DEAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2nncn2c1 ZINC000096451803 402090449 /nfs/dbraw/zinc/09/04/49/402090449.db2.gz FMASBDOYQHSDCC-UHFFFAOYSA-N 1 0 309.373 2.352 50 0 DEAARO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000096478052 402093695 /nfs/dbraw/zinc/09/36/95/402093695.db2.gz ALPSXBROMPTHAP-UKRRQHHQSA-N 1 0 315.417 2.085 50 0 DEAARO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(F)c(F)c1 ZINC000096490727 402096105 /nfs/dbraw/zinc/09/61/05/402096105.db2.gz AWICQVLUKDBGFH-NSHDSACASA-N 1 0 305.328 2.327 50 0 DEAARO COc1ccnc(NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000097286633 402121300 /nfs/dbraw/zinc/12/13/00/402121300.db2.gz CUJVTIHDJOTKEC-UHFFFAOYSA-N 1 0 308.451 2.259 50 0 DEAARO COc1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(C)nn1C ZINC000058342417 402100519 /nfs/dbraw/zinc/10/05/19/402100519.db2.gz OVFGAOVLODQNLV-OAHLLOKOSA-N 1 0 318.421 2.257 50 0 DEAARO O=C1OCCN1CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000058368425 402100676 /nfs/dbraw/zinc/10/06/76/402100676.db2.gz JJDXVXVIAYZJFC-UHFFFAOYSA-N 1 0 302.374 2.324 50 0 DEAARO C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CN1C1CC1 ZINC000097081089 402104381 /nfs/dbraw/zinc/10/43/81/402104381.db2.gz QKSQDTVLHBAYML-GXTWGEPZSA-N 1 0 306.479 2.327 50 0 DEAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000097101285 402107202 /nfs/dbraw/zinc/10/72/02/402107202.db2.gz ZJUHQXQVLAXZSC-CWRNSKLLSA-N 1 0 302.422 2.107 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000097159345 402112386 /nfs/dbraw/zinc/11/23/86/402112386.db2.gz ALMXGBZJSAYDCR-KRWDZBQOSA-N 1 0 318.396 2.020 50 0 DEAARO Cn1cc(C2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)cn1 ZINC000097203049 402117649 /nfs/dbraw/zinc/11/76/49/402117649.db2.gz OGBLYTUWGFKVHV-QGZVFWFLSA-N 1 0 303.381 2.472 50 0 DEAARO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)c(F)c1 ZINC000097230755 402118607 /nfs/dbraw/zinc/11/86/07/402118607.db2.gz BRNWWCRBFYQDFM-GHMZBOCLSA-N 1 0 305.390 2.481 50 0 DEAARO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000097235582 402119319 /nfs/dbraw/zinc/11/93/19/402119319.db2.gz ROELRBSYKQGJHT-CYBMUJFWSA-N 1 0 323.437 2.148 50 0 DEAARO CCc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[NH2+][C@@H]4C3)[nH]n2)cc1 ZINC000096132027 402061395 /nfs/dbraw/zinc/06/13/95/402061395.db2.gz DICFIMNLRUXTKA-MAUKXSAKSA-N 1 0 324.428 2.463 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000097237891 402119750 /nfs/dbraw/zinc/11/97/50/402119750.db2.gz APVYXLYMRCCMHZ-QGZVFWFLSA-N 1 0 302.418 2.060 50 0 DEAARO Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)n(C)n1 ZINC000097572142 402127473 /nfs/dbraw/zinc/12/74/73/402127473.db2.gz DAZOYFALZUQLNU-UHFFFAOYSA-N 1 0 312.417 2.254 50 0 DEAARO O=C(C[C@H]1COCC[NH2+]1)NCC(c1ccccc1)c1ccccc1 ZINC000097655368 402129251 /nfs/dbraw/zinc/12/92/51/402129251.db2.gz AGCGVCLXJDVAES-SFHVURJKSA-N 1 0 324.424 2.313 50 0 DEAARO COc1ccccc1C[C@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153250883 402135582 /nfs/dbraw/zinc/13/55/82/402135582.db2.gz DPSSECGOGNIJLU-SOUVJXGZSA-N 1 0 304.434 2.473 50 0 DEAARO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000097371005 402123094 /nfs/dbraw/zinc/12/30/94/402123094.db2.gz MFHDNRXTGKARBC-OAHLLOKOSA-N 1 0 305.447 2.171 50 0 DEAARO COc1ccccc1C[C@@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000066894177 402145773 /nfs/dbraw/zinc/14/57/73/402145773.db2.gz RKYLWSHDJDSELM-HNNXBMFYSA-N 1 0 318.417 2.402 50 0 DEAARO COc1ccccc1C/C(C)=C/C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153564353 402153432 /nfs/dbraw/zinc/15/34/32/402153432.db2.gz OPPOSUJSARBPEZ-JBBMIMBXSA-N 1 0 302.418 2.393 50 0 DEAARO CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000067227386 402154446 /nfs/dbraw/zinc/15/44/46/402154446.db2.gz GKCGRWDLKJSZCV-AWEZNQCLSA-N 1 0 305.422 2.055 50 0 DEAARO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000103416516 402187413 /nfs/dbraw/zinc/18/74/13/402187413.db2.gz DCEWLIMBAGLBFQ-GOEBONIOSA-N 1 0 323.433 2.313 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccncc3)cc2)CC1 ZINC000068232049 402188341 /nfs/dbraw/zinc/18/83/41/402188341.db2.gz FECQURSNCUOZRS-FARCUNLSSA-N 1 0 322.412 2.485 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000154080128 402190913 /nfs/dbraw/zinc/19/09/13/402190913.db2.gz FKKGSGHJWOOREW-IUCAKERBSA-N 1 0 315.186 2.411 50 0 DEAARO COc1ccc2nc(C)cc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000154120317 402193232 /nfs/dbraw/zinc/19/32/32/402193232.db2.gz OKAFMVAUMJRPGK-CHWSQXEVSA-N 1 0 313.401 2.374 50 0 DEAARO CCC[NH+](CCC)CCNc1c(=O)c(=O)c1-c1ccccc1 ZINC000101982282 402159877 /nfs/dbraw/zinc/15/98/77/402159877.db2.gz PTLKPPBLNWKRIJ-UHFFFAOYSA-N 1 0 300.402 2.484 50 0 DEAARO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000067696669 402167869 /nfs/dbraw/zinc/16/78/69/402167869.db2.gz NBCLNWYTVSKUNF-LBPRGKRZSA-N 1 0 306.797 2.440 50 0 DEAARO C[NH+]1CCC(n2nc([C@H]3CCOC3)nc2C2CC=CC2)CC1 ZINC000102534049 402168200 /nfs/dbraw/zinc/16/82/00/402168200.db2.gz QHPCYTPMEADJBA-AWEZNQCLSA-N 1 0 302.422 2.482 50 0 DEAARO C[C@H]1CN(Cc2cnc(NCc3ccccc3)nc2)CC[N@@H+]1C ZINC000067757292 402171847 /nfs/dbraw/zinc/17/18/47/402171847.db2.gz IRAISNTVORGEPP-HNNXBMFYSA-N 1 0 311.433 2.225 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cccnc3n2)C1 ZINC000067788674 402172252 /nfs/dbraw/zinc/17/22/52/402172252.db2.gz HAHQTZWNWQMHAE-AWEZNQCLSA-N 1 0 312.417 2.338 50 0 DEAARO CC(=O)c1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067833418 402174319 /nfs/dbraw/zinc/17/43/19/402174319.db2.gz KDLJLHIONIEFSW-QGZVFWFLSA-N 1 0 301.390 2.497 50 0 DEAARO CC1(C)CCC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C1 ZINC000067834154 402174382 /nfs/dbraw/zinc/17/43/82/402174382.db2.gz BWCHSVAKGWAZGZ-INIZCTEOSA-N 1 0 317.481 2.157 50 0 DEAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1cncnc1 ZINC000067871397 402177098 /nfs/dbraw/zinc/17/70/98/402177098.db2.gz BJAPGDCDZIISTM-CQSZACIVSA-N 1 0 314.389 2.102 50 0 DEAARO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000067880548 402177597 /nfs/dbraw/zinc/17/75/97/402177597.db2.gz KLNMJMPKLDBPLD-HNNXBMFYSA-N 1 0 302.484 2.218 50 0 DEAARO Cn1cc(/C=C/C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cn1 ZINC000067895265 402177926 /nfs/dbraw/zinc/17/79/26/402177926.db2.gz PPCXUXYTXXZCTD-BQYQJAHWSA-N 1 0 316.449 2.348 50 0 DEAARO Cc1sc2ncnc(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1C ZINC000106839957 402217425 /nfs/dbraw/zinc/21/74/25/402217425.db2.gz XUFASJDMKLYYLW-QWRGUYRKSA-N 1 0 320.462 2.199 50 0 DEAARO Cc1ncc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000106856418 402218053 /nfs/dbraw/zinc/21/80/53/402218053.db2.gz INTLEBLZIURXOB-GHMZBOCLSA-N 1 0 310.829 2.289 50 0 DEAARO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)[C@H](C)n1cccn1 ZINC000069372380 402220491 /nfs/dbraw/zinc/22/04/91/402220491.db2.gz ZWUKVWYBQMBHHP-KGLIPLIRSA-N 1 0 310.405 2.418 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000069370518 402220518 /nfs/dbraw/zinc/22/05/18/402220518.db2.gz ACWSFOJVNLJRCC-NVXWUHKLSA-N 1 0 312.417 2.225 50 0 DEAARO C[C@H]1CN([C@H](C[NH2+]Cc2ncc[nH]2)c2cccs2)CCO1 ZINC000106910342 402221785 /nfs/dbraw/zinc/22/17/85/402221785.db2.gz PLBBJZPHIIPILA-QWHCGFSZSA-N 1 0 306.435 2.023 50 0 DEAARO CCn1nc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000069489773 402226699 /nfs/dbraw/zinc/22/66/99/402226699.db2.gz YKQNUHLLBGXBJD-HUUCEWRRSA-N 1 0 304.438 2.219 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000125348626 402227634 /nfs/dbraw/zinc/22/76/34/402227634.db2.gz KXASGEMZICPPPR-SNVBAGLBSA-N 1 0 300.761 2.068 50 0 DEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000107317397 402230187 /nfs/dbraw/zinc/23/01/87/402230187.db2.gz KZHAINZFXLMNGW-XJKSGUPXSA-N 1 0 315.417 2.278 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1cccc(F)c1 ZINC000069557591 402230535 /nfs/dbraw/zinc/23/05/35/402230535.db2.gz BGIONMRZXLGCBQ-CVEARBPZSA-N 1 0 306.381 2.290 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000069581341 402232608 /nfs/dbraw/zinc/23/26/08/402232608.db2.gz SIUPBPSBFBPAAW-LBPRGKRZSA-N 1 0 304.312 2.005 50 0 DEAARO COc1ccccc1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069597413 402233456 /nfs/dbraw/zinc/23/34/56/402233456.db2.gz FMQBPUALWPDSQX-CVEARBPZSA-N 1 0 302.418 2.323 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000069666981 402237684 /nfs/dbraw/zinc/23/76/84/402237684.db2.gz FTIYZTMFHQFEDR-KURKYZTESA-N 1 0 320.408 2.334 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]CC(=O)NCCC2=CCCCC2)c1 ZINC000069700119 402239154 /nfs/dbraw/zinc/23/91/54/402239154.db2.gz CRQCINYEJXADAH-OAHLLOKOSA-N 1 0 304.438 2.176 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000069707089 402240314 /nfs/dbraw/zinc/24/03/14/402240314.db2.gz ALKHNDVVYVLVJC-RYUDHWBXSA-N 1 0 321.812 2.245 50 0 DEAARO O[C@@H](CN1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1 ZINC000069739543 402241692 /nfs/dbraw/zinc/24/16/92/402241692.db2.gz QQTXMGVRCLIERR-SFHVURJKSA-N 1 0 318.461 2.033 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1Cl ZINC000069779139 402243698 /nfs/dbraw/zinc/24/36/98/402243698.db2.gz VOKZTRYSFOXSCG-STQMWFEESA-N 1 0 324.856 2.471 50 0 DEAARO C[C@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)n1cccn1 ZINC000069870252 402248439 /nfs/dbraw/zinc/24/84/39/402248439.db2.gz AAXZGTQOXUBXAH-SDDRHHMPSA-N 1 0 321.812 2.498 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000070173573 402258285 /nfs/dbraw/zinc/25/82/85/402258285.db2.gz QSJTWCPTSDCNSM-QWRGUYRKSA-N 1 0 302.827 2.088 50 0 DEAARO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000069084941 402212871 /nfs/dbraw/zinc/21/28/71/402212871.db2.gz TUPDOWVTHRFYHF-INIZCTEOSA-N 1 0 318.417 2.081 50 0 DEAARO OCC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCC1 ZINC000071278584 402271988 /nfs/dbraw/zinc/27/19/88/402271988.db2.gz ZLSCDEPVLXJNRR-UHFFFAOYSA-N 1 0 303.450 2.188 50 0 DEAARO COCCn1ccnc1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000215270579 402281577 /nfs/dbraw/zinc/28/15/77/402281577.db2.gz JEIUTMCXHDEYRT-KRWDZBQOSA-N 1 0 320.481 2.227 50 0 DEAARO COc1ccccc1OCCNC(=O)C[C@H]1CCCC[N@@H+]1C ZINC000215246887 402282425 /nfs/dbraw/zinc/28/24/25/402282425.db2.gz CDQVYVFMCJANDE-CQSZACIVSA-N 1 0 306.406 2.065 50 0 DEAARO O=C(c1cc2c(cccc2F)[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000071829925 402284730 /nfs/dbraw/zinc/28/47/30/402284730.db2.gz AHJMGFMSDUOSAC-UHFFFAOYSA-N 1 0 301.365 2.475 50 0 DEAARO O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)c1cccc(F)c1 ZINC000071832869 402285316 /nfs/dbraw/zinc/28/53/16/402285316.db2.gz GMSDNSKKBSSUNU-HNNXBMFYSA-N 1 0 303.333 2.420 50 0 DEAARO O[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc(F)c1 ZINC000071832873 402285442 /nfs/dbraw/zinc/28/54/42/402285442.db2.gz KDOSLGXSMSXTNB-INIZCTEOSA-N 1 0 316.380 2.039 50 0 DEAARO Cc1nc(NCC2(C[NH+]3CCCC3)CC2)cc(C2CC(O)C2)n1 ZINC000218828829 402296463 /nfs/dbraw/zinc/29/64/63/402296463.db2.gz ULAPRFUSTFCROJ-UHFFFAOYSA-N 1 0 316.449 2.311 50 0 DEAARO Cc1nc2cc(CNC(=O)C[N@H+](C)C3CCCC3)ccc2n1C ZINC000219909921 402299729 /nfs/dbraw/zinc/29/97/29/402299729.db2.gz YFAJIDOSYDFDGF-UHFFFAOYSA-N 1 0 314.433 2.372 50 0 DEAARO COc1ccnc(CNC(=O)C[C@H](C)[NH+]2CCCCCC2)c1 ZINC000220409372 402301539 /nfs/dbraw/zinc/30/15/39/402301539.db2.gz HSWKAZZJALZEDS-AWEZNQCLSA-N 1 0 305.422 2.361 50 0 DEAARO CC1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)OCCO1 ZINC000221795864 402304733 /nfs/dbraw/zinc/30/47/33/402304733.db2.gz OIAZTCNNHAWBIV-GDBMZVCRSA-N 1 0 309.381 2.334 50 0 DEAARO CS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000221868621 402304897 /nfs/dbraw/zinc/30/48/97/402304897.db2.gz DCXCYAXWFSWESW-JKSUJKDBSA-N 1 0 310.463 2.242 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC000222131532 402305516 /nfs/dbraw/zinc/30/55/16/402305516.db2.gz FKJMXTMGISCMPH-UAGQMJEPSA-N 1 0 302.418 2.208 50 0 DEAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000222881764 402308393 /nfs/dbraw/zinc/30/83/93/402308393.db2.gz GQOVOZMIYCATNZ-LSDHHAIUSA-N 1 0 310.463 2.189 50 0 DEAARO CC[C@H](NC(=O)CC[NH+]1Cc2ccccc2C1)C1CC(O)C1 ZINC000223250142 402310380 /nfs/dbraw/zinc/31/03/80/402310380.db2.gz WMUZVTODGXTAPA-JCYILVPMSA-N 1 0 302.418 2.058 50 0 DEAARO Cc1cc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000223385745 402310546 /nfs/dbraw/zinc/31/05/46/402310546.db2.gz JJTKWVVWMDABAK-MRXNPFEDSA-N 1 0 313.401 2.431 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)on1 ZINC000229386083 402342758 /nfs/dbraw/zinc/34/27/58/402342758.db2.gz LAPOVHORYHTNJT-AAEUAGOBSA-N 1 0 301.346 2.291 50 0 DEAARO CN1CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000230134003 402347901 /nfs/dbraw/zinc/34/79/01/402347901.db2.gz GCMBYKVKSKHGDD-HUUCEWRRSA-N 1 0 321.490 2.486 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1 ZINC000237215332 402400089 /nfs/dbraw/zinc/40/00/89/402400089.db2.gz LIFVHCMQLINFTN-HNNXBMFYSA-N 1 0 316.445 2.493 50 0 DEAARO Cc1ccc(N2CCC([NH2+][C@H]3CCN(C(C)C)C3)CC2)nc1 ZINC000163463427 402450178 /nfs/dbraw/zinc/45/01/78/402450178.db2.gz OEBJEKNOSHHKHR-KRWDZBQOSA-N 1 0 302.466 2.431 50 0 DEAARO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CCOC2)cs1 ZINC000242048074 402444774 /nfs/dbraw/zinc/44/47/74/402444774.db2.gz VSMFSECJHIANLT-QEJZJMRPSA-N 1 0 313.442 2.085 50 0 DEAARO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1CC[N@H+](C)[C@H]1C ZINC000242155980 402444834 /nfs/dbraw/zinc/44/48/34/402444834.db2.gz WUWIMNVRUVOQJR-MDZLAQPJSA-N 1 0 312.360 2.189 50 0 DEAARO Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000170593731 402506051 /nfs/dbraw/zinc/50/60/51/402506051.db2.gz SYSQRVUYCPHOBQ-QGZVFWFLSA-N 1 0 312.417 2.354 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000249693927 402638340 /nfs/dbraw/zinc/63/83/40/402638340.db2.gz OEIODNCCLAXJKZ-SOLBZPMBSA-N 1 0 314.429 2.465 50 0 DEAARO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000252535970 402658492 /nfs/dbraw/zinc/65/84/92/402658492.db2.gz HIDCYNSCVWFGTE-LESCRADOSA-N 1 0 323.433 2.245 50 0 DEAARO Cc1ccccc1COC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000252549287 402658638 /nfs/dbraw/zinc/65/86/38/402658638.db2.gz RCDNGCUQQNHXBO-DOTOQJQBSA-N 1 0 320.408 2.203 50 0 DEAARO Oc1ccccc1N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000191223060 402652524 /nfs/dbraw/zinc/65/25/24/402652524.db2.gz NCVZAUQJJPLDJC-SFHVURJKSA-N 1 0 304.434 2.455 50 0 DEAARO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)NCc1cccc(Cl)c1 ZINC000252482397 402654531 /nfs/dbraw/zinc/65/45/31/402654531.db2.gz DERCCYCWQNKCSG-INIZCTEOSA-N 1 0 321.852 2.126 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc2c1ccn2C ZINC000252487342 402655600 /nfs/dbraw/zinc/65/56/00/402655600.db2.gz HUSYHSDBPNQGEL-CQSZACIVSA-N 1 0 315.417 2.158 50 0 DEAARO Cc1nccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000192226270 402718442 /nfs/dbraw/zinc/71/84/42/402718442.db2.gz PTJVZPFCQHYBBU-QGZVFWFLSA-N 1 0 312.417 2.488 50 0 DEAARO CN1CC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)[C@@H]2C1 ZINC000253417142 402664798 /nfs/dbraw/zinc/66/47/98/402664798.db2.gz VIYCJVJKNSCSMJ-XJKSGUPXSA-N 1 0 305.397 2.180 50 0 DEAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)c3ccc[nH]3)C2)CC1 ZINC000253425878 402665826 /nfs/dbraw/zinc/66/58/26/402665826.db2.gz WFMWAXYCRXUVLY-HNNXBMFYSA-N 1 0 317.433 2.168 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000253427588 402665835 /nfs/dbraw/zinc/66/58/35/402665835.db2.gz CUTCLKBSVPAFHR-KBXCAEBGSA-N 1 0 321.465 2.315 50 0 DEAARO C[N@@H+]1CC[C@@H](NC(=O)[C@@H](O)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000253428506 402666401 /nfs/dbraw/zinc/66/64/01/402666401.db2.gz IYFLGOCLNBYDDN-QYZOEREBSA-N 1 0 324.424 2.152 50 0 DEAARO CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)N(C(=O)C(C)C)C2)CC1 ZINC000257191718 402702061 /nfs/dbraw/zinc/70/20/61/402702061.db2.gz RCOBIIDTXCKGGJ-CQSZACIVSA-N 1 0 320.437 2.410 50 0 DEAARO CO[C@H](C[NH3+])CC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000262750665 402729825 /nfs/dbraw/zinc/72/98/25/402729825.db2.gz BWFDOAMSDDXDQQ-NOLJZWGESA-N 1 0 308.447 2.055 50 0 DEAARO Nc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000280636419 403021988 /nfs/dbraw/zinc/02/19/88/403021988.db2.gz ZDKLMUBCNMIUPH-HDICACEKSA-N 1 0 308.429 2.228 50 0 DEAARO CCOc1cccc2[nH]cc(CC(=O)NC[C@H](C)C[NH+](C)C)c21 ZINC000292252920 403334978 /nfs/dbraw/zinc/33/49/78/403334978.db2.gz DVGVUFHNSGOSSI-ZDUSSCGKSA-N 1 0 317.433 2.423 50 0 DEAARO Cc1c[nH]c([C@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)n1 ZINC000299756833 403566570 /nfs/dbraw/zinc/56/65/70/403566570.db2.gz HOFSORPQPWEPIS-ZDUSSCGKSA-N 1 0 316.405 2.245 50 0 DEAARO Cc1cc(C)n(CC[NH+]2CCC(Cn3ccnc3C)CC2)n1 ZINC000299767150 403569649 /nfs/dbraw/zinc/56/96/49/403569649.db2.gz GAKHBRYXHVFQDI-UHFFFAOYSA-N 1 0 301.438 2.417 50 0 DEAARO Cc1cc(=O)c(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cn1C ZINC000299774530 403572020 /nfs/dbraw/zinc/57/20/20/403572020.db2.gz DSTANNSPGNLUOI-UHFFFAOYSA-N 1 0 319.449 2.075 50 0 DEAARO CC1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)COC1 ZINC000299782270 403573054 /nfs/dbraw/zinc/57/30/54/403573054.db2.gz VNWOWIVFTHQVBP-BBWFWOEESA-N 1 0 314.429 2.365 50 0 DEAARO CC(C)CC[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299801764 403579409 /nfs/dbraw/zinc/57/94/09/403579409.db2.gz XNSVNSPZKHCBOG-UHFFFAOYSA-N 1 0 300.410 2.147 50 0 DEAARO Cc1sc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc1-c1ccc(C)cc1 ZINC000362750583 403984461 /nfs/dbraw/zinc/98/44/61/403984461.db2.gz UEZQNDVALSUQNH-STQMWFEESA-N 1 0 317.414 2.088 50 0 DEAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCCC[NH+](C)C ZINC000426389549 405356929 /nfs/dbraw/zinc/35/69/29/405356929.db2.gz ZRSBHSNUTZZACX-UHFFFAOYSA-N 1 0 306.385 2.400 50 0 DEAARO CNC(=O)Cn1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cn1 ZINC000426402126 405357696 /nfs/dbraw/zinc/35/76/96/405357696.db2.gz WYYQOOGUKFZMCF-CQSZACIVSA-N 1 0 312.417 2.453 50 0 DEAARO CO[C@]12CC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000426380414 405355825 /nfs/dbraw/zinc/35/58/25/405355825.db2.gz MSLRNVJIZXLBCR-JLJPHGGASA-N 1 0 307.438 2.212 50 0 DEAARO COc1ccc2c(c1)nc(C)cc2C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000426489705 405363683 /nfs/dbraw/zinc/36/36/83/405363683.db2.gz UNZNDJCBWSAHDB-CYBMUJFWSA-N 1 0 313.401 2.424 50 0 DEAARO CCCN(Cc1nccn1C)C(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426544988 405368142 /nfs/dbraw/zinc/36/81/42/405368142.db2.gz IYVCEKSSNIMKDC-OAHLLOKOSA-N 1 0 306.454 2.423 50 0 DEAARO C[NH2+]Cc1nnc(SCc2ccccc2OC(F)F)n1C ZINC000426615543 405371361 /nfs/dbraw/zinc/37/13/61/405371361.db2.gz OPQFYRYRNPCGKL-UHFFFAOYSA-N 1 0 314.361 2.428 50 0 DEAARO CCc1nc(N2CCCO[C@H](C[NH+]3CCCC3)C2)ncc1C ZINC000426662101 405373090 /nfs/dbraw/zinc/37/30/90/405373090.db2.gz LGDYMNQTVQGUQQ-OAHLLOKOSA-N 1 0 304.438 2.039 50 0 DEAARO C[NH2+]Cc1nnc(SCc2ccc(-n3cccn3)cc2)n1C ZINC000426667680 405373847 /nfs/dbraw/zinc/37/38/47/405373847.db2.gz WOCYEDRLZYTWOU-UHFFFAOYSA-N 1 0 314.418 2.013 50 0 DEAARO Cc1cnc(-c2ccncc2)n1CCNC(=O)c1cccn1C ZINC000575555068 406812623 /nfs/dbraw/zinc/81/26/23/406812623.db2.gz KOSHBAFLWLIQRP-UHFFFAOYSA-N 1 0 309.373 2.022 50 0 DEAARO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H](C)n1cccn1 ZINC000069372297 287041971 /nfs/dbraw/zinc/04/19/71/287041971.db2.gz IWNZZCCFMRGWJO-KGLIPLIRSA-N 1 0 300.410 2.013 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000132252852 196239265 /nfs/dbraw/zinc/23/92/65/196239265.db2.gz JPACYDICILFCNC-WCQGTBRESA-N 1 0 314.307 2.248 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000132626869 196272021 /nfs/dbraw/zinc/27/20/21/196272021.db2.gz LDFSBBFAZXAFCC-LBPRGKRZSA-N 1 0 305.765 2.097 50 0 DEAARO O=C(NCCC1CC[NH+](C2CCCC2)CC1)c1cncnc1 ZINC000299777974 229431375 /nfs/dbraw/zinc/43/13/75/229431375.db2.gz OWIOHAXSXUXFAM-UHFFFAOYSA-N 1 0 302.422 2.251 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000046341931 424820151 /nfs/dbraw/zinc/82/01/51/424820151.db2.gz MTPKEAIBUIARRM-ZFWWWQNUSA-N 1 0 307.390 2.167 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cn1)n1cccn1 ZINC000069902006 274543139 /nfs/dbraw/zinc/54/31/39/274543139.db2.gz RBYCBBYTTIUKKL-WDEREUQCSA-N 1 0 307.785 2.109 50 0 DEAARO O=C1Nc2ccccc2NC12CC[NH+]([C@H]1CCSC1)CC2 ZINC000082099874 275026221 /nfs/dbraw/zinc/02/62/21/275026221.db2.gz VTUIIKAEMPKTDC-LBPRGKRZSA-N 1 0 303.431 2.391 50 0 DEAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000095420777 275059295 /nfs/dbraw/zinc/05/92/95/275059295.db2.gz RWWUYIWKCJLPKK-PIBLMLOJSA-N 1 0 315.335 2.470 50 0 DEAARO CCO[C@H](C)c1nc(CSc2nc(N)cc(N)[nH+]2)cs1 ZINC000078829611 276357702 /nfs/dbraw/zinc/35/77/02/276357702.db2.gz UGSQAAWRXIKLHW-SSDOTTSWSA-N 1 0 311.436 2.487 50 0 DEAARO CCc1c(C)nc(C)nc1N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000077390983 276657352 /nfs/dbraw/zinc/65/73/52/276657352.db2.gz CJPUNKJXBQLBDB-UHFFFAOYSA-N 1 0 318.465 2.081 50 0 DEAARO COC(=O)c1cc2n(n1)CCC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000067542176 277153467 /nfs/dbraw/zinc/15/34/67/277153467.db2.gz QWTVWZIGUBCLHK-UHFFFAOYSA-N 1 0 311.385 2.043 50 0 DEAARO CN1c2ccccc2C2(CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000072162020 277217508 /nfs/dbraw/zinc/21/75/08/277217508.db2.gz OOPPXSFLXWOISH-CQSZACIVSA-N 1 0 300.402 2.176 50 0 DEAARO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000096440598 277607951 /nfs/dbraw/zinc/60/79/51/277607951.db2.gz UBTJSEDUDKBIFP-CQSZACIVSA-N 1 0 311.470 2.365 50 0 DEAARO C[C@@](O)(C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1)C(F)(F)F ZINC000328597812 279149866 /nfs/dbraw/zinc/14/98/66/279149866.db2.gz IVSSNGWCGJYRRY-ZWNOBZJWSA-N 1 0 308.344 2.377 50 0 DEAARO Fc1cc2[nH]c(-c3cn(C4CC[NH2+]CC4)nn3)nc2c(F)c1 ZINC000091657026 279459414 /nfs/dbraw/zinc/45/94/14/279459414.db2.gz JPWWEBJPJMQQDU-UHFFFAOYSA-N 1 0 304.304 2.024 50 0 DEAARO C[C@H]([C@H](C)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)n1cccn1 ZINC000069597374 279592984 /nfs/dbraw/zinc/59/29/84/279592984.db2.gz JUZUYYQREVQERG-RWMBFGLXSA-N 1 0 311.389 2.420 50 0 DEAARO Cc1ccccc1[C@@]1(O)CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000091782173 281378553 /nfs/dbraw/zinc/37/85/53/281378553.db2.gz JMLJJZIKBNNSFK-LJQANCHMSA-N 1 0 324.428 2.344 50 0 DEAARO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000069512224 281391859 /nfs/dbraw/zinc/39/18/59/281391859.db2.gz FOFVXRDXXYNLNE-INIZCTEOSA-N 1 0 302.418 2.033 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000262640021 288395491 /nfs/dbraw/zinc/39/54/91/288395491.db2.gz OKSYZMHGHHZVNG-XUJVJEKNSA-N 1 0 308.809 2.238 50 0 DEAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000095420237 295210468 /nfs/dbraw/zinc/21/04/68/295210468.db2.gz YBHHQYDNVRTGEF-KBPBESRZSA-N 1 0 320.433 2.059 50 0 DEAARO COc1ccc([C@H]2CCCCC[N@@H+]2CCC(=O)NC(N)=O)cc1 ZINC000022065088 295247764 /nfs/dbraw/zinc/24/77/64/295247764.db2.gz GEZDEWUSJXHROC-OAHLLOKOSA-N 1 0 319.405 2.197 50 0 DEAARO c1cncc(CN2CCC[C@@H]([NH2+]C3CSCCSC3)C2)c1 ZINC000534575283 334287542 /nfs/dbraw/zinc/28/75/42/334287542.db2.gz CGPULQDVDNIUOZ-OAHLLOKOSA-N 1 0 323.531 2.484 50 0 DEAARO CC(C)[C@@H](CNC(=O)N1CC(Oc2ccccc2F)C1)[NH+](C)C ZINC000534578180 334288285 /nfs/dbraw/zinc/28/82/85/334288285.db2.gz DCQHPYCMIQKJSL-OAHLLOKOSA-N 1 0 323.412 2.185 50 0 DEAARO COc1ccc2c(c1)nc(C)cc2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000534586786 334292406 /nfs/dbraw/zinc/29/24/06/334292406.db2.gz NQDLFRWGRKFLHD-ZDUSSCGKSA-N 1 0 313.401 2.363 50 0 DEAARO O=C1C[C@H]([NH2+]C2CSCCSC2)CN1Cc1ccccc1 ZINC000534589545 334293851 /nfs/dbraw/zinc/29/38/51/334293851.db2.gz JQMOVTMNWUKIKY-AWEZNQCLSA-N 1 0 322.499 2.226 50 0 DEAARO Cc1ncn(C)c1C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000534656736 334314163 /nfs/dbraw/zinc/31/41/63/334314163.db2.gz JENQAUJGCOSYKW-OAHLLOKOSA-N 1 0 300.406 2.151 50 0 DEAARO C[NH+]1CCC(OCCCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000534671603 334320721 /nfs/dbraw/zinc/32/07/21/334320721.db2.gz QQPJNOIGBFPVQO-PMPSAXMXSA-N 1 0 306.450 2.206 50 0 DEAARO CC[NH+](CC)CCSCC(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000584556978 337360929 /nfs/dbraw/zinc/36/09/29/337360929.db2.gz FHGWYHJREUWJRQ-UHFFFAOYSA-N 1 0 322.434 2.282 50 0 DEAARO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CCCO1 ZINC000090857551 337380584 /nfs/dbraw/zinc/38/05/84/337380584.db2.gz MSSCMYBIZDMZRI-VBNZEHGJSA-N 1 0 301.394 2.271 50 0 DEAARO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)nn1C ZINC000097103631 337382346 /nfs/dbraw/zinc/38/23/46/337382346.db2.gz ACQSKYRVKGENEV-AWEZNQCLSA-N 1 0 305.426 2.068 50 0 DEAARO Cc1cnn(C[C@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)c1 ZINC000199513374 526264668 /nfs/dbraw/zinc/26/46/68/526264668.db2.gz MYSXUYSOOXTAIO-OPAMFIHVSA-N 1 0 317.458 2.464 50 0 DEAARO CCN(CC[NH+](CC)CC)C(=O)c1cn2cc(Cl)cnc2n1 ZINC000426409115 528121283 /nfs/dbraw/zinc/12/12/83/528121283.db2.gz AAJXCNTVNLLANH-UHFFFAOYSA-N 1 0 323.828 2.187 50 0 DEAARO CCOCCN1CC[N@H+](CCc2ccc(OC)cc2)C[C@H]1C ZINC000241644393 528750961 /nfs/dbraw/zinc/75/09/61/528750961.db2.gz PQJSHJXQORIPEY-MRXNPFEDSA-N 1 0 306.450 2.280 50 0 DEAARO CCOC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000408518090 529028485 /nfs/dbraw/zinc/02/84/85/529028485.db2.gz TUXDBQVZPFZECF-ZWKOTPCHSA-N 1 0 316.445 2.394 50 0 DEAARO COCCC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011842107 635816116 /nfs/dbraw/zinc/81/61/16/635816116.db2.gz UJCVWMZMZXYXMK-KRWDZBQOSA-N 1 0 304.434 2.236 50 0 DEAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000012301944 636134296 /nfs/dbraw/zinc/13/42/96/636134296.db2.gz XSKJGQWSGOXTQW-MRXNPFEDSA-N 1 0 312.417 2.155 50 0 DEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)OCC(F)(F)F ZINC000056327770 646484089 /nfs/dbraw/zinc/48/40/89/646484089.db2.gz UZOOICZDTUHXHM-UHFFFAOYSA-N 1 0 317.311 2.335 50 0 DEAARO COC(=O)CC[C@H](C)[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000012706980 683843811 /nfs/dbraw/zinc/84/38/11/683843811.db2.gz VWXJGLPBOIVGLR-HNNXBMFYSA-N 1 0 324.465 2.443 50 0 DEAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000067650763 683924778 /nfs/dbraw/zinc/92/47/78/683924778.db2.gz AFSLTRSGUALYSW-QGZVFWFLSA-N 1 0 324.428 2.086 50 0 DEAARO CCc1nc(CN2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)cs1 ZINC000072161831 683927090 /nfs/dbraw/zinc/92/70/90/683927090.db2.gz XCFCYJJIBFGJPD-CYBMUJFWSA-N 1 0 323.462 2.076 50 0 DEAARO O=C(Cc1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581787918 777821768 /nfs/dbraw/zinc/82/17/68/777821768.db2.gz JRRHSYLKOIAJPW-SFHVURJKSA-N 1 0 316.445 2.190 50 0 DEAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCCNc1cc[nH+]cc1C ZINC000827688895 783682777 /nfs/dbraw/zinc/68/27/77/783682777.db2.gz JCABLVRXXLEBBX-SFHVURJKSA-N 1 0 307.397 2.444 50 0 DEAARO CC[N@H+](C1CN(C(=O)NC2CCCCC2)C1)C1CCOCC1 ZINC000581794859 784783038 /nfs/dbraw/zinc/78/30/38/784783038.db2.gz VTHLTQFNIGKWOE-UHFFFAOYSA-N 1 0 309.454 2.214 50 0 DEAARO O=C(NCC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccsc1 ZINC000952977634 792841957 /nfs/dbraw/zinc/84/19/57/792841957.db2.gz KODWPKSHNDEOAQ-CQSZACIVSA-N 1 0 308.447 2.226 50 0 DEAARO O[C@@H]1CN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1F ZINC000952979716 792845211 /nfs/dbraw/zinc/84/52/11/792845211.db2.gz OJLPRSHZAQWUGR-QZTJIDSGSA-N 1 0 322.424 2.066 50 0 DEAARO c1ccc(C[C@H]2CN(c3ccc4nccnc4n3)CC[NH2+]2)cc1 ZINC000952993084 792855552 /nfs/dbraw/zinc/85/55/52/792855552.db2.gz BMNDTXZBSKSJSS-HNNXBMFYSA-N 1 0 305.385 2.046 50 0 DEAARO C[C@H](C(=O)Nc1nnc(CC[NH+](C)C)s1)c1ccccc1 ZINC001529120655 1070866954 /nfs/dbraw/zinc/86/69/54/1070866954.db2.gz HKMCDOZCEOICGJ-NSHDSACASA-N 1 0 304.419 2.384 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2O)[nH]n1 ZINC001529152377 1070884145 /nfs/dbraw/zinc/88/41/45/1070884145.db2.gz KUISALLRIDDBBM-CZUORRHYSA-N 1 0 305.809 2.407 50 0 DEAARO CCCn1nc(C)cc1NC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC001529159880 1070892171 /nfs/dbraw/zinc/89/21/71/1070892171.db2.gz UATYOCSUSITFEO-CQSZACIVSA-N 1 0 308.426 2.041 50 0 DEAARO CCNC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001529178197 1070902197 /nfs/dbraw/zinc/90/21/97/1070902197.db2.gz KJTGNSYQRKQCDD-ZDUSSCGKSA-N 1 0 302.378 2.139 50 0 DEAARO Cc1nncn1CC[N@H+]1CCC[C@@H](c2nc(CC(C)C)no2)C1 ZINC001529185921 1070908118 /nfs/dbraw/zinc/90/81/18/1070908118.db2.gz SSDFFBWEWSTFFD-CQSZACIVSA-N 1 0 318.425 2.048 50 0 DEAARO Cc1cc(C[C@@H]2CN(CC(C)(C)[NH+]3CCCCC3)C[C@@H]2O)on1 ZINC001529186919 1070908786 /nfs/dbraw/zinc/90/87/86/1070908786.db2.gz MMNKBSJRRHVRDJ-WBVHZDCISA-N 1 0 321.465 2.083 50 0 DEAARO CC(C)c1noc(C2CC[NH+](CCc3nccn3C)CC2)n1 ZINC001506396426 1061934120 /nfs/dbraw/zinc/93/41/20/1061934120.db2.gz GITYKZLJTSJRLR-UHFFFAOYSA-N 1 0 303.410 2.349 50 0 DEAARO Cc1n[nH]cc1CN(C)c1cc(C)[nH+]c(N2CCCCC2)n1 ZINC001506396745 1061936652 /nfs/dbraw/zinc/93/66/52/1061936652.db2.gz ISSCPEBBBAOUJZ-UHFFFAOYSA-N 1 0 300.410 2.443 50 0 DEAARO CC(C)[C@H](CNC(=O)/C=C/c1cc(CO)cs1)[NH+]1CCCC1 ZINC001506414112 1061956644 /nfs/dbraw/zinc/95/66/44/1061956644.db2.gz CJUPGPZPRZRWBT-JFDDCEBESA-N 1 0 322.474 2.490 50 0 DEAARO CCn1ncnc1[C@@H](C)NC1CC[NH+](Cc2ccco2)CC1 ZINC001506418915 1061965120 /nfs/dbraw/zinc/96/51/20/1061965120.db2.gz UYCZSEAVNYPDGV-CYBMUJFWSA-N 1 0 303.410 2.206 50 0 DEAARO Cc1cccc(NC(=O)CC(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)c1 ZINC001506424916 1061970518 /nfs/dbraw/zinc/97/05/18/1061970518.db2.gz DFFCOKRDZGUXJW-INIZCTEOSA-N 1 0 317.433 2.266 50 0 DEAARO CC(C)(C)OC(=O)N1CCC(O)([C@H]([NH3+])c2ccccc2)CC1 ZINC000958528868 1089047274 /nfs/dbraw/zinc/04/72/74/1089047274.db2.gz XFMATFMKAAPDNL-CQSZACIVSA-N 1 0 306.406 2.448 50 0 DEAARO Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)c3cccs3)CC2)[nH]1 ZINC000822275537 1090628058 /nfs/dbraw/zinc/62/80/58/1090628058.db2.gz DUOOTPAYGZIHIG-SNVBAGLBSA-N 1 0 319.434 2.130 50 0 DEAARO CCCn1nc(CC(N)=O)nc1[C@H](C)[N@H+](C)C1CCCCC1 ZINC000823033173 1090659967 /nfs/dbraw/zinc/65/99/67/1090659967.db2.gz YNZSTCZCGUHSCH-LBPRGKRZSA-N 1 0 307.442 2.041 50 0 DEAARO CC(C)c1nc([C@@H]2CC(=O)N(CC[NH+](C)C)C2)n(C(C)(C)C)n1 ZINC000823698178 1090695537 /nfs/dbraw/zinc/69/55/37/1090695537.db2.gz UMUUGTMGXKWFRG-CYBMUJFWSA-N 1 0 321.469 2.034 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccs2)nn1C ZINC000095472239 185372749 /nfs/dbraw/zinc/37/27/49/185372749.db2.gz YUTQHAKZUIMTCT-LBPRGKRZSA-N 1 0 318.446 2.363 50 0 DEAARO Cc1ccc2oc(N3CCC(N[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000095507496 185375400 /nfs/dbraw/zinc/37/54/00/185375400.db2.gz KZDAMMNTUZNZRX-CQSZACIVSA-N 1 0 300.406 2.057 50 0 DEAARO c1ccc(SCC[NH2+]C2CCN(c3ncccn3)CC2)nc1 ZINC000095506743 185375633 /nfs/dbraw/zinc/37/56/33/185375633.db2.gz WMFGWLBZBQWSQT-UHFFFAOYSA-N 1 0 315.446 2.222 50 0 DEAARO CCN(CCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076981133 185063146 /nfs/dbraw/zinc/06/31/46/185063146.db2.gz HCTPEBOMBZEEEA-GFCCVEGCSA-N 1 0 307.360 2.455 50 0 DEAARO C[N@H+](Cc1ccc2nonc2c1)C1CCN(c2ncccn2)CC1 ZINC000095520983 185377575 /nfs/dbraw/zinc/37/75/75/185377575.db2.gz VLBRTGRRVWALAA-UHFFFAOYSA-N 1 0 324.388 2.114 50 0 DEAARO C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000078896629 185124645 /nfs/dbraw/zinc/12/46/45/185124645.db2.gz LYVQQNOZMLTGGT-WBVHZDCISA-N 1 0 316.445 2.143 50 0 DEAARO C[NH+](C)C[C@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000085469889 282141584 /nfs/dbraw/zinc/14/15/84/282141584.db2.gz OMHDYJFVOIZSMY-NSHDSACASA-N 1 0 317.216 2.396 50 0 DEAARO C[NH+](C)C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC000079361812 185167176 /nfs/dbraw/zinc/16/71/76/185167176.db2.gz AAOFGOBNVCKFES-QGZVFWFLSA-N 1 0 302.418 2.243 50 0 DEAARO COc1c(NC(=O)Nc2cccc(C[NH+](C)C)c2)c(C)nn1C ZINC000088353092 185246607 /nfs/dbraw/zinc/24/66/07/185246607.db2.gz XJPFVQCPGMKBCE-UHFFFAOYSA-N 1 0 317.393 2.443 50 0 DEAARO Cc1c(Br)cccc1C(=O)NCC1CC[NH2+]CC1 ZINC000088441952 185250865 /nfs/dbraw/zinc/25/08/65/185250865.db2.gz NXMFAXDJPGHDAV-UHFFFAOYSA-N 1 0 311.223 2.487 50 0 DEAARO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000089963410 185272433 /nfs/dbraw/zinc/27/24/33/185272433.db2.gz RPRPBFOMTATLBP-HZPDHXFCSA-N 1 0 316.426 2.113 50 0 DEAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000082121573 192359574 /nfs/dbraw/zinc/35/95/74/192359574.db2.gz JKRHBCVGSRCTGB-HNNXBMFYSA-N 1 0 313.405 2.028 50 0 DEAARO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000095402652 185354964 /nfs/dbraw/zinc/35/49/64/185354964.db2.gz GOMKGNCRBBUDAV-HNNXBMFYSA-N 1 0 313.405 2.048 50 0 DEAARO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000095405132 185355783 /nfs/dbraw/zinc/35/57/83/185355783.db2.gz QCZMWLYVFZPASW-IBGZPJMESA-N 1 0 322.408 2.249 50 0 DEAARO CC(C)N(C)C(=O)NCc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000095409937 185357089 /nfs/dbraw/zinc/35/70/89/185357089.db2.gz QQIQYTLHJIKPFI-UHFFFAOYSA-N 1 0 322.428 2.127 50 0 DEAARO CC(C)(CO)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000097086545 185408183 /nfs/dbraw/zinc/40/81/83/185408183.db2.gz FDPXLPOSLDNNTG-UHFFFAOYSA-N 1 0 315.204 2.435 50 0 DEAARO C[NH2+]C[C@H](C)CNC(=O)Cc1ccc(F)c(Br)c1 ZINC000170048328 197766111 /nfs/dbraw/zinc/76/61/11/197766111.db2.gz IYFVUTQBORVBEO-VIFPVBQESA-N 1 0 317.202 2.102 50 0 DEAARO Cc1nc(C)c(C[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)s1 ZINC000084062495 539392451 /nfs/dbraw/zinc/39/24/51/539392451.db2.gz YANQFUQRWPRJHI-IUODEOHRSA-N 1 0 306.435 2.361 50 0 DEAARO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104026040 539437551 /nfs/dbraw/zinc/43/75/51/539437551.db2.gz LPKRZLVDIHWHMX-GMTAPVOTSA-N 1 0 309.435 2.152 50 0 DEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000169751653 539613309 /nfs/dbraw/zinc/61/33/09/539613309.db2.gz QZWRQDCFBVPIPJ-UHFFFAOYSA-N 1 0 302.378 2.014 50 0 DEAARO CC(C)(C(=O)NC[C@H](O)c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000170059810 539614037 /nfs/dbraw/zinc/61/40/37/539614037.db2.gz UTBZXVTUGZMIDO-DOMZBBRYSA-N 1 0 308.397 2.001 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2ccnn2C)CCC[N@@H+]1CC1CC1 ZINC000071747484 191020825 /nfs/dbraw/zinc/02/08/25/191020825.db2.gz UQSGSYFCYFFAIV-INIZCTEOSA-N 1 0 304.438 2.003 50 0 DEAARO Cc1cc(C2CCC2)nc(NCC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000071751149 191021881 /nfs/dbraw/zinc/02/18/81/191021881.db2.gz KFCNMYPERLRFNW-AWEZNQCLSA-N 1 0 304.438 2.169 50 0 DEAARO Nc1nccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072144391 191051874 /nfs/dbraw/zinc/05/18/74/191051874.db2.gz NOPZKMAIAWDACS-KBAYOESNSA-N 1 0 321.428 2.125 50 0 DEAARO OC[C@]12CCC[NH2+][C@@H]1CCN(c1ccc(-c3ccccc3)nn1)C2 ZINC000072146601 191052670 /nfs/dbraw/zinc/05/26/70/191052670.db2.gz BZQCFCICFZGWSR-IEBWSBKVSA-N 1 0 324.428 2.084 50 0 DEAARO Cc1nc2ccccn2c1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072153176 191058021 /nfs/dbraw/zinc/05/80/21/191058021.db2.gz QLPHFSMVLHRSBC-HNNXBMFYSA-N 1 0 314.433 2.128 50 0 DEAARO CSc1ccc2c(c1)CCN(Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072152361 191058118 /nfs/dbraw/zinc/05/81/18/191058118.db2.gz PNPDMQRQBYLXTF-UHFFFAOYSA-N 1 0 314.458 2.267 50 0 DEAARO O=C([C@H](F)c1ccccc1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072162265 191064248 /nfs/dbraw/zinc/06/42/48/191064248.db2.gz HYFKBDUQJANZLO-QGZVFWFLSA-N 1 0 320.408 2.145 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000072166310 191064835 /nfs/dbraw/zinc/06/48/35/191064835.db2.gz ZVSHDHLDAFIZOU-QGZVFWFLSA-N 1 0 306.381 2.325 50 0 DEAARO CC[C@H]1CN(CCOc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000072279688 191100034 /nfs/dbraw/zinc/10/00/34/191100034.db2.gz SAMFDMCCOVCRPX-SJORKVTESA-N 1 0 306.450 2.151 50 0 DEAARO CCOC(=O)N1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000253393967 186304233 /nfs/dbraw/zinc/30/42/33/186304233.db2.gz QXFQRUGLYAAXEM-UHFFFAOYSA-N 1 0 320.437 2.485 50 0 DEAARO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000072309876 191118994 /nfs/dbraw/zinc/11/89/94/191118994.db2.gz NFQXKYHIFIZKEA-ZDUSSCGKSA-N 1 0 320.437 2.240 50 0 DEAARO c1cn(-c2ccc3c[nH]nc3c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072409269 191153411 /nfs/dbraw/zinc/15/34/11/191153411.db2.gz GMMXDSUVMLQNPO-UHFFFAOYSA-N 1 0 319.372 2.105 50 0 DEAARO CCC/C=C/C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 ZINC000072433157 191164689 /nfs/dbraw/zinc/16/46/89/191164689.db2.gz KUNIZGCACZOKMZ-XPQDNOAISA-N 1 0 308.466 2.428 50 0 DEAARO Cc1nc2c(c(NCc3ccc4c(c3)C[C@H](C)O4)n1)CC[NH2+]CC2 ZINC000072439265 191168059 /nfs/dbraw/zinc/16/80/59/191168059.db2.gz PQDRHGSDXIWJHQ-LBPRGKRZSA-N 1 0 324.428 2.409 50 0 DEAARO Cc1cccc(-c2nc(CNC[C@]3(O)CCC[NH2+]C3)cs2)c1 ZINC000072448239 191170306 /nfs/dbraw/zinc/17/03/06/191170306.db2.gz FSTHOVLLSGCFFU-KRWDZBQOSA-N 1 0 317.458 2.323 50 0 DEAARO Cc1nn(C)c2ncnc(N(C)C[C@H]3CC[N@@H+](CC(C)C)C3)c12 ZINC000072458419 191172167 /nfs/dbraw/zinc/17/21/67/191172167.db2.gz QGDXBVVRBSJFMO-CQSZACIVSA-N 1 0 316.453 2.086 50 0 DEAARO CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236782531 202006674 /nfs/dbraw/zinc/00/66/74/202006674.db2.gz OXGTVPLFQSAPEC-UMVBOHGHSA-N 1 0 306.406 2.026 50 0 DEAARO c1coc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1 ZINC000004488587 181114563 /nfs/dbraw/zinc/11/45/63/181114563.db2.gz LHSLAYQPXFBHRZ-UHFFFAOYSA-N 1 0 301.375 2.137 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000004744413 181146016 /nfs/dbraw/zinc/14/60/16/181146016.db2.gz LKNBEFSSOQWDDF-UHFFFAOYSA-N 1 0 318.417 2.404 50 0 DEAARO CC[NH+]1CCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1 ZINC000065170774 354679929 /nfs/dbraw/zinc/67/99/29/354679929.db2.gz OPEHRRSLTFHWTE-UHFFFAOYSA-N 1 0 315.392 2.323 50 0 DEAARO O=C(NC1CC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255778 354680979 /nfs/dbraw/zinc/68/09/79/354680979.db2.gz XMHNVSZXSIBELW-KRWDZBQOSA-N 1 0 322.412 2.125 50 0 DEAARO CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000073716747 354977461 /nfs/dbraw/zinc/97/74/61/354977461.db2.gz KFJCWWNNLHEYQS-NUEKZKHPSA-N 1 0 321.465 2.118 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 ZINC000074709573 355044333 /nfs/dbraw/zinc/04/43/33/355044333.db2.gz WKRYOTDYUZXRSC-STQMWFEESA-N 1 0 308.451 2.330 50 0 DEAARO CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000074350630 355024313 /nfs/dbraw/zinc/02/43/13/355024313.db2.gz OKUIXNRNXYQTIE-RVKKMQEKSA-N 1 0 323.481 2.316 50 0 DEAARO C[C@H](NC(=O)Nc1ccncc1)C1([NH+]2CCOCC2)CCCC1 ZINC000075110104 355068970 /nfs/dbraw/zinc/06/89/70/355068970.db2.gz JNDCSBSBTNGXRY-AWEZNQCLSA-N 1 0 318.421 2.237 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)NC1CCC2(CC1)OCCO2 ZINC000075769156 355106052 /nfs/dbraw/zinc/10/60/52/355106052.db2.gz WECKBWAJOZSVHN-GOEBONIOSA-N 1 0 322.449 2.053 50 0 DEAARO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076709443 355164489 /nfs/dbraw/zinc/16/44/89/355164489.db2.gz BUCLJZLZFVTLNG-HNNXBMFYSA-N 1 0 323.824 2.269 50 0 DEAARO C[NH+](C)Cc1cc(CNC(=O)[C@H](O)c2ccccc2)ccc1F ZINC000073728330 191348838 /nfs/dbraw/zinc/34/88/38/191348838.db2.gz ZOKPUQHAIGFIGE-QGZVFWFLSA-N 1 0 316.376 2.237 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000079073409 355294840 /nfs/dbraw/zinc/29/48/40/355294840.db2.gz AHRDAUQYBOKLLA-APBUJDDRSA-N 1 0 305.875 2.444 50 0 DEAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000084714508 355485359 /nfs/dbraw/zinc/48/53/59/355485359.db2.gz AFSPOYJAGZQRRW-QAPCUYQASA-N 1 0 307.482 2.051 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc(C)nn1-c1ccccc1 ZINC000005058659 181198759 /nfs/dbraw/zinc/19/87/59/181198759.db2.gz YXFVFYKYSMUJNC-UHFFFAOYSA-N 1 0 300.406 2.252 50 0 DEAARO CC[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1[NH+](C)C ZINC000089948532 355549402 /nfs/dbraw/zinc/54/94/02/355549402.db2.gz AOFPRFQNBWSXQY-GOEBONIOSA-N 1 0 317.433 2.283 50 0 DEAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cccc(F)c2F)C1 ZINC000077356769 191699779 /nfs/dbraw/zinc/69/97/79/191699779.db2.gz WESLYWJCWAGNPO-KRWDZBQOSA-N 1 0 310.388 2.388 50 0 DEAARO COc1ccccc1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000106661371 355724342 /nfs/dbraw/zinc/72/43/42/355724342.db2.gz FMQBPUALWPDSQX-JKSUJKDBSA-N 1 0 302.418 2.323 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000130250509 355840234 /nfs/dbraw/zinc/84/02/34/355840234.db2.gz YLOBIKUHNXKPIA-CQSZACIVSA-N 1 0 312.417 2.328 50 0 DEAARO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128751579 355829860 /nfs/dbraw/zinc/82/98/60/355829860.db2.gz NBTDJBINRWDKPA-LSDHHAIUSA-N 1 0 302.426 2.404 50 0 DEAARO CCn1c2ccc(C)cc2nc1NC(=O)[C@@H]1CN(CC)CCO1 ZINC000182476575 356127969 /nfs/dbraw/zinc/12/79/69/356127969.db2.gz CGUFBSUGHZNJRL-HNNXBMFYSA-N 1 0 316.405 2.024 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1O ZINC000193547649 356227113 /nfs/dbraw/zinc/22/71/13/356227113.db2.gz CWGSBXIAFNNPAU-HNNXBMFYSA-N 1 0 304.390 2.283 50 0 DEAARO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2C)c1 ZINC000195552838 356256300 /nfs/dbraw/zinc/25/63/00/356256300.db2.gz UTVGCNNFBPRGKI-UHFFFAOYSA-N 1 0 322.405 2.332 50 0 DEAARO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000195544094 356256418 /nfs/dbraw/zinc/25/64/18/356256418.db2.gz JFCOJCSXSHGLLZ-FVQBIDKESA-N 1 0 320.458 2.070 50 0 DEAARO Cc1cc(C)n(CC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000195560502 356257168 /nfs/dbraw/zinc/25/71/68/356257168.db2.gz IVJXFXAKSABSMJ-SJORKVTESA-N 1 0 318.465 2.256 50 0 DEAARO Clc1ccc(N2CCC([NH2+]CCN3CCOCC3)CC2)cc1 ZINC000195577902 356259019 /nfs/dbraw/zinc/25/90/19/356259019.db2.gz WOYRROOEBAILLZ-UHFFFAOYSA-N 1 0 323.868 2.231 50 0 DEAARO COCCC[N@@H+]1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000081086370 192225030 /nfs/dbraw/zinc/22/50/30/192225030.db2.gz WVTQERJSAKYFCZ-ZDUSSCGKSA-N 1 0 308.426 2.052 50 0 DEAARO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000285069066 356370320 /nfs/dbraw/zinc/37/03/20/356370320.db2.gz PAANBGQHRIUXLJ-MNOVXSKESA-N 1 0 319.327 2.348 50 0 DEAARO c1ccc2c(c1)CC(C[NH2+]Cc1cccc(N3CCOCC3)n1)C2 ZINC000585084983 540256126 /nfs/dbraw/zinc/25/61/26/540256126.db2.gz DNGPEUSJNCWXIK-UHFFFAOYSA-N 1 0 323.440 2.423 50 0 DEAARO CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)ONC(=O)OC(C)(C)C ZINC000398695735 356720832 /nfs/dbraw/zinc/72/08/32/356720832.db2.gz DOISBRIUEYEGJC-IHRRRGAJSA-N 1 0 316.442 2.482 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000237174624 202176443 /nfs/dbraw/zinc/17/64/43/202176443.db2.gz XCEGTTWPUHVIQC-WCQYABFASA-N 1 0 310.825 2.477 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]CCCn2nc(C)c(C)c2C)C1 ZINC000584893558 357327615 /nfs/dbraw/zinc/32/76/15/357327615.db2.gz CUHUYZCABKWLEK-OAHLLOKOSA-N 1 0 308.426 2.019 50 0 DEAARO C[N@@H+]1CC[C@H](n2cnc3ccc(OC(F)(F)F)cc3c2=O)C1 ZINC000584900546 357330358 /nfs/dbraw/zinc/33/03/58/357330358.db2.gz XQKYIYRKHUCBDI-VIFPVBQESA-N 1 0 313.279 2.172 50 0 DEAARO O=C(c1ccccc1F)N1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000180003527 199105808 /nfs/dbraw/zinc/10/58/08/199105808.db2.gz CIYBBCNBUYVLCI-UHFFFAOYSA-N 1 0 318.392 2.320 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)COc2cccc(Cl)c2C)C1 ZINC000237293470 202220330 /nfs/dbraw/zinc/22/03/30/202220330.db2.gz MLLUQINMXBDUOW-CYBMUJFWSA-N 1 0 310.825 2.485 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000237296275 202221887 /nfs/dbraw/zinc/22/18/87/202221887.db2.gz WJAACCVANRIHTM-MRXNPFEDSA-N 1 0 320.481 2.156 50 0 DEAARO Cc1nc(C)c([C@@H](C)N(C)C(=O)C[NH2+]C[C@H]2CCCO2)s1 ZINC000237405197 202255915 /nfs/dbraw/zinc/25/59/15/202255915.db2.gz YFTVMKWGWTYKQN-DGCLKSJQSA-N 1 0 311.451 2.048 50 0 DEAARO CC(C)COc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1Cl ZINC000187355729 200100577 /nfs/dbraw/zinc/10/05/77/200100577.db2.gz KLUNZTUVIQBSLS-CQSZACIVSA-N 1 0 312.797 2.302 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000238009186 283478281 /nfs/dbraw/zinc/47/82/81/283478281.db2.gz VIQHKDQTFZLJHY-ZFWWWQNUSA-N 1 0 305.397 2.283 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2F)n1 ZINC000237568404 202287215 /nfs/dbraw/zinc/28/72/15/202287215.db2.gz DMSRZGBKAPAOSO-LBPRGKRZSA-N 1 0 316.380 2.062 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000237659364 202320066 /nfs/dbraw/zinc/32/00/66/202320066.db2.gz SKYINRQUBYRGFD-SUMWQHHRSA-N 1 0 312.417 2.380 50 0 DEAARO Cn1nccc1C1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237677130 202324754 /nfs/dbraw/zinc/32/47/54/202324754.db2.gz QLZILMDPRWZKOV-MRXNPFEDSA-N 1 0 312.417 2.216 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000237692856 202329800 /nfs/dbraw/zinc/32/98/00/202329800.db2.gz JOMFIDWEQCLVIB-HZPDHXFCSA-N 1 0 316.445 2.287 50 0 DEAARO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)cc1 ZINC000237933167 202395888 /nfs/dbraw/zinc/39/58/88/202395888.db2.gz LSPOLEUBWDSOOW-UHFFFAOYSA-N 1 0 312.417 2.123 50 0 DEAARO Cn1cncc1C[NH2+]CC1(c2cccc(F)c2)CCOCC1 ZINC000237925117 202392964 /nfs/dbraw/zinc/39/29/64/202392964.db2.gz ZXZOUOWVILYEPG-UHFFFAOYSA-N 1 0 303.381 2.397 50 0 DEAARO C[NH+]1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000006002098 181305099 /nfs/dbraw/zinc/30/50/99/181305099.db2.gz SEDOGNURVZTCBL-UHFFFAOYSA-N 1 0 304.415 2.212 50 0 DEAARO C[N@H+](CCC(C)(C)O)CC(=O)NCCc1cccc(Cl)c1 ZINC000670440821 540933979 /nfs/dbraw/zinc/93/39/79/540933979.db2.gz LYTQYAIUGUZMSI-UHFFFAOYSA-N 1 0 312.841 2.092 50 0 DEAARO COc1ccc(/C=C\C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1F ZINC000606441771 361008398 /nfs/dbraw/zinc/00/83/98/361008398.db2.gz ZXQJLEYEUYTPQW-PGGQVOCTSA-N 1 0 306.381 2.433 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)c1 ZINC000670452248 540935783 /nfs/dbraw/zinc/93/57/83/540935783.db2.gz SRAKTROVXOHVED-YOEHRIQHSA-N 1 0 315.417 2.201 50 0 DEAARO O[C@@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)ccn2)C1 ZINC000670458218 540936815 /nfs/dbraw/zinc/93/68/15/540936815.db2.gz AROOLMSTMWBHOR-GFCCVEGCSA-N 1 0 303.328 2.359 50 0 DEAARO COc1ccc(C[N@H+](C)C[C@H]2CCCN(CCO)C2)c(C)c1 ZINC000670459525 540936929 /nfs/dbraw/zinc/93/69/29/540936929.db2.gz QVMYKJAWWKQWGY-MRXNPFEDSA-N 1 0 306.450 2.140 50 0 DEAARO Cc1cc2n(n1)CCN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000670471690 540938169 /nfs/dbraw/zinc/93/81/69/540938169.db2.gz IIBRBCYKBOZTEL-SFHVURJKSA-N 1 0 324.428 2.198 50 0 DEAARO CCCN1CCN(C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CC1=O ZINC000670469769 540938377 /nfs/dbraw/zinc/93/83/77/540938377.db2.gz KEPFKMVRMPIUKA-UHFFFAOYSA-N 1 0 323.481 2.014 50 0 DEAARO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 ZINC000194865965 201303943 /nfs/dbraw/zinc/30/39/43/201303943.db2.gz XVKJJAWJYOWPII-PBHICJAKSA-N 1 0 322.474 2.251 50 0 DEAARO Nc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244884308 202507035 /nfs/dbraw/zinc/50/70/35/202507035.db2.gz YJPQRALNCOSWHR-JOCQHMNTSA-N 1 0 315.396 2.447 50 0 DEAARO CC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000195573391 201416698 /nfs/dbraw/zinc/41/66/98/201416698.db2.gz CQRABSFCCGZJJX-BBRMVZONSA-N 1 0 308.397 2.156 50 0 DEAARO Cc1c(C)n(CC[NH+](C)C)c2ncn(Cc3ccco3)c(=N)c12 ZINC000006662230 181367324 /nfs/dbraw/zinc/36/73/24/181367324.db2.gz BOLDNVBYGVVHBX-UHFFFAOYSA-N 1 0 313.405 2.137 50 0 DEAARO CCC[C@H]1CN(C(=O)C2(c3ccc(OC)cc3)CC2)C[C@@H]1[NH3+] ZINC000091351068 193045561 /nfs/dbraw/zinc/04/55/61/193045561.db2.gz POQATIICKHYBFG-BBRMVZONSA-N 1 0 302.418 2.313 50 0 DEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc2sccc2c1 ZINC000091574397 193074347 /nfs/dbraw/zinc/07/43/47/193074347.db2.gz UQASXFNHAVSJCU-KBPBESRZSA-N 1 0 304.415 2.350 50 0 DEAARO COCC[C@]1(O)CC[N@H+](CCOc2cccc(OC)c2)C[C@H]1C ZINC000091625327 193080719 /nfs/dbraw/zinc/08/07/19/193080719.db2.gz DDRMQBJDSUCOCZ-CRAIPNDOSA-N 1 0 323.433 2.183 50 0 DEAARO COc1cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)ncn1 ZINC000091793722 193109262 /nfs/dbraw/zinc/10/92/62/193109262.db2.gz PJHQJDINJUCFSX-HUUCEWRRSA-N 1 0 302.422 2.186 50 0 DEAARO Cc1ccccc1[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C ZINC000091793413 193109550 /nfs/dbraw/zinc/10/95/50/193109550.db2.gz VCKVCJOOOWWIQX-INIZCTEOSA-N 1 0 305.466 2.302 50 0 DEAARO CN(C/C=C/c1ccccc1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252536263 202862776 /nfs/dbraw/zinc/86/27/76/202862776.db2.gz IAFYIXIKNWLBHE-CZXPBSPDSA-N 1 0 310.401 2.447 50 0 DEAARO Cn1nccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000092965449 193189194 /nfs/dbraw/zinc/18/91/94/193189194.db2.gz FLNUVYGLIPTMGS-UHFFFAOYSA-N 1 0 316.380 2.410 50 0 DEAARO COCOc1ccc(OC)cc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000093437601 193251346 /nfs/dbraw/zinc/25/13/46/193251346.db2.gz NDTMUZAEZHSZQM-GDBMZVCRSA-N 1 0 320.433 2.346 50 0 DEAARO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc([S@@](C)=O)cc1 ZINC000095968220 193465185 /nfs/dbraw/zinc/46/51/85/193465185.db2.gz TVUBTMHMJQSEDV-ODXCJYRJSA-N 1 0 313.488 2.333 50 0 DEAARO COC(=O)[C@@H](O)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000095986823 193479402 /nfs/dbraw/zinc/47/94/02/193479402.db2.gz SVXDCHBEYKKYJO-INIZCTEOSA-N 1 0 305.418 2.210 50 0 DEAARO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000096487633 193667601 /nfs/dbraw/zinc/66/76/01/193667601.db2.gz CFIBVJKOKVVGAC-GOEBONIOSA-N 1 0 311.470 2.175 50 0 DEAARO Cn1ncc2c1ncnc2NCC1([NH+](C)C)CCCCCC1 ZINC000014262290 181946925 /nfs/dbraw/zinc/94/69/25/181946925.db2.gz IVWBGEPZCZETTQ-UHFFFAOYSA-N 1 0 302.426 2.430 50 0 DEAARO O=C(c1ccncc1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000097371006 193711934 /nfs/dbraw/zinc/71/19/34/193711934.db2.gz MFHDNRXTGKARBC-HNNXBMFYSA-N 1 0 305.447 2.171 50 0 DEAARO C[C@@H]1C[N+](=C2C=C(N3CCOCC3)CC(C)(C)C2)C[C@H](C)O1 ZINC000015953090 182026688 /nfs/dbraw/zinc/02/66/88/182026688.db2.gz FOHQMBFMAQGJHL-GASCZTMLSA-N 1 0 307.458 2.283 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2cccc(OC)c2OC)CC1 ZINC000016580610 182050937 /nfs/dbraw/zinc/05/09/37/182050937.db2.gz JNSLVQKNQBXLRR-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCOCC1 ZINC000019205202 182107548 /nfs/dbraw/zinc/10/75/48/182107548.db2.gz HACSALNKWCJCSD-HNNXBMFYSA-N 1 0 310.397 2.488 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1 ZINC000019731394 182139548 /nfs/dbraw/zinc/13/95/48/182139548.db2.gz PIVWLJSMYWMCTF-KRWDZBQOSA-N 1 0 306.450 2.220 50 0 DEAARO CCn1ccnc1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000019772131 182145265 /nfs/dbraw/zinc/14/52/65/182145265.db2.gz OCGINQYBWIYZOO-KRWDZBQOSA-N 1 0 320.481 2.104 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCCC2)nc1 ZINC000020203049 182197711 /nfs/dbraw/zinc/19/77/11/182197711.db2.gz FYOPLAJNVHUKPO-MRXNPFEDSA-N 1 0 316.449 2.286 50 0 DEAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000020386133 182213940 /nfs/dbraw/zinc/21/39/40/182213940.db2.gz SOCMLQSMPFUXCL-ZFWWWQNUSA-N 1 0 316.401 2.043 50 0 DEAARO Cc1ccc(CN2CC[N@@H+](C3CCSCC3)C[C@@H]2CCO)o1 ZINC000020327229 182207444 /nfs/dbraw/zinc/20/74/44/182207444.db2.gz XPZYDMXIPICQTA-INIZCTEOSA-N 1 0 324.490 2.352 50 0 DEAARO CC[NH+]1CCN(CCCOc2ccc(C(C)=O)cc2OC)CC1 ZINC000020406353 182215294 /nfs/dbraw/zinc/21/52/94/182215294.db2.gz PJJHMEMEYZWVKI-UHFFFAOYSA-N 1 0 320.433 2.304 50 0 DEAARO CC(=O)c1cc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cs1 ZINC000022932511 182342802 /nfs/dbraw/zinc/34/28/02/182342802.db2.gz NHRZOFBTIZFRGW-HNNXBMFYSA-N 1 0 310.463 2.228 50 0 DEAARO CCc1ccc(C[NH+]2CCC(n3cc(C[C@H](C)O)nn3)CC2)o1 ZINC000023312057 182356256 /nfs/dbraw/zinc/35/62/56/182356256.db2.gz NOGHLNNUPCPGTR-ZDUSSCGKSA-N 1 0 318.421 2.194 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000023127936 182349261 /nfs/dbraw/zinc/34/92/61/182349261.db2.gz HYBQEBXTSGTLIJ-UHFFFAOYSA-N 1 0 312.360 2.053 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(C)CC2)c2ccc(C)cc12 ZINC000028297078 182520036 /nfs/dbraw/zinc/52/00/36/182520036.db2.gz CFWSESJFJBWWHC-QGZVFWFLSA-N 1 0 315.461 2.175 50 0 DEAARO CC[C@H]([NH2+]Cc1ccccc1OC)C(=O)Nc1cc(C)on1 ZINC000028621945 182531353 /nfs/dbraw/zinc/53/13/53/182531353.db2.gz LHWYQSBAIJIEKW-ZDUSSCGKSA-N 1 0 303.362 2.499 50 0 DEAARO CCn1cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(C)n1 ZINC000039405673 183018311 /nfs/dbraw/zinc/01/83/11/183018311.db2.gz HMCVYSKUWYAOMQ-QGZVFWFLSA-N 1 0 322.497 2.126 50 0 DEAARO Cc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000040525336 183092260 /nfs/dbraw/zinc/09/22/60/183092260.db2.gz GCSYNFIRGZPBQJ-OAHLLOKOSA-N 1 0 305.422 2.272 50 0 DEAARO C[C@@H](CNC(=O)c1cncc(Br)c1)[NH+]1CCCC1 ZINC000042504379 183277780 /nfs/dbraw/zinc/27/77/80/183277780.db2.gz ZJCWBVDCOQDETF-JTQLQIEISA-N 1 0 312.211 2.058 50 0 DEAARO Cc1noc2nc(C)cc(C(=O)NCC3([NH+](C)C)CCCC3)c12 ZINC000042764596 183306311 /nfs/dbraw/zinc/30/63/11/183306311.db2.gz SHZYPKLSQAFDFX-UHFFFAOYSA-N 1 0 316.405 2.444 50 0 DEAARO C[NH+](C)C(C)(C)CNC(=O)NCc1cc(-c2ccccc2)no1 ZINC000043189552 183343330 /nfs/dbraw/zinc/34/33/30/183343330.db2.gz PXXIDNGKZUJBJF-UHFFFAOYSA-N 1 0 316.405 2.481 50 0 DEAARO Cc1nnc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000043412398 183360768 /nfs/dbraw/zinc/36/07/68/183360768.db2.gz MWTLZQRGUJENPR-NSHDSACASA-N 1 0 321.406 2.398 50 0 DEAARO O=C(NCCCC[NH+]1CCCC1)c1ccc2nsnc2c1 ZINC000044227144 183399776 /nfs/dbraw/zinc/39/97/76/183399776.db2.gz QGTNIYJEJYTBDT-UHFFFAOYSA-N 1 0 304.419 2.297 50 0 DEAARO CCn1nnc2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc21 ZINC000044893830 183449832 /nfs/dbraw/zinc/44/98/32/183449832.db2.gz IJIAWQDVXUIUSI-UHFFFAOYSA-N 1 0 317.437 2.300 50 0 DEAARO C[C@H](CNS(=O)(=O)c1ccccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000105579298 194113205 /nfs/dbraw/zinc/11/32/05/194113205.db2.gz JPSUMHDGJXYAHH-QWHCGFSZSA-N 1 0 314.426 2.367 50 0 DEAARO O=C(Nc1nnc(C2CC2)s1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000106083104 194184630 /nfs/dbraw/zinc/18/46/30/194184630.db2.gz YRIOMNMHOWBFND-WDEREUQCSA-N 1 0 307.423 2.164 50 0 DEAARO Cc1cccc([C@@H](C)[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000285328870 218383058 /nfs/dbraw/zinc/38/30/58/218383058.db2.gz BPHPHMHGGFYPQP-CQSZACIVSA-N 1 0 310.463 2.317 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000053203122 183892469 /nfs/dbraw/zinc/89/24/69/183892469.db2.gz KYSFUYHONQZDAN-NSHDSACASA-N 1 0 322.352 2.078 50 0 DEAARO Cc1noc(C2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)n1 ZINC000053639215 183908625 /nfs/dbraw/zinc/90/86/25/183908625.db2.gz UBJOLMGPACYBCK-OAHLLOKOSA-N 1 0 305.353 2.430 50 0 DEAARO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCc1cccs1 ZINC000058209995 184088391 /nfs/dbraw/zinc/08/83/91/184088391.db2.gz JUVWHXJZTOXPJY-INIZCTEOSA-N 1 0 300.427 2.464 50 0 DEAARO COc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3ccnn3C2)c(OC)c1 ZINC000058312062 184104066 /nfs/dbraw/zinc/10/40/66/184104066.db2.gz ALJBSDIEGAYEIP-OLZOCXBDSA-N 1 0 316.405 2.293 50 0 DEAARO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058328640 184105612 /nfs/dbraw/zinc/10/56/12/184105612.db2.gz ZNPCTJIEZURZKN-WBVHZDCISA-N 1 0 320.408 2.333 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000058405017 184113869 /nfs/dbraw/zinc/11/38/69/184113869.db2.gz XKHDMHKAUHDSOB-CQSZACIVSA-N 1 0 321.494 2.249 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000060100387 184144631 /nfs/dbraw/zinc/14/46/31/184144631.db2.gz WUZSLXBVPGSTDP-AWEZNQCLSA-N 1 0 305.374 2.233 50 0 DEAARO COC(=O)c1ccc([C@@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000062001630 184200707 /nfs/dbraw/zinc/20/07/07/184200707.db2.gz UZAHARYZRYRNPW-LPHOPBHVSA-N 1 0 322.364 2.398 50 0 biogenic DEAARO O=S1(=O)CC[C@H]([NH2+]CCc2nccs2)c2ccccc21 ZINC000063133789 184272847 /nfs/dbraw/zinc/27/28/47/184272847.db2.gz VAQORINXNOQNCP-LBPRGKRZSA-N 1 0 308.428 2.194 50 0 DEAARO Cc1onc(-c2ccccn2)c1C(=O)NCC[NH+]1CCCCC1 ZINC000064472183 184298296 /nfs/dbraw/zinc/29/82/96/184298296.db2.gz NBSMHPBAZIJVCL-UHFFFAOYSA-N 1 0 314.389 2.261 50 0 DEAARO O[C@@H](C[NH2+]Cc1ccccc1F)COc1ccc2c(c1)OCO2 ZINC000063523804 184284295 /nfs/dbraw/zinc/28/42/95/184284295.db2.gz WSKPFHGJCWSHKO-ZDUSSCGKSA-N 1 0 319.332 2.084 50 0 DEAARO Cc1nc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000065413007 184340667 /nfs/dbraw/zinc/34/06/67/184340667.db2.gz YPPXSZJFZPDWQB-AWEZNQCLSA-N 1 0 308.451 2.221 50 0 DEAARO CCCCN(Cc1ccco1)C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000065436002 184344790 /nfs/dbraw/zinc/34/47/90/184344790.db2.gz LHXSMQJTTYBICO-AWEZNQCLSA-N 1 0 307.419 2.435 50 0 DEAARO CN(C(=O)C[NH+]1CCC(c2cn[nH]c2)CC1)C1CCCCC1 ZINC000065467305 184350081 /nfs/dbraw/zinc/35/00/81/184350081.db2.gz HYQGHBZCUQTAMB-UHFFFAOYSA-N 1 0 304.438 2.380 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)NCCc2nc3c(s2)CCC3)CC1 ZINC000065528843 184360039 /nfs/dbraw/zinc/36/00/39/184360039.db2.gz XVOUNIOEJCWDMF-UHFFFAOYSA-N 1 0 321.490 2.411 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000065565633 184367363 /nfs/dbraw/zinc/36/73/63/184367363.db2.gz DFQJNRQURHQNDL-CQSZACIVSA-N 1 0 318.339 2.256 50 0 DEAARO CN(CCc1ccccn1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065508171 184357064 /nfs/dbraw/zinc/35/70/64/184357064.db2.gz COBRQSMGCUOGGC-UHFFFAOYSA-N 1 0 307.401 2.205 50 0 DEAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1ccccc1 ZINC000065622075 184374953 /nfs/dbraw/zinc/37/49/53/184374953.db2.gz LMTMJAXJKKLWAB-QGZVFWFLSA-N 1 0 304.434 2.236 50 0 DEAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 ZINC000065674454 184376784 /nfs/dbraw/zinc/37/67/84/184376784.db2.gz UGQVJTIKUXFGOB-STQMWFEESA-N 1 0 304.390 2.266 50 0 DEAARO COc1cc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)cc2c1OCO2 ZINC000069418485 184513540 /nfs/dbraw/zinc/51/35/40/184513540.db2.gz ITEDMYYHITYBAV-VXGBXAGGSA-N 1 0 303.362 2.360 50 0 DEAARO C[C@H](c1cccc(Br)c1)N1CC[NH+](CCO)CC1 ZINC000119753735 195030667 /nfs/dbraw/zinc/03/06/67/195030667.db2.gz UNMNNTDLINLMFP-GFCCVEGCSA-N 1 0 313.239 2.120 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000158479772 197276899 /nfs/dbraw/zinc/27/68/99/197276899.db2.gz HMRNGIFTDGKMKW-ZDUSSCGKSA-N 1 0 319.792 2.487 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000158184593 197251246 /nfs/dbraw/zinc/25/12/46/197251246.db2.gz HISYUPXDPAOBPH-OQHXTRMZSA-N 1 0 309.207 2.412 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000157998164 197234385 /nfs/dbraw/zinc/23/43/85/197234385.db2.gz YQHHRNBBGYJCTB-IRXDYDNUSA-N 1 0 319.424 2.130 50 0 DEAARO C[C@H]([NH3+])C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000157956302 197230682 /nfs/dbraw/zinc/23/06/82/197230682.db2.gz RIQLGPCLPHFBME-ZETCQYMHSA-N 1 0 303.225 2.349 50 0 DEAARO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000299739199 533147174 /nfs/dbraw/zinc/14/71/74/533147174.db2.gz LSWANSZXNSGTPG-DDUZABMNSA-N 1 0 302.418 2.399 50 0 DEAARO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000153970011 196925560 /nfs/dbraw/zinc/92/55/60/196925560.db2.gz YBHKFVOWTLRMCG-GJZGRUSLSA-N 1 0 301.434 2.418 50 0 DEAARO CCCNC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095380261 257271967 /nfs/dbraw/zinc/27/19/67/257271967.db2.gz CLEVNKGBENOZDP-HNNXBMFYSA-N 1 0 321.469 2.134 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](c2ccc(F)cc2)O1 ZINC000237524423 257238658 /nfs/dbraw/zinc/23/86/58/257238658.db2.gz SFKFHTZSYZLJRF-MEDUHNTESA-N 1 0 318.348 2.480 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCOc1ccc(F)cc1F ZINC000237487031 257238706 /nfs/dbraw/zinc/23/87/06/257238706.db2.gz PPQWMLOEYJEYMT-AAEUAGOBSA-N 1 0 312.360 2.462 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000237388738 257238731 /nfs/dbraw/zinc/23/87/31/257238731.db2.gz SQPLIOVJFSDUSX-UKRRQHHQSA-N 1 0 318.417 2.119 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000237498570 257238809 /nfs/dbraw/zinc/23/88/09/257238809.db2.gz CEXIZQTXAZSXAS-NEPJUHHUSA-N 1 0 318.808 2.478 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1[nH]nc2ccccc21 ZINC000071870413 184878298 /nfs/dbraw/zinc/87/82/98/184878298.db2.gz DEVDELGKFXSWCX-SJORKVTESA-N 1 0 312.417 2.191 50 0 DEAARO O=C(Cc1cccc(Br)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122438034 195451438 /nfs/dbraw/zinc/45/14/38/195451438.db2.gz UKJOIHOGODCKGD-KGLIPLIRSA-N 1 0 323.234 2.345 50 0 DEAARO O=C(NC[C@@H]1CC=CCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132820651 144769827 /nfs/dbraw/zinc/76/98/27/144769827.db2.gz NDKZHQOXOOTAFH-HZPDHXFCSA-N 1 0 321.465 2.143 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH2+]C[C@H]2CCCO2)c2ccccc12 ZINC000004189304 401725297 /nfs/dbraw/zinc/72/52/97/401725297.db2.gz LITRHYXJMAYHDP-HZPDHXFCSA-N 1 0 302.418 2.388 50 0 DEAARO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000008171828 401749313 /nfs/dbraw/zinc/74/93/13/401749313.db2.gz XNEVRVWAWZVDNB-CABCVRRESA-N 1 0 317.433 2.136 50 0 DEAARO Cc1ncc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000071859759 401688588 /nfs/dbraw/zinc/68/85/88/401688588.db2.gz JKLWMBIMZPFYRP-ZDUSSCGKSA-N 1 0 303.435 2.342 50 0 DEAARO C[C@@H](CNC(=O)c1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000071867441 401689290 /nfs/dbraw/zinc/68/92/90/401689290.db2.gz FYYWBYQHFXUILR-HNNXBMFYSA-N 1 0 311.429 2.206 50 0 DEAARO COc1ccc(C[N@@H+]2CCCC[C@H]2Cn2cncn2)cc1F ZINC000071876150 401690213 /nfs/dbraw/zinc/69/02/13/401690213.db2.gz YBIBYFRKRGKTLU-AWEZNQCLSA-N 1 0 304.369 2.481 50 0 DEAARO CCOc1ccccc1N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000000279943 401693644 /nfs/dbraw/zinc/69/36/44/401693644.db2.gz WJXBNQHXFKUBML-UHFFFAOYSA-N 1 0 303.450 2.302 50 0 DEAARO COC(=O)[C@H]1C[N@H+](C)CC[C@]1(C)OC(=O)Oc1ccccc1 ZINC000000345614 401694773 /nfs/dbraw/zinc/69/47/73/401694773.db2.gz DGPKGLHMCMOPGO-CJNGLKHVSA-N 1 0 307.346 2.085 50 0 DEAARO c1ccc2c(c1)OC[C@@H](C[NH2+]C[C@@H]1COc3ccccc3O1)O2 ZINC000000344121 401694891 /nfs/dbraw/zinc/69/48/91/401694891.db2.gz NVVZMJKLSIWBPQ-ZIAGYGMSSA-N 1 0 313.353 2.256 50 0 DEAARO CCOc1ccccc1OCCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000126480074 401696427 /nfs/dbraw/zinc/69/64/27/401696427.db2.gz RHGFADBNBGNRSJ-AWEZNQCLSA-N 1 0 306.406 2.065 50 0 DEAARO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH2+]C(C)(C)C)C1=O ZINC000002886567 401719422 /nfs/dbraw/zinc/71/94/22/401719422.db2.gz MAQSXVVNVWJUNY-SNVBAGLBSA-N 1 0 310.781 2.369 50 0 DEAARO COc1ccccc1C[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000013688660 401803092 /nfs/dbraw/zinc/80/30/92/401803092.db2.gz YLMXKIZVUGBFDN-UHFFFAOYSA-N 1 0 311.385 2.175 50 0 DEAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C)CC2 ZINC000014537792 401811811 /nfs/dbraw/zinc/81/18/11/401811811.db2.gz VIBCVOUCVIVZPG-UHFFFAOYSA-N 1 0 309.454 2.417 50 0 DEAARO O=C(NCC[NH+]1CCCCCC1)c1cc(-c2cccnc2)on1 ZINC000075117598 401749813 /nfs/dbraw/zinc/74/98/13/401749813.db2.gz XNCNGECFYAJLSH-UHFFFAOYSA-N 1 0 314.389 2.342 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]CCO[C@@H]1CCCC[C@@H]1C)CC2 ZINC000075131592 401750918 /nfs/dbraw/zinc/75/09/18/401750918.db2.gz HSTFBVINJUWMGD-CWRNSKLLSA-N 1 0 306.454 2.334 50 0 DEAARO NC(=O)c1c(NC(=O)C[NH2+]C2CCCC2)sc2c1CCCC2 ZINC000008708405 401755308 /nfs/dbraw/zinc/75/53/08/401755308.db2.gz QSCJQTTZALCZPF-UHFFFAOYSA-N 1 0 321.446 2.197 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccn3C)cc2)CC1 ZINC000009368488 401762386 /nfs/dbraw/zinc/76/23/86/401762386.db2.gz UXBDFPWPGWFSFH-UHFFFAOYSA-N 1 0 312.417 2.419 50 0 DEAARO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010339973 401769583 /nfs/dbraw/zinc/76/95/83/401769583.db2.gz OROMOKQPKSCGQG-HNNXBMFYSA-N 1 0 303.406 2.305 50 0 DEAARO CNC(=O)CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863251 401771006 /nfs/dbraw/zinc/77/10/06/401771006.db2.gz JEJZXYNFDIIIJF-CYBMUJFWSA-N 1 0 309.841 2.155 50 0 DEAARO CSC[C@H](C)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000076018047 401777338 /nfs/dbraw/zinc/77/73/38/401777338.db2.gz VGNBGKSBYBBVQO-CMPLNLGQSA-N 1 0 301.481 2.402 50 0 DEAARO Cc1cccc(/C=C/C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000076041705 401778521 /nfs/dbraw/zinc/77/85/21/401778521.db2.gz RIANUNRWILABCF-DUMMIQTOSA-N 1 0 314.429 2.189 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076052215 401779287 /nfs/dbraw/zinc/77/92/87/401779287.db2.gz ORNPLJWNJRRWIG-IAGOWNOFSA-N 1 0 317.433 2.428 50 0 DEAARO Cc1nc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000012296352 401782496 /nfs/dbraw/zinc/78/24/96/401782496.db2.gz GJWGDOVQSNDZNN-DZGCQCFKSA-N 1 0 307.463 2.375 50 0 biogenic DEAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)C1CC1 ZINC000076108058 401782747 /nfs/dbraw/zinc/78/27/47/401782747.db2.gz KNLZAKPDHVNUHH-SJORKVTESA-N 1 0 302.418 2.195 50 0 DEAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)cn1 ZINC000012753332 401790956 /nfs/dbraw/zinc/79/09/56/401790956.db2.gz ODNPATHVSBDZTG-HNNXBMFYSA-N 1 0 304.438 2.035 50 0 DEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000013115943 401796639 /nfs/dbraw/zinc/79/66/39/401796639.db2.gz OJSQJYYLFNJTIJ-GASCZTMLSA-N 1 0 302.418 2.400 50 0 DEAARO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020169317 401823689 /nfs/dbraw/zinc/82/36/89/401823689.db2.gz GRDSFLZGWBWTBZ-CYBMUJFWSA-N 1 0 308.397 2.189 50 0 DEAARO COc1ccc2[nH+]c(C)cc(NCCN3CCOCC3)c2c1 ZINC000025436430 401834392 /nfs/dbraw/zinc/83/43/92/401834392.db2.gz BUXDAWLNWXNSOB-UHFFFAOYSA-N 1 0 301.390 2.296 50 0 DEAARO CC(C)[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000026943077 401842829 /nfs/dbraw/zinc/84/28/29/401842829.db2.gz XZEWWDCUFOSZRA-UHFFFAOYSA-N 1 0 303.406 2.200 50 0 DEAARO C[C@@H]1COCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031664506 401872742 /nfs/dbraw/zinc/87/27/42/401872742.db2.gz SLKJLWHOIWXTMV-OAHLLOKOSA-N 1 0 317.433 2.081 50 0 DEAARO CCN(C)C(=O)c1ccc(N2CC([N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000077385560 401813454 /nfs/dbraw/zinc/81/34/54/401813454.db2.gz JWRMXRHKKYPQHD-CQSZACIVSA-N 1 0 316.449 2.237 50 0 DEAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000014883203 401813883 /nfs/dbraw/zinc/81/38/83/401813883.db2.gz STRLDGYPOCZRQP-CQSZACIVSA-N 1 0 306.406 2.194 50 0 DEAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)C1=O ZINC000014957898 401814380 /nfs/dbraw/zinc/81/43/80/401814380.db2.gz FIFCIRPBPQNGLW-SFHVURJKSA-N 1 0 300.402 2.066 50 0 DEAARO Cc1ccn(CC[N@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077472603 401816252 /nfs/dbraw/zinc/81/62/52/401816252.db2.gz OAWKIPVELUZBNA-GOSISDBHSA-N 1 0 318.465 2.305 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3ccccc32)C1 ZINC000032902621 401885525 /nfs/dbraw/zinc/88/55/25/401885525.db2.gz MHWGOWCSOXVKTP-CQSZACIVSA-N 1 0 315.417 2.255 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)cn2)C[C@@H]1CC ZINC000133561135 401890525 /nfs/dbraw/zinc/89/05/25/401890525.db2.gz LRGGJMZWSNKTEK-HNNXBMFYSA-N 1 0 320.437 2.355 50 0 DEAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000035230407 401897025 /nfs/dbraw/zinc/89/70/25/401897025.db2.gz YJYOZYCEUNFLHI-LLVKDONJSA-N 1 0 308.378 2.324 50 0 DEAARO C[C@@H](CO)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000035602165 401899966 /nfs/dbraw/zinc/89/99/66/401899966.db2.gz RYFVFVQAKMEUEA-VIFPVBQESA-N 1 0 316.195 2.081 50 0 DEAARO Cc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000036103382 401902718 /nfs/dbraw/zinc/90/27/18/401902718.db2.gz MIZYHRLLWHPVOZ-UHFFFAOYSA-N 1 0 302.418 2.179 50 0 DEAARO [NH3+][C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000036297612 401904386 /nfs/dbraw/zinc/90/43/86/401904386.db2.gz DZWRGWPEZQASHL-CYBMUJFWSA-N 1 0 310.806 2.318 50 0 DEAARO COC(=O)[C@@H](NCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000037964857 401918749 /nfs/dbraw/zinc/91/87/49/401918749.db2.gz AEQKJSMTBSTZAY-LBPRGKRZSA-N 1 0 305.205 2.359 50 0 DEAARO CC(C)(C)c1noc(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000044942101 401951378 /nfs/dbraw/zinc/95/13/78/401951378.db2.gz RNWVXPFHRZWRRU-CHWSQXEVSA-N 1 0 320.437 2.043 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2c(C)oc(C)c2C)CC1 ZINC000089557938 401951917 /nfs/dbraw/zinc/95/19/17/401951917.db2.gz IOFLLIOTNNSTTJ-UHFFFAOYSA-N 1 0 308.422 2.293 50 0 DEAARO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549335 401952000 /nfs/dbraw/zinc/95/20/00/401952000.db2.gz JRWACZMLBCDHRU-JQFCIGGWSA-N 1 0 324.852 2.480 50 0 DEAARO Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000044968495 401952615 /nfs/dbraw/zinc/95/26/15/401952615.db2.gz RPYOARJBZKUEOY-UHFFFAOYSA-N 1 0 315.377 2.164 50 0 DEAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000048299840 401997670 /nfs/dbraw/zinc/99/76/70/401997670.db2.gz JUAKFCHVEVETFC-GFCCVEGCSA-N 1 0 307.419 2.215 50 0 DEAARO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000089761622 401961421 /nfs/dbraw/zinc/96/14/21/401961421.db2.gz ZFHPOVVAPXZFFX-OAHLLOKOSA-N 1 0 308.397 2.019 50 0 DEAARO CC(C)[C@@H](C(=O)NCc1cccc(CO)c1)[NH+]1CCCCC1 ZINC000089791094 401964298 /nfs/dbraw/zinc/96/42/98/401964298.db2.gz RFWOYHTZCIXCPI-KRWDZBQOSA-N 1 0 304.434 2.306 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)NC1CCC(C)CC1 ZINC000089922634 401973622 /nfs/dbraw/zinc/97/36/22/401973622.db2.gz SGOLMYORLCTRJY-FYRZTWFESA-N 1 0 318.465 2.434 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000089937785 401974870 /nfs/dbraw/zinc/97/48/70/401974870.db2.gz CNFKQGZKSXLETD-XVJNWHFHSA-N 1 0 310.401 2.048 50 0 DEAARO COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1F ZINC000090883074 401988728 /nfs/dbraw/zinc/98/87/28/401988728.db2.gz KJASPJOCKCBSKJ-LLVKDONJSA-N 1 0 315.410 2.310 50 0 DEAARO CCC(=O)c1ccc(OCC(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000044670912 401946793 /nfs/dbraw/zinc/94/67/93/401946793.db2.gz XWWXOEQHVHCDLT-OAHLLOKOSA-N 1 0 318.417 2.259 50 0 DEAARO O=C(C[N@@H+]1CCC[C@]2(CCOC2)C1)N1CCc2ccccc21 ZINC000095372186 402029120 /nfs/dbraw/zinc/02/91/20/402029120.db2.gz NABKBFQTHYZNMG-SFHVURJKSA-N 1 0 300.402 2.078 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)CCCOCc1ccccc1 ZINC000050576513 402029355 /nfs/dbraw/zinc/02/93/55/402029355.db2.gz ICUGPUBRHBXCJI-UHFFFAOYSA-N 1 0 322.449 2.068 50 0 DEAARO O=C(NCCCc1ncc[nH]1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095376266 402029504 /nfs/dbraw/zinc/02/95/04/402029504.db2.gz MWMPIJVQWSBPSO-MRXNPFEDSA-N 1 0 312.417 2.239 50 0 DEAARO Cc1cc(C)nc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000095381961 402030581 /nfs/dbraw/zinc/03/05/81/402030581.db2.gz CJWOKIBTGWZANV-HNNXBMFYSA-N 1 0 304.438 2.017 50 0 DEAARO C[C@H](c1cccnc1)N1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095451576 402033129 /nfs/dbraw/zinc/03/31/29/402033129.db2.gz JJVCIWMHAXIOPC-YSGRDPCXSA-N 1 0 323.440 2.419 50 0 DEAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000095941182 402035083 /nfs/dbraw/zinc/03/50/83/402035083.db2.gz BPHYZSCNTMTGKZ-UONOGXRCSA-N 1 0 308.422 2.409 50 0 DEAARO OCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000095963678 402037472 /nfs/dbraw/zinc/03/74/72/402037472.db2.gz UMCRZNAKSJDRKV-UHFFFAOYSA-N 1 0 300.196 2.037 50 0 DEAARO Cc1ccc(OC[C@@H](O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951804 402037610 /nfs/dbraw/zinc/03/76/10/402037610.db2.gz LEVRPIAGUNUHHO-SFHVURJKSA-N 1 0 318.461 2.295 50 0 DEAARO CN1CCN(C)[C@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000095974516 402039614 /nfs/dbraw/zinc/03/96/14/402039614.db2.gz PJGGDODQRCLYBN-GFCCVEGCSA-N 1 0 319.346 2.180 50 0 DEAARO COC(=O)CN1CCC[N@H+](CC(C)(C)c2ccccc2)CC1 ZINC000095986575 402042671 /nfs/dbraw/zinc/04/26/71/402042671.db2.gz NOYCQUVYQPFTGP-UHFFFAOYSA-N 1 0 304.434 2.145 50 0 DEAARO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(Cl)c1Cl ZINC000095985258 402042764 /nfs/dbraw/zinc/04/27/64/402042764.db2.gz ALFICPJLBOVYJB-MRVPVSSYSA-N 1 0 316.188 2.196 50 0 DEAARO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCc2ccc(OC)cc2)C1 ZINC000052560251 402043675 /nfs/dbraw/zinc/04/36/75/402043675.db2.gz CVLSUMSDJXTOKN-MRXNPFEDSA-N 1 0 319.449 2.411 50 0 DEAARO C[C@@H](Nc1ccc(N2CCOCC2)cn1)C1CC[NH+](C)CC1 ZINC000095990576 402043843 /nfs/dbraw/zinc/04/38/43/402043843.db2.gz UGSNCPJVYXFCSI-CQSZACIVSA-N 1 0 304.438 2.060 50 0 DEAARO C[C@@H]1CCCC[C@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000095996184 402044979 /nfs/dbraw/zinc/04/49/79/402044979.db2.gz BIKJUCAUJCZUFJ-SJORKVTESA-N 1 0 324.513 2.092 50 0 DEAARO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(C(C)(C)C)no1 ZINC000096012433 402047810 /nfs/dbraw/zinc/04/78/10/402047810.db2.gz NWAKGOBCUCUFJI-LLVKDONJSA-N 1 0 308.426 2.276 50 0 DEAARO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(F)c3)C2)n1 ZINC000052863009 402048414 /nfs/dbraw/zinc/04/84/14/402048414.db2.gz JCADFAKOMRRYFL-HIFRSBDPSA-N 1 0 305.353 2.430 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000053202972 402052585 /nfs/dbraw/zinc/05/25/85/402052585.db2.gz RNGCVYQBFBRAKW-LLVKDONJSA-N 1 0 322.352 2.078 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000122330003 402073187 /nfs/dbraw/zinc/07/31/87/402073187.db2.gz CYEMHJRAOXALGD-LLVKDONJSA-N 1 0 314.227 2.395 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000055089795 402075597 /nfs/dbraw/zinc/07/55/97/402075597.db2.gz XAURDIDTFFTYBH-LBPRGKRZSA-N 1 0 323.824 2.140 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC)c(OC)c1OC ZINC000096318709 402077405 /nfs/dbraw/zinc/07/74/05/402077405.db2.gz REBFSLSNYDGWOW-CQSZACIVSA-N 1 0 308.422 2.286 50 0 DEAARO COC(=O)CCC[NH+]1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000096409566 402079399 /nfs/dbraw/zinc/07/93/99/402079399.db2.gz AHHDVQMXTXSOKS-UHFFFAOYSA-N 1 0 324.465 2.491 50 0 DEAARO CCNC(=O)[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000055368960 402080604 /nfs/dbraw/zinc/08/06/04/402080604.db2.gz VFJWCRPKJOSHIL-ZDUSSCGKSA-N 1 0 316.380 2.174 50 0 DEAARO COc1ncc(CN(CC[NH+](C)C)Cc2ccc(C)s2)cn1 ZINC000055401922 402081835 /nfs/dbraw/zinc/08/18/35/402081835.db2.gz KGLPVCRWRSLQFI-UHFFFAOYSA-N 1 0 320.462 2.419 50 0 DEAARO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccs1 ZINC000096424712 402083537 /nfs/dbraw/zinc/08/35/37/402083537.db2.gz VTBCKZJLULGLFX-HUUCEWRRSA-N 1 0 310.463 2.332 50 0 DEAARO Cc1cc(NCCOCCS(C)(=O)=O)c2ccccc2[nH+]1 ZINC000096429660 402085360 /nfs/dbraw/zinc/08/53/60/402085360.db2.gz FVMJABJCQDOFLL-UHFFFAOYSA-N 1 0 308.403 2.016 50 0 DEAARO CC(C)[N@H+](C)CC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432823 402085682 /nfs/dbraw/zinc/08/56/82/402085682.db2.gz YUDIHCKRUCUEPA-UHFFFAOYSA-N 1 0 309.357 2.161 50 0 DEAARO CC[C@H]([NH2+]Cc1ncc[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473262 402093057 /nfs/dbraw/zinc/09/30/57/402093057.db2.gz YUQIMVQGAZKWIV-DLBZAZTESA-N 1 0 314.433 2.179 50 0 DEAARO c1ccc(C[C@@H](CN2CCOCC2)[NH2+][C@H]2CCSC2)cc1 ZINC000096477478 402093402 /nfs/dbraw/zinc/09/34/02/402093402.db2.gz AIKYDCFRVJCOGT-IRXDYDNUSA-N 1 0 306.475 2.025 50 0 DEAARO CC(C)C[N@@H+]1CC[C@H](C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000096496473 402097014 /nfs/dbraw/zinc/09/70/14/402097014.db2.gz JQZBTCKKRJWPCS-AWEZNQCLSA-N 1 0 313.405 2.184 50 0 DEAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000057924650 402098254 /nfs/dbraw/zinc/09/82/54/402098254.db2.gz ZGCWRNAAFCGMGK-IRXDYDNUSA-N 1 0 323.481 2.319 50 0 DEAARO C[C@@]([NH3+])(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CC1 ZINC000097049378 402102750 /nfs/dbraw/zinc/10/27/50/402102750.db2.gz UOEKVXPCMCOXSA-HOCLYGCPSA-N 1 0 308.809 2.447 50 0 DEAARO C[N@@H+]1CCC[C@H]1CCN1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000097095942 402106392 /nfs/dbraw/zinc/10/63/92/402106392.db2.gz ADLYBIRYGBHAFO-ROUUACIJSA-N 1 0 316.445 2.445 50 0 DEAARO CNC(=O)c1cccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1C ZINC000097115915 402109813 /nfs/dbraw/zinc/10/98/13/402109813.db2.gz ADAIAMPSOGGLHT-MRXNPFEDSA-N 1 0 315.417 2.168 50 0 DEAARO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000097135374 402110320 /nfs/dbraw/zinc/11/03/20/402110320.db2.gz 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/nfs/dbraw/zinc/11/66/14/402116614.db2.gz UFVUBPOVNGZCOU-UHFFFAOYSA-N 1 0 308.422 2.257 50 0 DEAARO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)c(F)c1 ZINC000097230760 402118859 /nfs/dbraw/zinc/11/88/59/402118859.db2.gz BRNWWCRBFYQDFM-QWRGUYRKSA-N 1 0 305.390 2.481 50 0 DEAARO COc1cc(C[N@@H+]2CC[C@H](Nc3cnccn3)C2)cc(OC)c1 ZINC000152961519 402119402 /nfs/dbraw/zinc/11/94/02/402119402.db2.gz CXLUEQCSBXGTSG-AWEZNQCLSA-N 1 0 314.389 2.180 50 0 DEAARO O=C(NCCSCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000096149242 402062673 /nfs/dbraw/zinc/06/26/73/402062673.db2.gz FXAOGGSJFXCJAT-OAHLLOKOSA-N 1 0 304.459 2.426 50 0 DEAARO C[C@H](CC[NH+]1CCN(c2ncc[nH]c2=O)CC1)c1ccccc1 ZINC000097480124 402125575 /nfs/dbraw/zinc/12/55/75/402125575.db2.gz YWWODZMXRQIAOD-OAHLLOKOSA-N 1 0 312.417 2.086 50 0 DEAARO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000065568679 402126181 /nfs/dbraw/zinc/12/61/81/402126181.db2.gz KPSUZVMICQKBSN-UONOGXRCSA-N 1 0 323.481 2.013 50 0 DEAARO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(C)=O)c1 ZINC000065587292 402126294 /nfs/dbraw/zinc/12/62/94/402126294.db2.gz KTQPWIIWJXZDKM-INIZCTEOSA-N 1 0 319.405 2.122 50 0 DEAARO Cc1nn(C)c2ncc(C[NH2+]CCc3cn4c(n3)CCCC4)cc12 ZINC000097880494 402132978 /nfs/dbraw/zinc/13/29/78/402132978.db2.gz FELCAXRSDNDSCN-UHFFFAOYSA-N 1 0 324.432 2.142 50 0 DEAARO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000097377853 402123388 /nfs/dbraw/zinc/12/33/88/402123388.db2.gz LMYUDBMDBBUSOU-QWHCGFSZSA-N 1 0 312.207 2.387 50 0 DEAARO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899199 402145606 /nfs/dbraw/zinc/14/56/06/402145606.db2.gz DOBIOYIJXKTCGJ-AWEZNQCLSA-N 1 0 304.390 2.121 50 0 DEAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1=O ZINC000067954905 402180732 /nfs/dbraw/zinc/18/07/32/402180732.db2.gz AXFACLKSMOWYGJ-KRWDZBQOSA-N 1 0 314.389 2.114 50 0 DEAARO C[NH+]1CCN(C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000068024742 402182646 /nfs/dbraw/zinc/18/26/46/402182646.db2.gz QVDCISQSJCURRM-LJQANCHMSA-N 1 0 323.440 2.405 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000068491995 402200183 /nfs/dbraw/zinc/20/01/83/402200183.db2.gz WKSAVDXVOWLNIJ-HUUCEWRRSA-N 1 0 322.424 2.404 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2ccc(Br)s2)C[C@H](C)[NH2+]1 ZINC000154243491 402201118 /nfs/dbraw/zinc/20/11/18/402201118.db2.gz NOKBMQVZXSZWOA-DTORHVGOSA-N 1 0 317.252 2.262 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2ccc(Br)s2)C[C@@H](C)[NH2+]1 ZINC000154243706 402201257 /nfs/dbraw/zinc/20/12/57/402201257.db2.gz NOKBMQVZXSZWOA-RKDXNWHRSA-N 1 0 317.252 2.262 50 0 DEAARO CC(C)C[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067459112 402159563 /nfs/dbraw/zinc/15/95/63/402159563.db2.gz MECSGRZJMPHMFQ-LJQANCHMSA-N 1 0 318.461 2.218 50 0 DEAARO C[C@H](C[N@H+](C)Cc1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000067560277 402162337 /nfs/dbraw/zinc/16/23/37/402162337.db2.gz GEALUZVGLDKENT-MRXNPFEDSA-N 1 0 314.433 2.025 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2scc3c2OCCO3)C1 ZINC000067642191 402165803 /nfs/dbraw/zinc/16/58/03/402165803.db2.gz PNFJCHJFOCYWMF-LBPRGKRZSA-N 1 0 324.446 2.323 50 0 DEAARO Cc1cccc(OCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1C ZINC000067675594 402167304 /nfs/dbraw/zinc/16/73/04/402167304.db2.gz LMGPMNZHGXFKEW-INIZCTEOSA-N 1 0 302.418 2.379 50 0 DEAARO Cc1cc(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000067714063 402169655 /nfs/dbraw/zinc/16/96/55/402169655.db2.gz LODLBGHIHKEEAJ-MRXNPFEDSA-N 1 0 313.401 2.164 50 0 DEAARO Cc1ccc(N2CCC([N@H+](C)CCC(N)=O)CC2)cc1Cl ZINC000067714618 402170084 /nfs/dbraw/zinc/17/00/84/402170084.db2.gz IBXRGYFTVXQPOA-UHFFFAOYSA-N 1 0 309.841 2.424 50 0 DEAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C[NH3+])CCO2 ZINC000067774549 402172521 /nfs/dbraw/zinc/17/25/21/402172521.db2.gz MBLNJTUAZGCKIK-UHFFFAOYSA-N 1 0 312.369 2.047 50 0 DEAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)C[C@H]12 ZINC000102875632 402173696 /nfs/dbraw/zinc/17/36/96/402173696.db2.gz JGSNCJGNJYFDSN-PHZGNYQRSA-N 1 0 318.392 2.055 50 0 DEAARO Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1-c1nc[nH]n1 ZINC000067909029 402178062 /nfs/dbraw/zinc/17/80/62/402178062.db2.gz PDCGABZIQWTAPC-UHFFFAOYSA-N 1 0 303.329 2.423 50 0 DEAARO C[NH+]1CCC2(CC1)CCCN(C(=O)c1ncccc1O)CC2 ZINC000067895447 402178160 /nfs/dbraw/zinc/17/81/60/402178160.db2.gz WTRHUWPWNBXIPS-UHFFFAOYSA-N 1 0 303.406 2.125 50 0 DEAARO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000106824356 402216813 /nfs/dbraw/zinc/21/68/13/402216813.db2.gz LLTZXFWJTVARTN-MWLCHTKSSA-N 1 0 320.780 2.258 50 0 DEAARO CN(C)C(=O)CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000069324653 402218131 /nfs/dbraw/zinc/21/81/31/402218131.db2.gz XKRSECHIFFGZOI-UHFFFAOYSA-N 1 0 303.450 2.063 50 0 DEAARO C[N@H+](Cc1cc(=O)n2ccsc2n1)C1Cc2ccccc2C1 ZINC000069418303 402222325 /nfs/dbraw/zinc/22/23/25/402222325.db2.gz IWTTYBWWQYWPRS-UHFFFAOYSA-N 1 0 311.410 2.355 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccsc2)CC1 ZINC000069417503 402222623 /nfs/dbraw/zinc/22/26/23/402222623.db2.gz VURUPLJIGYVTHW-ONEGZZNKSA-N 1 0 308.447 2.378 50 0 DEAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069489350 402226290 /nfs/dbraw/zinc/22/62/90/402226290.db2.gz FAYXMHNIRYKKKP-QAETUUGQSA-N 1 0 324.465 2.046 50 0 DEAARO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)s1 ZINC000069589940 402233257 /nfs/dbraw/zinc/23/32/57/402233257.db2.gz SSLZQGQUHIZZDB-CYBMUJFWSA-N 1 0 309.479 2.393 50 0 DEAARO Cc1nc(CN2CCC[C@H]([NH2+]CCc3cccs3)C2)no1 ZINC000069600148 402233582 /nfs/dbraw/zinc/23/35/82/402233582.db2.gz KXSIPXBBUPPXSP-ZDUSSCGKSA-N 1 0 306.435 2.236 50 0 DEAARO CCc1n[nH]cc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000069601712 402233853 /nfs/dbraw/zinc/23/38/53/402233853.db2.gz YQYHYUWKYRQNBS-HNNXBMFYSA-N 1 0 316.405 2.440 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000069656568 402236883 /nfs/dbraw/zinc/23/68/83/402236883.db2.gz WTQXHECVBVHQTE-UHFFFAOYSA-N 1 0 306.406 2.262 50 0 DEAARO OC[C@H]1CCC[N@@H+]1CCCCNc1ncnc2ccccc21 ZINC000069657973 402237291 /nfs/dbraw/zinc/23/72/91/402237291.db2.gz MVBUYOUAYCSCOM-CQSZACIVSA-N 1 0 300.406 2.279 50 0 DEAARO CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069776940 402243598 /nfs/dbraw/zinc/24/35/98/402243598.db2.gz LHNHYUGKWVKTEO-CQSZACIVSA-N 1 0 318.446 2.068 50 0 DEAARO Cc1nc(C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)no1 ZINC000069778235 402243649 /nfs/dbraw/zinc/24/36/49/402243649.db2.gz VYFHAOOGTCMCJQ-UHFFFAOYSA-N 1 0 320.437 2.396 50 0 DEAARO CC(C)c1noc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000069779930 402244300 /nfs/dbraw/zinc/24/43/00/402244300.db2.gz XBDMREVTHXVPPQ-UONOGXRCSA-N 1 0 320.437 2.211 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)NC1CCCCC1 ZINC000069841388 402246597 /nfs/dbraw/zinc/24/65/97/402246597.db2.gz SXFWMSJZLSYROC-UHFFFAOYSA-N 1 0 304.438 2.488 50 0 DEAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069870827 402248191 /nfs/dbraw/zinc/24/81/91/402248191.db2.gz VPUPKCCGBXZREQ-CYBMUJFWSA-N 1 0 304.369 2.338 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000069918910 402251192 /nfs/dbraw/zinc/25/11/92/402251192.db2.gz WWLQIDYSMGBRLE-NSHDSACASA-N 1 0 305.451 2.445 50 0 DEAARO COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000069923754 402251848 /nfs/dbraw/zinc/25/18/48/402251848.db2.gz SZUBPEUBIWNOMV-YXMGTMDOSA-N 1 0 316.401 2.085 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000069928393 402252043 /nfs/dbraw/zinc/25/20/43/402252043.db2.gz VZJMTMLZRSFWNT-IAGOWNOFSA-N 1 0 301.434 2.490 50 0 DEAARO Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)[nH]c2c1C(=O)CCC2 ZINC000070879261 402266259 /nfs/dbraw/zinc/26/62/59/402266259.db2.gz ATMKVGQASVHOKE-LBPRGKRZSA-N 1 0 303.406 2.055 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2ccn(C)n2)CCC[N@@H+]1CC1CC1 ZINC000071552286 402275787 /nfs/dbraw/zinc/27/57/87/402275787.db2.gz SGLILZLUTAYHRU-MRXNPFEDSA-N 1 0 304.438 2.003 50 0 DEAARO CCOC(=O)c1sc2ccccc2c1CN1CC[NH2+]CC1 ZINC000071790293 402277413 /nfs/dbraw/zinc/27/74/13/402277413.db2.gz 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COc1nc(C(=O)N2CCC([NH+](C)C)CC2)cc2ccccc21 ZINC000071841364 402287800 /nfs/dbraw/zinc/28/78/00/402287800.db2.gz HCJPJZKOHBRTFP-UHFFFAOYSA-N 1 0 313.401 2.410 50 0 DEAARO O=C(Cc1ccccc1O)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000219913081 402299756 /nfs/dbraw/zinc/29/97/56/402299756.db2.gz MBNSJFNYQDOBOW-OAHLLOKOSA-N 1 0 302.418 2.458 50 0 DEAARO [NH3+]C1CC(c2cc(N3CCCN(c4ccccc4)CC3)ncn2)C1 ZINC000220544330 402301820 /nfs/dbraw/zinc/30/18/20/402301820.db2.gz AVJKNDVKIKRCQO-UHFFFAOYSA-N 1 0 323.444 2.398 50 0 DEAARO c1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2Cc3ccccc3C2)nc1 ZINC000222668418 402307630 /nfs/dbraw/zinc/30/76/30/402307630.db2.gz TWVRWXSLENCFJZ-QZTJIDSGSA-N 1 0 310.397 2.375 50 0 DEAARO O=C(CCc1ccc(F)c(F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000223054648 402309481 /nfs/dbraw/zinc/30/94/81/402309481.db2.gz NHRXBFXCSJFOMI-QGZVFWFLSA-N 1 0 308.372 2.500 50 0 DEAARO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000225396760 402316553 /nfs/dbraw/zinc/31/65/53/402316553.db2.gz DFXWYUQMONTODO-ZJUUUORDSA-N 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Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)no1 ZINC000014980111 683849672 /nfs/dbraw/zinc/84/96/72/683849672.db2.gz VBENZQWTWOPSMO-INIZCTEOSA-N 1 0 313.401 2.420 50 0 DEAARO CN1C(=O)CCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014993545 683850174 /nfs/dbraw/zinc/85/01/74/683850174.db2.gz POJHNWAZECDWOR-UHFFFAOYSA-N 1 0 316.401 2.045 50 0 DEAARO CCC[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(C#N)nc2)C1 ZINC000067743848 683924916 /nfs/dbraw/zinc/92/49/16/683924916.db2.gz HUJIKDCETZKRIR-AWEZNQCLSA-N 1 0 300.406 2.195 50 0 DEAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067973804 683925559 /nfs/dbraw/zinc/92/55/59/683925559.db2.gz KQMYWWDHGAAWFD-GOSISDBHSA-N 1 0 310.401 2.292 50 0 DEAARO C[N@H+](CCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191777056 684436749 /nfs/dbraw/zinc/43/67/49/684436749.db2.gz OMWIWGPEKTUANE-SFHVURJKSA-N 1 0 309.413 2.357 50 0 DEAARO CN1C[C@@]2(C)C[NH+](CCC(=O)Nc3cccc(F)c3)C[C@]2(C)C1 ZINC000863950331 686600236 /nfs/dbraw/zinc/60/02/36/686600236.db2.gz 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CCC(=O)Nc1ccc(OC)cc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000952966253 792815344 /nfs/dbraw/zinc/81/53/44/792815344.db2.gz DBBBRWJDUSLCMJ-CYBMUJFWSA-N 1 0 305.378 2.124 50 0 DEAARO COc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)cn1 ZINC001529105203 1070855750 /nfs/dbraw/zinc/85/57/50/1070855750.db2.gz YELQUPFUOURBDL-GEEKYZPCSA-N 1 0 317.433 2.281 50 0 DEAARO COc1cc(C)ccc1C[N@H+]1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529098914 1070852780 /nfs/dbraw/zinc/85/27/80/1070852780.db2.gz PJCKUDRBZYUHCB-NVXWUHKLSA-N 1 0 315.417 2.071 50 0 DEAARO CN(C)c1nccnc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC001529112280 1070865093 /nfs/dbraw/zinc/86/50/93/1070865093.db2.gz IQHFJJJADUWLGJ-UHFFFAOYSA-N 1 0 312.421 2.014 50 0 DEAARO COc1cccc(OC[C@@H]2CCC[N@H+](CCn3cnnc3)C2)c1 ZINC001529138906 1070875555 /nfs/dbraw/zinc/87/55/55/1070875555.db2.gz KANCOVRKRLKFEO-OAHLLOKOSA-N 1 0 316.405 2.078 50 0 DEAARO O[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1Cc1cnccn1 ZINC001529167740 1070898804 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CC(C)c1ccc(N2CCC(O)(C[NH+]3CCCC3)CC2)nn1 ZINC001506425847 1061968961 /nfs/dbraw/zinc/96/89/61/1061968961.db2.gz SCVODHIQDJEQEX-UHFFFAOYSA-N 1 0 304.438 2.027 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)Cc2cccs2)CC1 ZINC001506424352 1061969501 /nfs/dbraw/zinc/96/95/01/1061969501.db2.gz ZYUWVBIATSETJY-UHFFFAOYSA-N 1 0 304.419 2.393 50 0 DEAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccnc2)C1 ZINC000820390561 1090546592 /nfs/dbraw/zinc/54/65/92/1090546592.db2.gz GUHOKHVVYRRBQP-PWTCPNTCSA-N 1 0 301.434 2.419 50 0 DEAARO CC[N@H+](C)CCNC(=O)c1ccccc1NCc1cccnc1 ZINC000081781169 192322790 /nfs/dbraw/zinc/32/27/90/192322790.db2.gz WCOCKIHJFJERNV-UHFFFAOYSA-N 1 0 312.417 2.375 50 0 DEAARO CC(=O)N1CCC([N@@H+]2CCc3nc(-c4ccccc4)[nH]c3C2)CC1 ZINC000095507255 185375532 /nfs/dbraw/zinc/37/55/32/185375532.db2.gz MKBCHJDSLXICGQ-UHFFFAOYSA-N 1 0 324.428 2.446 50 0 DEAARO CN(C)c1cncc(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000095516423 185376449 /nfs/dbraw/zinc/37/64/49/185376449.db2.gz JOGZMNWIBWEVCC-UHFFFAOYSA-N 1 0 317.462 2.316 50 0 DEAARO CCC[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1[NH+](C)C ZINC000095516756 185376579 /nfs/dbraw/zinc/37/65/79/185376579.db2.gz PJUPUZLONZKKBE-HUUCEWRRSA-N 1 0 320.433 2.263 50 0 DEAARO O=C1OC2(CN1Cc1ccccc1OC(F)F)CC[NH2+]CC2 ZINC000095517643 185376806 /nfs/dbraw/zinc/37/68/06/185376806.db2.gz DSEHCDDSNRLTLG-UHFFFAOYSA-N 1 0 312.316 2.362 50 0 DEAARO Cc1cc(OC(F)F)c(C(=O)N2CC[NH2+]C(C)(C)C2)s1 ZINC000423708506 230538929 /nfs/dbraw/zinc/53/89/29/230538929.db2.gz MNFKWQPYIFRLKL-UHFFFAOYSA-N 1 0 304.362 2.482 50 0 DEAARO CCO[C@@H](C)c1nc(CSc2nc(N)cc(N)[nH+]2)cs1 ZINC000078829600 185117179 /nfs/dbraw/zinc/11/71/79/185117179.db2.gz UGSQAAWRXIKLHW-ZETCQYMHSA-N 1 0 311.436 2.487 50 0 DEAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1c([O-])cc(F)cc1F ZINC000088463237 185251819 /nfs/dbraw/zinc/25/18/19/185251819.db2.gz LBWGDMXBEVYVAM-UHFFFAOYSA-N 1 0 324.327 2.467 50 0 DEAARO Cc1c(Br)cccc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000088441950 185250643 /nfs/dbraw/zinc/25/06/43/185250643.db2.gz CUXQHLNTATZHBG-LLVKDONJSA-N 1 0 311.223 2.487 50 0 DEAARO OCc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)o1 ZINC000088755529 185264062 /nfs/dbraw/zinc/26/40/62/185264062.db2.gz BYKROKKZBPIRSM-LLVKDONJSA-N 1 0 308.328 2.419 50 0 DEAARO c1nnc2c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)nccn12 ZINC000095408827 185356657 /nfs/dbraw/zinc/35/66/57/185356657.db2.gz KGGSYBIXVBXQDV-HNNXBMFYSA-N 1 0 314.437 2.217 50 0 DEAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000095419182 185359756 /nfs/dbraw/zinc/35/97/56/185359756.db2.gz CVJHGRZGNYFSNU-UHFFFAOYSA-N 1 0 310.401 2.230 50 0 DEAARO Cc1cccc2c(NC[C@H]3CCN(S(C)(=O)=O)C3)cc[nH+]c12 ZINC000095435639 185364715 /nfs/dbraw/zinc/36/47/15/185364715.db2.gz SQAIJGZIRFSFNI-CYBMUJFWSA-N 1 0 319.430 2.237 50 0 DEAARO Cc1cc(CC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n[nH]1 ZINC000095436469 185365166 /nfs/dbraw/zinc/36/51/66/185365166.db2.gz YVOQEJLSBQZCNT-UHFFFAOYSA-N 1 0 314.433 2.287 50 0 DEAARO CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1C(C)C ZINC000077284708 539363066 /nfs/dbraw/zinc/36/30/66/539363066.db2.gz FRZMDRFWWNJYSD-HNNXBMFYSA-N 1 0 306.454 2.290 50 0 DEAARO COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3cc2CO)C1 ZINC000083902862 539391419 /nfs/dbraw/zinc/39/14/19/539391419.db2.gz IEOJOKYIRNQOQG-MRXNPFEDSA-N 1 0 315.417 2.250 50 0 DEAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3ccccn3)C2)o1 ZINC000084258883 539394418 /nfs/dbraw/zinc/39/44/18/539394418.db2.gz NZYDJXOSBJEGJL-MRXNPFEDSA-N 1 0 300.406 2.127 50 0 DEAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736339 539398145 /nfs/dbraw/zinc/39/81/45/539398145.db2.gz DSQLLZBVEGTICX-XJKSGUPXSA-N 1 0 308.422 2.145 50 0 DEAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000084736196 539398393 /nfs/dbraw/zinc/39/83/93/539398393.db2.gz LXZYRGKRKJKJQH-ZKYQVNSYSA-N 1 0 306.410 2.066 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227187822 201797206 /nfs/dbraw/zinc/79/72/06/201797206.db2.gz FEUFKWJYMJFMGK-RYUDHWBXSA-N 1 0 316.854 2.396 50 0 DEAARO Cc1sc2ncnc(N3CCO[C@H](CC[NH+](C)C)C3)c2c1C ZINC000039360163 282491092 /nfs/dbraw/zinc/49/10/92/282491092.db2.gz VKNHOAZFQHAFKQ-CYBMUJFWSA-N 1 0 320.462 2.465 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1cc(Br)cs1 ZINC000255009754 282607085 /nfs/dbraw/zinc/60/70/85/282607085.db2.gz YQWRTZVMXVAFMV-XOULXFPDSA-N 1 0 315.236 2.474 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000083851163 192386347 /nfs/dbraw/zinc/38/63/47/192386347.db2.gz MGCBZTYZVHFPBH-KBPBESRZSA-N 1 0 305.426 2.241 50 0 DEAARO COc1ccc2cc([C@@H]3CN(C(=O)CC[NH3+])CCO3)ccc2c1 ZINC000071524016 190987237 /nfs/dbraw/zinc/98/72/37/190987237.db2.gz JNCABKDQHDWOPA-KRWDZBQOSA-N 1 0 314.385 2.097 50 0 DEAARO O=C(c1ccon1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071746738 191019256 /nfs/dbraw/zinc/01/92/56/191019256.db2.gz BRJNLPKKIOUICD-KBAYOESNSA-N 1 0 323.396 2.377 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)CCO)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071754641 191025251 /nfs/dbraw/zinc/02/52/51/191025251.db2.gz UMWHHTLNGAGJLJ-KRWDZBQOSA-N 1 0 322.424 2.267 50 0 DEAARO NC(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000071770776 191030385 /nfs/dbraw/zinc/03/03/85/191030385.db2.gz JWGCCBRKRHIHTF-UHFFFAOYSA-N 1 0 324.424 2.180 50 0 DEAARO CCn1ccnc1CN(C)C(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072126462 191043233 /nfs/dbraw/zinc/04/32/33/191043233.db2.gz NFWOEFRBRGPHSA-INIZCTEOSA-N 1 0 312.417 2.252 50 0 DEAARO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)[nH]n1 ZINC000072133168 191045530 /nfs/dbraw/zinc/04/55/30/191045530.db2.gz ZYUQQJXHYZSFSZ-QGZVFWFLSA-N 1 0 324.428 2.033 50 0 DEAARO CCc1nnc(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)s1 ZINC000072162034 191062335 /nfs/dbraw/zinc/06/23/35/191062335.db2.gz BVXRZMQSHHKISG-NSHDSACASA-N 1 0 316.430 2.107 50 0 DEAARO CCOc1ccc(CN2CCCn3cncc3C2)cc1CO ZINC000072168427 191066588 /nfs/dbraw/zinc/06/65/88/191066588.db2.gz LWHGPVWNBSFCJC-UHFFFAOYSA-N 1 0 301.390 2.180 50 0 DEAARO CCc1cc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)nc(N2CCCC2)[nH+]1 ZINC000072174070 191069941 /nfs/dbraw/zinc/06/99/41/191069941.db2.gz VBBIUDJSVKYPFJ-SYMSYNOKSA-N 1 0 314.433 2.253 50 0 DEAARO C[NH2+]C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000084748030 192465762 /nfs/dbraw/zinc/46/57/62/192465762.db2.gz NCXFTSMJJUYMOO-UHFFFAOYSA-N 1 0 311.223 2.202 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)n(C)n1 ZINC000072296424 191112024 /nfs/dbraw/zinc/11/20/24/191112024.db2.gz GVEDPRXCZXVJAL-MRXNPFEDSA-N 1 0 315.421 2.357 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)[C@@H]2CCCO[C@H]21 ZINC000253370163 186301013 /nfs/dbraw/zinc/30/10/13/186301013.db2.gz NBXUJPPVBRTLII-QMCVQRASSA-N 1 0 323.408 2.359 50 0 DEAARO CCn1cc(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cn1 ZINC000253394598 186304499 /nfs/dbraw/zinc/30/44/99/186304499.db2.gz NMGWKEJFRIWBPC-IRXDYDNUSA-N 1 0 303.381 2.393 50 0 DEAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072419892 191156590 /nfs/dbraw/zinc/15/65/90/191156590.db2.gz LKPIAYQAMFUPGQ-MRXNPFEDSA-N 1 0 317.481 2.390 50 0 DEAARO c1cc(CNc2ncnc3c2CC[NH2+]CC3)cc(N2CCCC2)c1 ZINC000072421169 191157886 /nfs/dbraw/zinc/15/78/86/191157886.db2.gz JTHLWJOCRCRKMS-UHFFFAOYSA-N 1 0 323.444 2.377 50 0 DEAARO Cc1nc2c(s1)CCC[C@H]2Nc1ncnc2c1CC[NH2+]CC2 ZINC000072431885 191164372 /nfs/dbraw/zinc/16/43/72/191164372.db2.gz QKVCYPHKSREJEW-CYBMUJFWSA-N 1 0 315.446 2.419 50 0 DEAARO Cc1cccc(-c2nc(CNC[C@@]3(O)CCC[NH2+]C3)cs2)c1 ZINC000072448240 191169812 /nfs/dbraw/zinc/16/98/12/191169812.db2.gz FSTHOVLLSGCFFU-QGZVFWFLSA-N 1 0 317.458 2.323 50 0 DEAARO CCn1cc(SCC(=O)N[C@H]2CC[C@H]2[NH3+])c2ccccc21 ZINC000072457281 191173379 /nfs/dbraw/zinc/17/33/79/191173379.db2.gz CFZAFXURWJRCQG-OLZOCXBDSA-N 1 0 303.431 2.359 50 0 DEAARO Cc1cc2nc(C)cc(N[C@H]3COC[C@@H]3[NH+]3CCCCC3)n2n1 ZINC000072469869 191174975 /nfs/dbraw/zinc/17/49/75/191174975.db2.gz JFASCGDPVIULID-GJZGRUSLSA-N 1 0 315.421 2.011 50 0 DEAARO CC(=O)c1cccc(CN2CCC([NH+]3CCC(O)CC3)CC2)c1 ZINC000072481544 191181070 /nfs/dbraw/zinc/18/10/70/191181070.db2.gz SXSLYVJEHUSGGW-UHFFFAOYSA-N 1 0 316.445 2.310 50 0 DEAARO CCC[C@H](C)[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000072659310 191210280 /nfs/dbraw/zinc/21/02/80/191210280.db2.gz VQTQUDOXLOSNAI-ZDUSSCGKSA-N 1 0 308.422 2.488 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000000455071 180796402 /nfs/dbraw/zinc/79/64/02/180796402.db2.gz POSNGDLBTYORSA-UHFFFAOYSA-N 1 0 323.824 2.174 50 0 DEAARO O=S1(=O)C[C@H](Nc2ccccc2)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000004058402 181068128 /nfs/dbraw/zinc/06/81/28/181068128.db2.gz QSGJWXJYQPHOAM-SJORKVTESA-N 1 0 316.426 2.054 50 0 DEAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1 ZINC000004725474 181143277 /nfs/dbraw/zinc/14/32/77/181143277.db2.gz IOGZQULRPNVQTF-UHFFFAOYSA-N 1 0 320.433 2.440 50 0 DEAARO C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000074098091 355005217 /nfs/dbraw/zinc/00/52/17/355005217.db2.gz VXYXPTDQZKJCEB-BPLDGKMQSA-N 1 0 323.462 2.014 50 0 DEAARO C[C@H](CCc1cccn1C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000074745486 355046846 /nfs/dbraw/zinc/04/68/46/355046846.db2.gz OZTZLDJOKNJIJC-NVXWUHKLSA-N 1 0 318.465 2.226 50 0 DEAARO COC(=O)CCCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000075105387 355068993 /nfs/dbraw/zinc/06/89/93/355068993.db2.gz WGFINCSJPSRXGT-UHFFFAOYSA-N 1 0 304.434 2.190 50 0 DEAARO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCc3nncn3C2)s1 ZINC000075605498 355095840 /nfs/dbraw/zinc/09/58/40/355095840.db2.gz BWHFLEDXJVYZRD-NSHDSACASA-N 1 0 305.451 2.384 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H](C)CC[S@](C)=O ZINC000079073412 355294711 /nfs/dbraw/zinc/29/47/11/355294711.db2.gz AHRDAUQYBOKLLA-GIGQVBGESA-N 1 0 305.875 2.444 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000084736190 355485481 /nfs/dbraw/zinc/48/54/81/355485481.db2.gz VBQPMKVHVFXMFV-YUTCNCBUSA-N 1 0 308.426 2.312 50 0 DEAARO C[C@H](COc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000097230778 355703058 /nfs/dbraw/zinc/70/30/58/355703058.db2.gz CTNSFKGWXASQTM-UGFHNGPFSA-N 1 0 315.410 2.148 50 0 DEAARO CCO[C@@H](C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000097372877 355704118 /nfs/dbraw/zinc/70/41/18/355704118.db2.gz WUYCLUFDKLGWFV-ZDUSSCGKSA-N 1 0 320.433 2.179 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCOC1 ZINC000110612777 355743103 /nfs/dbraw/zinc/74/31/03/355743103.db2.gz ZCAVCVKHYBJBQU-RDJZCZTQSA-N 1 0 302.418 2.146 50 0 DEAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000005165014 181212350 /nfs/dbraw/zinc/21/23/50/181212350.db2.gz NBYZXJNMGRLEDE-MRXNPFEDSA-N 1 0 316.401 2.349 50 0 DEAARO C[C@@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129678320 355835911 /nfs/dbraw/zinc/83/59/11/355835911.db2.gz NTINXDJBAPXIJE-KBPBESRZSA-N 1 0 323.412 2.186 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000130250288 355839747 /nfs/dbraw/zinc/83/97/47/355839747.db2.gz YLOBIKUHNXKPIA-AWEZNQCLSA-N 1 0 312.417 2.328 50 0 DEAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000005446130 181244180 /nfs/dbraw/zinc/24/41/80/181244180.db2.gz DYXZVYXAGUALPC-LBPRGKRZSA-N 1 0 302.296 2.413 50 0 DEAARO Cc1noc([C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C(C)C)n1 ZINC000187168202 356213240 /nfs/dbraw/zinc/21/32/40/356213240.db2.gz YEYIYMJLWISHTD-CYBMUJFWSA-N 1 0 323.441 2.201 50 0 DEAARO O[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCSC2)N(Cc2ccccc2)C1 ZINC000195558717 356257087 /nfs/dbraw/zinc/25/70/87/356257087.db2.gz WJPJSWDUIBNVOU-IXDOHACOSA-N 1 0 306.475 2.107 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([C@@H]2CCCO2)n1 ZINC000195572387 356258963 /nfs/dbraw/zinc/25/89/63/356258963.db2.gz AGGDQZIVVFGNDL-UPJWGTAASA-N 1 0 309.435 2.128 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000237110952 202157801 /nfs/dbraw/zinc/15/78/01/202157801.db2.gz AGVCBUXHGLHHMG-JQWIXIFHSA-N 1 0 314.788 2.457 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000237145097 202165961 /nfs/dbraw/zinc/16/59/61/202165961.db2.gz SIKGLZWEBTXOHJ-AWEZNQCLSA-N 1 0 318.808 2.350 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000237175021 202177475 /nfs/dbraw/zinc/17/74/75/202177475.db2.gz XCEGTTWPUHVIQC-YPMHNXCESA-N 1 0 310.825 2.477 50 0 DEAARO CC[NH+](CC)CC1(n2cnc3ccc(OC)cc3c2=O)CC1 ZINC000584889292 357325860 /nfs/dbraw/zinc/32/58/60/357325860.db2.gz INWKSXMQGCUZNG-UHFFFAOYSA-N 1 0 301.390 2.236 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]CCCn2nc(C)c(C)c2C)C1 ZINC000584893557 357328213 /nfs/dbraw/zinc/32/82/13/357328213.db2.gz CUHUYZCABKWLEK-HNNXBMFYSA-N 1 0 308.426 2.019 50 0 DEAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccn(C(F)F)n1 ZINC000584901342 357330916 /nfs/dbraw/zinc/33/09/16/357330916.db2.gz QVQNRXPWUYRFDL-UHFFFAOYSA-N 1 0 300.353 2.225 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000584900441 357330945 /nfs/dbraw/zinc/33/09/45/357330945.db2.gz IFLNZVXNCULDGX-GFCCVEGCSA-N 1 0 302.344 2.330 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc3c(c2)OCCO3)N1 ZINC000018053402 283270799 /nfs/dbraw/zinc/27/07/99/283270799.db2.gz JGYRSIHGVJTIHC-OAHLLOKOSA-N 1 0 321.340 2.304 50 0 DEAARO CCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)cc1OC ZINC000089267907 192754250 /nfs/dbraw/zinc/75/42/50/192754250.db2.gz HLPSUGLHAXYIBX-CJNGLKHVSA-N 1 0 320.433 2.440 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000237641981 202316126 /nfs/dbraw/zinc/31/61/26/202316126.db2.gz VSJHTOPRGOZUMM-UXLLHSPISA-N 1 0 302.418 2.412 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CC[NH2+]1 ZINC000237661048 202321211 /nfs/dbraw/zinc/32/12/11/202321211.db2.gz AYQWPCKJJJUQKN-GFCCVEGCSA-N 1 0 306.381 2.186 50 0 DEAARO O=C(c1cccnc1Nc1cccc(F)c1)N1CCC[NH2+]CC1 ZINC000237772301 202351387 /nfs/dbraw/zinc/35/13/87/202351387.db2.gz RBAUKICBQVSWQR-UHFFFAOYSA-N 1 0 314.364 2.400 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000237927815 202392576 /nfs/dbraw/zinc/39/25/76/202392576.db2.gz IXKKMXPSSLAZFJ-CYBMUJFWSA-N 1 0 308.809 2.319 50 0 DEAARO O=C(C[C@@H](c1ccccc1)c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000005947781 181300231 /nfs/dbraw/zinc/30/02/31/181300231.db2.gz MNQZIWMRVSWHEN-SFHVURJKSA-N 1 0 310.397 2.346 50 0 DEAARO CC(C)C[N@@H+]1CCN(C2Cc3ccccc3C2)C[C@@H]1CCO ZINC000670444298 540933941 /nfs/dbraw/zinc/93/39/41/540933941.db2.gz NNBCSXZFIJNKPO-SFHVURJKSA-N 1 0 302.462 2.178 50 0 DEAARO O=C(CCc1cn[nH]c1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670448440 540935144 /nfs/dbraw/zinc/93/51/44/540935144.db2.gz JZGRPLJKTZCYTR-AWEZNQCLSA-N 1 0 318.446 2.185 50 0 DEAARO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000195450927 201390323 /nfs/dbraw/zinc/39/03/23/201390323.db2.gz DYGXMCQQTFVMIC-UHFFFAOYSA-N 1 0 316.854 2.020 50 0 DEAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000006649958 181365254 /nfs/dbraw/zinc/36/52/54/181365254.db2.gz BWRRMRDTWHDSFT-UHFFFAOYSA-N 1 0 322.833 2.489 50 0 DEAARO O=C(NCC[C@@H]1CCc2ccccc2N1)[C@@H]1CCn2ccnc2C1 ZINC000623180265 364908505 /nfs/dbraw/zinc/90/85/05/364908505.db2.gz XVEHFIPSPKJHHG-CVEARBPZSA-N 1 0 324.428 2.379 50 0 DEAARO CCc1[nH+]c(N)nc(N2CCC(O)(c3ccccc3)CC2)c1C ZINC000091288704 193032216 /nfs/dbraw/zinc/03/22/16/193032216.db2.gz XYAUOBPZIAQGPI-UHFFFAOYSA-N 1 0 312.417 2.418 50 0 DEAARO COC[C@]1(O)CC[N@H+](Cc2cccc(OC)c2OC)CC1(C)C ZINC000091426069 193054316 /nfs/dbraw/zinc/05/43/16/193054316.db2.gz UXFBOKKMHIPRNH-GOSISDBHSA-N 1 0 323.433 2.313 50 0 DEAARO Cc1ccc([C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H]2[NH3+])o1 ZINC000091518633 193068202 /nfs/dbraw/zinc/06/82/02/193068202.db2.gz PLAAAAVEQAKHLY-GJZGRUSLSA-N 1 0 317.389 2.079 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1csc(C(C)=O)c1)C2 ZINC000091526329 193069886 /nfs/dbraw/zinc/06/98/86/193069886.db2.gz XAXDJGKMURPNPT-GOEBONIOSA-N 1 0 322.474 2.493 50 0 DEAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000091550448 193072427 /nfs/dbraw/zinc/07/24/27/193072427.db2.gz RBQBZJQMQODQPF-KBPBESRZSA-N 1 0 317.408 2.452 50 0 DEAARO COc1ccc(C2(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)CC2)cc1 ZINC000091876495 193122189 /nfs/dbraw/zinc/12/21/89/193122189.db2.gz CIEKURJKLWEHAK-GOEBONIOSA-N 1 0 314.429 2.279 50 0 DEAARO CC[C@@]1(CO)CCC[N@H+](CCCOc2ccc(C(N)=O)cc2)C1 ZINC000091943462 193129907 /nfs/dbraw/zinc/12/99/07/193129907.db2.gz FAKUJUDEVANOKW-GOSISDBHSA-N 1 0 320.433 2.039 50 0 DEAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2cn(CCO)nc2C)C1 ZINC000092036954 193144132 /nfs/dbraw/zinc/14/41/32/193144132.db2.gz SYYIUYCCECUUDG-SFHVURJKSA-N 1 0 321.465 2.115 50 0 DEAARO CCC(CC)(CCO)[NH2+][C@H]1CCN(c2ccccc2OC)C1=O ZINC000282448251 217002917 /nfs/dbraw/zinc/00/29/17/217002917.db2.gz LQTPGHXNERKXJL-AWEZNQCLSA-N 1 0 320.433 2.331 50 0 DEAARO CC1=C2C[C@@H]3[C@H](C[NH2+]CCCO)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865032 181804658 /nfs/dbraw/zinc/80/46/58/181804658.db2.gz VJGNKICNSMDWIQ-CXHZTBPHSA-N 1 0 307.434 2.417 50 0 biogenic DEAARO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000016684936 182057534 /nfs/dbraw/zinc/05/75/34/182057534.db2.gz XXXMXPAMCQPJRL-AWEZNQCLSA-N 1 0 320.433 2.094 50 0 DEAARO CC(C)(O)c1cn(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)nn1 ZINC000019218301 182108280 /nfs/dbraw/zinc/10/82/80/182108280.db2.gz NKJJBMQVYHVFPE-ZDUSSCGKSA-N 1 0 304.394 2.011 50 0 DEAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(=O)[nH]n1 ZINC000019642138 182134555 /nfs/dbraw/zinc/13/45/55/182134555.db2.gz NPQHQRXPGKMVLO-ZDUSSCGKSA-N 1 0 318.421 2.099 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000019781862 182148326 /nfs/dbraw/zinc/14/83/26/182148326.db2.gz SENHSIZFHQXDGW-OAHLLOKOSA-N 1 0 312.841 2.026 50 0 DEAARO CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2OC)CC[N@@H+]1C ZINC000020204609 182197671 /nfs/dbraw/zinc/19/76/71/182197671.db2.gz VIGYCYCEEXAUBN-CQSZACIVSA-N 1 0 308.422 2.238 50 0 DEAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NC[C@@H]1CCCOC1 ZINC000020515794 182226423 /nfs/dbraw/zinc/22/64/23/182226423.db2.gz NTEFYDFXRQQYBZ-WMZOPIPTSA-N 1 0 316.445 2.409 50 0 DEAARO COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c1 ZINC000020515279 182226721 /nfs/dbraw/zinc/22/67/21/182226721.db2.gz GOTYPAFUEJZXTK-OAHLLOKOSA-N 1 0 304.390 2.030 50 0 DEAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NC1CC1 ZINC000020533978 182228276 /nfs/dbraw/zinc/22/82/76/182228276.db2.gz BSZWISFUVOVFSK-UHFFFAOYSA-N 1 0 323.440 2.236 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CCOC2)c(F)c1 ZINC000020781059 182246739 /nfs/dbraw/zinc/24/67/39/182246739.db2.gz LPMDXUREAWQCHD-GFCCVEGCSA-N 1 0 305.353 2.445 50 0 DEAARO CCCc1cn(C[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC000020868548 182250800 /nfs/dbraw/zinc/25/08/00/182250800.db2.gz CPIUFHFMBFEJIO-OAHLLOKOSA-N 1 0 314.437 2.241 50 0 DEAARO CN(C)[C@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccco1 ZINC000022038355 182305665 /nfs/dbraw/zinc/30/56/65/182305665.db2.gz GMEFUNVJRSNEIS-MRXNPFEDSA-N 1 0 313.401 2.061 50 0 DEAARO CC(C)(C)OC(=O)N1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000022913563 182340260 /nfs/dbraw/zinc/34/02/60/182340260.db2.gz NOVUBWBKZLPMFG-HNNXBMFYSA-N 1 0 305.422 2.239 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000022922979 182340780 /nfs/dbraw/zinc/34/07/80/182340780.db2.gz WEZUQMVTROZEDN-KRWDZBQOSA-N 1 0 320.477 2.361 50 0 DEAARO CC(C)[C@@H](CNC(=O)Nc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000022932047 182342283 /nfs/dbraw/zinc/34/22/83/182342283.db2.gz UWQKCGMUYPBJGE-MRXNPFEDSA-N 1 0 322.428 2.219 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)CCc2ccccc2)CC1 ZINC000023127928 182349549 /nfs/dbraw/zinc/34/95/49/182349549.db2.gz ILRTXACOAGRRLP-UHFFFAOYSA-N 1 0 304.434 2.094 50 0 DEAARO Cc1[nH]c([C@H]2CC(=O)N(CC[NH+](C)C)C2)nc1-c1ccccc1 ZINC000023542957 182363209 /nfs/dbraw/zinc/36/32/09/182363209.db2.gz LFPGFODMRFDUFF-HNNXBMFYSA-N 1 0 312.417 2.263 50 0 DEAARO Cc1nn(C)c(C)c1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000032703877 182655847 /nfs/dbraw/zinc/65/58/47/182655847.db2.gz QZNJWHQAYUGXKO-UHFFFAOYSA-N 1 0 320.481 2.350 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(Br)c1 ZINC000042200307 183241684 /nfs/dbraw/zinc/24/16/84/183241684.db2.gz ZCASORRGQJQDQG-GFCCVEGCSA-N 1 0 312.211 2.058 50 0 DEAARO O=C(/C=C\c1ccccc1OC(F)(F)F)N1CCC[NH2+]CC1 ZINC000493775275 249396472 /nfs/dbraw/zinc/39/64/72/249396472.db2.gz HPEXTHJYAWMNGQ-SREVYHEPSA-N 1 0 314.307 2.420 50 0 DEAARO CNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2C(C)C)cc1 ZINC000042902420 183317845 /nfs/dbraw/zinc/31/78/45/183317845.db2.gz NCOZJMVJDLBJSS-UHFFFAOYSA-N 1 0 300.406 2.193 50 0 DEAARO Ic1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042782907 183309134 /nfs/dbraw/zinc/30/91/34/183309134.db2.gz HJYWQAGUADLUAS-SECBINFHSA-N 1 0 303.143 2.422 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000104450207 194007530 /nfs/dbraw/zinc/00/75/30/194007530.db2.gz PIVWLJSMYWMCTF-QGZVFWFLSA-N 1 0 306.450 2.220 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2ccc(F)cc2F)C[C@H]1CCO ZINC000104450695 194008198 /nfs/dbraw/zinc/00/81/98/194008198.db2.gz KSZHNLJUJVSPSJ-MRXNPFEDSA-N 1 0 312.404 2.489 50 0 DEAARO O=C(c1cnc(C2CC2)nc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000097173204 296282794 /nfs/dbraw/zinc/28/27/94/296282794.db2.gz KNXMXEXKNAKEGS-HNNXBMFYSA-N 1 0 300.406 2.054 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)/C=C\c2cnn(C)c2)C1 ZINC000106529470 194225217 /nfs/dbraw/zinc/22/52/17/194225217.db2.gz YTDLXCNHLWQMEE-YOVCOIKASA-N 1 0 318.465 2.306 50 0 DEAARO CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000106535233 194226909 /nfs/dbraw/zinc/22/69/09/194226909.db2.gz RWDHNBWOWYEVCT-IRXDYDNUSA-N 1 0 317.433 2.081 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000053202054 183892286 /nfs/dbraw/zinc/89/22/86/183892286.db2.gz BIOGVACBTIVNPU-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO CC[NH+](CC)CCN(C)C(=O)CC(=O)Nc1ccc(C)cc1C ZINC000055393594 183984688 /nfs/dbraw/zinc/98/46/88/183984688.db2.gz XNLMSCJYZZJJKE-UHFFFAOYSA-N 1 0 319.449 2.432 50 0 DEAARO CCc1nnsc1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000058179651 184085195 /nfs/dbraw/zinc/08/51/95/184085195.db2.gz BTMPLRWNZGYXCV-UHFFFAOYSA-N 1 0 318.446 2.482 50 0 DEAARO Cc1noc2ncc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc12 ZINC000058378480 184110314 /nfs/dbraw/zinc/11/03/14/184110314.db2.gz MWPUNJQCUXURMZ-AWEZNQCLSA-N 1 0 314.389 2.232 50 0 DEAARO CN(C)[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccco1 ZINC000058245500 184094501 /nfs/dbraw/zinc/09/45/01/184094501.db2.gz ULBVEISVEOKJRS-OAHLLOKOSA-N 1 0 315.421 2.062 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000058331281 184106839 /nfs/dbraw/zinc/10/68/39/184106839.db2.gz XELONFLGZYXIHL-GJZGRUSLSA-N 1 0 322.416 2.461 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)COc1ccc(F)cc1 ZINC000058421765 184116206 /nfs/dbraw/zinc/11/62/06/184116206.db2.gz RZFFZMYBPXYSGS-LBPRGKRZSA-N 1 0 320.412 2.491 50 0 DEAARO CCN(Cc1nc(Cc2ccccc2)no1)C[C@@H](C)C(=O)OC ZINC000058431084 184117967 /nfs/dbraw/zinc/11/79/67/184117967.db2.gz LCYUDGSRALDUIB-CYBMUJFWSA-N 1 0 317.389 2.291 50 0 DEAARO COc1c(CNCc2ccc(C[NH+](C)C)cc2)c(C)nn1C ZINC000058433959 184118557 /nfs/dbraw/zinc/11/85/57/184118557.db2.gz RPRBMBMPYYNIPV-UHFFFAOYSA-N 1 0 302.422 2.089 50 0 DEAARO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccc2cnccc21 ZINC000059510434 184139086 /nfs/dbraw/zinc/13/90/86/184139086.db2.gz CYFIUPHXLRDBFV-CYBMUJFWSA-N 1 0 307.419 2.031 50 0 DEAARO c1ccc(Cn2c(CN3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC000061968127 184198811 /nfs/dbraw/zinc/19/88/11/184198811.db2.gz IGDUBNHMHQRSQT-UHFFFAOYSA-N 1 0 306.413 2.490 50 0 DEAARO CCCc1ccc([C@@H](C)NC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000065394940 184334497 /nfs/dbraw/zinc/33/44/97/184334497.db2.gz VONRMRGWICDGGP-OAHLLOKOSA-N 1 0 303.450 2.112 50 0 DEAARO Cc1cc(C)n(-c2ccnc(NCC[NH+]3CCCCC3)n2)n1 ZINC000065240351 184317395 /nfs/dbraw/zinc/31/73/95/184317395.db2.gz MVZPNISGAYHINC-UHFFFAOYSA-N 1 0 300.410 2.177 50 0 DEAARO CCc1ccccc1-n1cc(C2=CC[N@H+](CCC(N)=O)CC2)cn1 ZINC000065372290 184330016 /nfs/dbraw/zinc/33/00/16/184330016.db2.gz LUPAKYFZFHUAPP-UHFFFAOYSA-N 1 0 324.428 2.399 50 0 DEAARO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCCO1 ZINC000065449795 184345995 /nfs/dbraw/zinc/34/59/95/184345995.db2.gz VSSOBIJGPGEGEH-RWMBFGLXSA-N 1 0 311.451 2.218 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCSc1nc[nH]n1)CC2 ZINC000065462850 184348965 /nfs/dbraw/zinc/34/89/65/184348965.db2.gz RRCFKJRGLIQZTL-ZDUSSCGKSA-N 1 0 304.419 2.053 50 0 DEAARO Cc1ccc(Cl)cc1-n1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](C)C1 ZINC000065525751 184359386 /nfs/dbraw/zinc/35/93/86/184359386.db2.gz XTDCXUVJRUPTFO-LLVKDONJSA-N 1 0 306.797 2.332 50 0 DEAARO O=C(Cc1csc(-c2ccco2)n1)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000065606490 184371727 /nfs/dbraw/zinc/37/17/27/184371727.db2.gz IDHADDFJKXMWJK-QWHCGFSZSA-N 1 0 317.414 2.299 50 0 DEAARO Cc1noc([C@H](C)N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000065610637 184372981 /nfs/dbraw/zinc/37/29/81/184372981.db2.gz OJLKIQWBJGKQJV-LBPRGKRZSA-N 1 0 306.435 2.361 50 0 DEAARO Cc1ccc(F)c(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000066074676 184387252 /nfs/dbraw/zinc/38/72/52/184387252.db2.gz WPRSSGWCSNEVRJ-AWEZNQCLSA-N 1 0 320.408 2.459 50 0 DEAARO C[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)[C@@H]1C[NH3+] ZINC000237409611 296370245 /nfs/dbraw/zinc/37/02/45/296370245.db2.gz GHYUISVSQACBHV-KBRIMQKVSA-N 1 0 302.418 2.276 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1 ZINC000158910967 197310739 /nfs/dbraw/zinc/31/07/39/197310739.db2.gz JTFVIVZGYPMIBV-HNNXBMFYSA-N 1 0 304.434 2.474 50 0 DEAARO CCc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cnn1Cc1ccccc1 ZINC000158211986 197253474 /nfs/dbraw/zinc/25/34/74/197253474.db2.gz IJTCWGPFEOFVBK-OAHLLOKOSA-N 1 0 312.417 2.057 50 0 DEAARO C[C@](O)(C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000156961799 197152574 /nfs/dbraw/zinc/15/25/74/197152574.db2.gz IULGABFOACSPFW-INIZCTEOSA-N 1 0 309.381 2.309 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000131733215 291908924 /nfs/dbraw/zinc/90/89/24/291908924.db2.gz VYOILTIPZJEJAF-JQWIXIFHSA-N 1 0 302.827 2.149 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000237920084 257237719 /nfs/dbraw/zinc/23/77/19/257237719.db2.gz BTTLQJCDLUWYHI-NSHDSACASA-N 1 0 303.189 2.322 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000237591037 257238831 /nfs/dbraw/zinc/23/88/31/257238831.db2.gz SQPLIOVJFSDUSX-DZGCQCFKSA-N 1 0 318.417 2.119 50 0 DEAARO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000521396267 257240219 /nfs/dbraw/zinc/24/02/19/257240219.db2.gz FUQPCHIUHLIOHR-SJORKVTESA-N 1 0 302.418 2.405 50 0 DEAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000071841807 184865952 /nfs/dbraw/zinc/86/59/52/184865952.db2.gz JKLZUGMAIWJRCD-UHFFFAOYSA-N 1 0 318.465 2.342 50 0 DEAARO CCc1noc2ncc(C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])cc12 ZINC000121785295 195347478 /nfs/dbraw/zinc/34/74/78/195347478.db2.gz UEQJDYFNMMAMPF-IINYFYTJSA-N 1 0 302.378 2.127 50 0 DEAARO COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000299739830 533528594 /nfs/dbraw/zinc/52/85/94/533528594.db2.gz RTDKYUIJNIHSFE-CKEIUWERSA-N 1 0 320.433 2.186 50 0 DEAARO Cc1n[nH]cc1C1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000376475782 133296150 /nfs/dbraw/zinc/29/61/50/133296150.db2.gz WAOLGZNWTBTODP-UHFFFAOYSA-N 1 0 312.421 2.492 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000131754089 292114645 /nfs/dbraw/zinc/11/46/45/292114645.db2.gz KOCMLGRMDCPZRR-JQWIXIFHSA-N 1 0 302.827 2.149 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000075110558 401749226 /nfs/dbraw/zinc/74/92/26/401749226.db2.gz NIPYOIWEYTUUDB-NWDGAFQWSA-N 1 0 312.410 2.038 50 0 DEAARO O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCC[NH+]1CCCCC1 ZINC000000117646 401688220 /nfs/dbraw/zinc/68/82/20/401688220.db2.gz MCJUKPTXPPKVLZ-KGLIPLIRSA-N 1 0 310.825 2.380 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1cccc(F)c1 ZINC000071876385 401691138 /nfs/dbraw/zinc/69/11/38/401691138.db2.gz DOKLGYYDYBRYGY-CVEARBPZSA-N 1 0 304.369 2.005 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000071880527 401691807 /nfs/dbraw/zinc/69/18/07/401691807.db2.gz PYONVGDAGYNYTG-OLZOCXBDSA-N 1 0 308.344 2.041 50 0 DEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000000287612 401693494 /nfs/dbraw/zinc/69/34/94/401693494.db2.gz UBXPJRHCRDOSSN-UHFFFAOYSA-N 1 0 309.782 2.025 50 0 DEAARO CC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c1C ZINC000000389149 401696232 /nfs/dbraw/zinc/69/62/32/401696232.db2.gz BQIPXWYNLPYNHW-HNNXBMFYSA-N 1 0 309.406 2.275 50 0 fda DEAARO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071914927 401696755 /nfs/dbraw/zinc/69/67/55/401696755.db2.gz QBXPOMIWPRXXHL-ZBFHGGJFSA-N 1 0 320.408 2.252 50 0 DEAARO Cc1n[nH]cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000071922252 401697863 /nfs/dbraw/zinc/69/78/63/401697863.db2.gz YRINQMNXRLSREN-HNNXBMFYSA-N 1 0 301.394 2.451 50 0 DEAARO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000071922381 401697946 /nfs/dbraw/zinc/69/79/46/401697946.db2.gz MJTOQOKVUNZWFM-RKDXNWHRSA-N 1 0 314.315 2.038 50 0 DEAARO O=C(c1ccon1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072072804 401702671 /nfs/dbraw/zinc/70/26/71/401702671.db2.gz PJTXZWOJRGQDMA-UHFFFAOYSA-N 1 0 313.401 2.455 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)NCCc2ccsc2)c1 ZINC000072269824 401704801 /nfs/dbraw/zinc/70/48/01/401704801.db2.gz FEIVGFANEWZJRP-UONOGXRCSA-N 1 0 320.462 2.151 50 0 DEAARO Nc1nc2c(c(NC3CC3)n1)CC[N@H+](Cc1cccs1)CC2 ZINC000072406915 401709751 /nfs/dbraw/zinc/70/97/51/401709751.db2.gz RZMKRDCMFKGZOQ-UHFFFAOYSA-N 1 0 315.446 2.295 50 0 DEAARO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000013145870 401796987 /nfs/dbraw/zinc/79/69/87/401796987.db2.gz CUXCKSIMWNVHKG-MAZHCROVSA-N 1 0 313.825 2.235 50 0 DEAARO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccs1 ZINC000014169644 401808467 /nfs/dbraw/zinc/80/84/67/401808467.db2.gz ACTIJGNWLHOUOP-LBPRGKRZSA-N 1 0 317.414 2.425 50 0 DEAARO COc1ccc(C[NH+]2CCC(N3CCN(C)C3=O)CC2)cc1F ZINC000075131400 401751224 /nfs/dbraw/zinc/75/12/24/401751224.db2.gz PDRNLHQNIZBFGW-UHFFFAOYSA-N 1 0 321.396 2.166 50 0 DEAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000008326651 401751866 /nfs/dbraw/zinc/75/18/66/401751866.db2.gz QTNWOEOVNFMBEW-VIFPVBQESA-N 1 0 300.786 2.101 50 0 DEAARO COc1ccc(-c2nc(CC(=O)NCC[NH+](C)C)cs2)cc1 ZINC000008327657 401752005 /nfs/dbraw/zinc/75/20/05/401752005.db2.gz VRFAJIKRMYSYSZ-UHFFFAOYSA-N 1 0 319.430 2.039 50 0 DEAARO COc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008844736 401757057 /nfs/dbraw/zinc/75/70/57/401757057.db2.gz BQBXOFYYXLPQMK-QGZVFWFLSA-N 1 0 313.397 2.493 50 0 DEAARO CN1CCN(C2CC[NH+](CCOc3ccccc3F)CC2)C1=O ZINC000075604010 401764451 /nfs/dbraw/zinc/76/44/51/401764451.db2.gz SCXIOGIVTQSYKG-UHFFFAOYSA-N 1 0 321.396 2.036 50 0 DEAARO COCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000011762081 401776326 /nfs/dbraw/zinc/77/63/26/401776326.db2.gz GCQGGIHATFBFQU-QGZVFWFLSA-N 1 0 304.434 2.046 50 0 DEAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000076022039 401777790 /nfs/dbraw/zinc/77/77/90/401777790.db2.gz RZMKZQHZXVDDCL-OLZOCXBDSA-N 1 0 322.453 2.098 50 0 DEAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1cnccn1 ZINC000011954974 401778182 /nfs/dbraw/zinc/77/81/82/401778182.db2.gz AMWNWHRYVHTPKX-KRWDZBQOSA-N 1 0 324.428 2.304 50 0 DEAARO COc1ccc(OCC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000011916186 401778268 /nfs/dbraw/zinc/77/82/68/401778268.db2.gz CDMHTNUKBSDDJH-UHFFFAOYSA-N 1 0 320.433 2.455 50 0 DEAARO COCCN1CC[N@H+](C/C(C)=C/c2ccccc2)CCC1=O ZINC000012053254 401778657 /nfs/dbraw/zinc/77/86/57/401778657.db2.gz YFJIHUSRWTYELD-JQIJEIRASA-N 1 0 302.418 2.271 50 0 DEAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](CCO)C1 ZINC000012075589 401778900 /nfs/dbraw/zinc/77/89/00/401778900.db2.gz RTPQLNSIQOZCPZ-SFHVURJKSA-N 1 0 321.417 2.093 50 0 DEAARO CCCc1nnc([C@@H]2CN(CC[NH2+]C3CCCCC3)CCO2)[nH]1 ZINC000076049586 401779066 /nfs/dbraw/zinc/77/90/66/401779066.db2.gz BGFRGEBHWLAFLL-HNNXBMFYSA-N 1 0 321.469 2.053 50 0 DEAARO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)C1CC1 ZINC000012197111 401780987 /nfs/dbraw/zinc/78/09/87/401780987.db2.gz AHBBEBRKQAZBKZ-CQSZACIVSA-N 1 0 302.374 2.078 50 0 DEAARO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)C1CC1 ZINC000012197117 401781427 /nfs/dbraw/zinc/78/14/27/401781427.db2.gz AHBBEBRKQAZBKZ-AWEZNQCLSA-N 1 0 302.374 2.078 50 0 DEAARO COc1ccc(OC)c(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000012420217 401785690 /nfs/dbraw/zinc/78/56/90/401785690.db2.gz QTRBPWTVSGDPMB-ZBFHGGJFSA-N 1 0 323.433 2.313 50 0 DEAARO CC(C)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000012689990 401790212 /nfs/dbraw/zinc/79/02/12/401790212.db2.gz PDOCOKNUBPUSJQ-DZGCQCFKSA-N 1 0 317.433 2.334 50 0 DEAARO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(C)cc2C)CC1 ZINC000015308913 401816863 /nfs/dbraw/zinc/81/68/63/401816863.db2.gz SOMFTXHSOYLLJJ-UHFFFAOYSA-N 1 0 317.477 2.336 50 0 DEAARO CCOC(=O)c1cnc2ccc(F)cc2c1N1CC[NH+](C)CC1 ZINC000019897371 401822905 /nfs/dbraw/zinc/82/29/05/401822905.db2.gz UFFYTYLJIVBZEV-UHFFFAOYSA-N 1 0 317.364 2.302 50 0 DEAARO Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H](C)[NH+](C)C)c12 ZINC000025149158 401831466 /nfs/dbraw/zinc/83/14/66/401831466.db2.gz FBXCMYQPBVEGBH-SECBINFHSA-N 1 0 302.378 2.089 50 0 DEAARO c1nnc2c(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nccn12 ZINC000077898048 401835932 /nfs/dbraw/zinc/83/59/32/401835932.db2.gz IVRIURXYLMTWCD-OAHLLOKOSA-N 1 0 308.389 2.201 50 0 DEAARO Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025815231 401837471 /nfs/dbraw/zinc/83/74/71/401837471.db2.gz LJISKRAMWBRRKT-OAHLLOKOSA-N 1 0 320.462 2.060 50 0 DEAARO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)[NH+](C)C ZINC000026857003 401842057 /nfs/dbraw/zinc/84/20/57/401842057.db2.gz UWVDMFNSYQBXJC-QMMMGPOBSA-N 1 0 311.234 2.222 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)N1CCc2ccccc21 ZINC000027014464 401843509 /nfs/dbraw/zinc/84/35/09/401843509.db2.gz YDOZOOHBSMWARS-KBXCAEBGSA-N 1 0 309.413 2.254 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCC(O)CC2)c2ccc(F)cc12 ZINC000028297177 401851532 /nfs/dbraw/zinc/85/15/32/401851532.db2.gz XAPWPPQSCQLIDG-INIZCTEOSA-N 1 0 320.408 2.215 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCS(C)(=O)=O ZINC000077371929 401813020 /nfs/dbraw/zinc/81/30/20/401813020.db2.gz XBRKIMFZODNAAE-INIZCTEOSA-N 1 0 324.490 2.018 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cccc(-n2cccn2)c1 ZINC000077385117 401813231 /nfs/dbraw/zinc/81/32/31/401813231.db2.gz 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C[C@H]1C[NH+](CCCNC(=O)c2cc3c(s2)CCC3)C[C@H](C)O1 ZINC000047681698 401987384 /nfs/dbraw/zinc/98/73/84/401987384.db2.gz YSHPNXRYLOIHAS-STQMWFEESA-N 1 0 322.474 2.466 50 0 DEAARO CC(=O)Nc1cccc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000089265557 401940637 /nfs/dbraw/zinc/94/06/37/401940637.db2.gz PDJANTUIIHSZME-UHFFFAOYSA-N 1 0 310.401 2.362 50 0 DEAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000044502224 401944190 /nfs/dbraw/zinc/94/41/90/401944190.db2.gz QMZSSSXTBMTYIO-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1)C2 ZINC000095369860 402028968 /nfs/dbraw/zinc/02/89/68/402028968.db2.gz LTWRBVNZBGVNHI-TZMCWYRMSA-N 1 0 324.371 2.148 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000095381923 402030468 /nfs/dbraw/zinc/03/04/68/402030468.db2.gz UWUUBIDTNUDBMT-MRXNPFEDSA-N 1 0 320.481 2.299 50 0 DEAARO Cc1ccc([C@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000095388327 402031743 /nfs/dbraw/zinc/03/17/43/402031743.db2.gz 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Cc1noc2nc(C)cc(C(=O)N3CC[NH+](CC4CC4)CC3)c12 ZINC000055672747 402085556 /nfs/dbraw/zinc/08/55/56/402085556.db2.gz MWRMQQWHDPIIPJ-UHFFFAOYSA-N 1 0 314.389 2.007 50 0 DEAARO C[C@H](Cn1cncn1)[NH2+][C@@H](C)Cc1nc2ccccc2s1 ZINC000096476761 402093411 /nfs/dbraw/zinc/09/34/11/402093411.db2.gz BJZUJFNVFBGQSE-NWDGAFQWSA-N 1 0 301.419 2.497 50 0 DEAARO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096474905 402093420 /nfs/dbraw/zinc/09/34/20/402093420.db2.gz IJCLQIGYTURSIS-GXTWGEPZSA-N 1 0 308.809 2.414 50 0 DEAARO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000058209691 402099002 /nfs/dbraw/zinc/09/90/02/402099002.db2.gz JUAAMOIEKHZJIT-GJZGRUSLSA-N 1 0 303.406 2.230 50 0 DEAARO CC1(C)[C@H]([NH2+]CCC(=O)NCc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000097034485 402100760 /nfs/dbraw/zinc/10/07/60/402100760.db2.gz ZIKOPPXTJFXIEV-NXHRZFHOSA-N 1 0 316.445 2.486 50 0 DEAARO CC(C)Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(=O)[nH]1 ZINC000097045173 402102048 /nfs/dbraw/zinc/10/20/48/402102048.db2.gz BKTHABGTNZLDKY-XJKSGUPXSA-N 1 0 319.449 2.128 50 0 DEAARO FC(F)(F)c1ccccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097088436 402106029 /nfs/dbraw/zinc/10/60/29/402106029.db2.gz FCGDCVZJUJCPES-AWEZNQCLSA-N 1 0 313.367 2.185 50 0 DEAARO Cc1cnc([C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000097110243 402108788 /nfs/dbraw/zinc/10/87/88/402108788.db2.gz FXALFNHBFRTDIY-AAEUAGOBSA-N 1 0 310.467 2.196 50 0 DEAARO CC[C@H]1Oc2ccc(C(C)=O)cc2N(CCC[NH+](C)C)C1=O ZINC000061997434 402108872 /nfs/dbraw/zinc/10/88/72/402108872.db2.gz AWIVIQQWZRJVEV-OAHLLOKOSA-N 1 0 304.390 2.345 50 0 DEAARO CN(C)c1cc[nH+]cc1CNc1ccc(NS(C)(=O)=O)cc1 ZINC000097115690 402109890 /nfs/dbraw/zinc/10/98/90/402109890.db2.gz HLBKAHLSDZGGFO-UHFFFAOYSA-N 1 0 320.418 2.131 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000097160004 402112484 /nfs/dbraw/zinc/11/24/84/402112484.db2.gz SZVMYWKQCWVBBN-GDBMZVCRSA-N 1 0 303.406 2.255 50 0 DEAARO O[C@@H](CNCc1c[nH]nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000097197314 402114437 /nfs/dbraw/zinc/11/44/37/402114437.db2.gz GNIKLNCRNCBRKC-AWEZNQCLSA-N 1 0 320.462 2.075 50 0 DEAARO C[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000097234206 402119303 /nfs/dbraw/zinc/11/93/03/402119303.db2.gz YHIZYRFWZCMAJC-SFYZADRCSA-N 1 0 307.341 2.215 50 0 DEAARO C=Cc1ccc(NC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000096164763 402064054 /nfs/dbraw/zinc/06/40/54/402064054.db2.gz KXPPLOYZVJHBTK-HOTGVXAUSA-N 1 0 301.390 2.002 50 0 DEAARO Cc1ccc(C)c(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000054372522 402067372 /nfs/dbraw/zinc/06/73/72/402067372.db2.gz RHWBCTHLOYZOHM-MRXNPFEDSA-N 1 0 315.461 2.088 50 0 DEAARO CCOCc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)ccc1OC ZINC000097674455 402129919 /nfs/dbraw/zinc/12/99/19/402129919.db2.gz ZQIGHHFZZSHBDF-RDJZCZTQSA-N 1 0 304.434 2.416 50 0 DEAARO CC1CC[NH+](C[C@@H](O)CNc2nccc(C(F)(F)F)n2)CC1 ZINC000067373331 402157815 /nfs/dbraw/zinc/15/78/15/402157815.db2.gz DMKQGHSBAXOWDE-NSHDSACASA-N 1 0 318.343 2.000 50 0 DEAARO COC(=O)N1CCC([NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000067254816 402155209 /nfs/dbraw/zinc/15/52/09/402155209.db2.gz RVJGMMNDXPILTG-UHFFFAOYSA-N 1 0 308.378 2.024 50 0 DEAARO CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000067920161 402178786 /nfs/dbraw/zinc/17/87/86/402178786.db2.gz QOJGLDWRVPRABR-SFHVURJKSA-N 1 0 315.417 2.089 50 0 DEAARO CCc1ccccc1C[N@@H+]1CC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000067947563 402179711 /nfs/dbraw/zinc/17/97/11/402179711.db2.gz ULCNAFCKMWIIHC-OAHLLOKOSA-N 1 0 324.490 2.399 50 0 DEAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccnc3)cnn2c1 ZINC000067947200 402179775 /nfs/dbraw/zinc/17/97/75/402179775.db2.gz ZIXFEFDKUYRSHH-UHFFFAOYSA-N 1 0 324.388 2.218 50 0 DEAARO Cc1cccc2c(C[N@@H+]3CC[C@H](CNC(=O)CO)C3)cccc12 ZINC000067975010 402181725 /nfs/dbraw/zinc/18/17/25/402181725.db2.gz NDBKGBPRODSWSB-OAHLLOKOSA-N 1 0 312.413 2.079 50 0 DEAARO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000153969907 402184459 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C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000121971823 424854095 /nfs/dbraw/zinc/85/40/95/424854095.db2.gz BDNSASWESJMYBW-MLGOLLRUSA-N 1 0 316.380 2.353 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000121971334 424854201 /nfs/dbraw/zinc/85/42/01/424854201.db2.gz BDNSASWESJMYBW-LRDDRELGSA-N 1 0 316.380 2.353 50 0 DEAARO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 ZINC000108361658 424851112 /nfs/dbraw/zinc/85/11/12/424851112.db2.gz NIHLRDJQLMTERH-IIDMSEBBSA-N 1 0 315.417 2.020 50 0 DEAARO CONC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000108145212 424851130 /nfs/dbraw/zinc/85/11/30/424851130.db2.gz XMVQSWQSUBKVTH-ZWNOBZJWSA-N 1 0 315.776 2.333 50 0 DEAARO CN1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397844153 269107627 /nfs/dbraw/zinc/10/76/27/269107627.db2.gz RLJOLAGJZITCRO-UONOGXRCSA-N 1 0 311.470 2.362 50 0 DEAARO COC(=O)CCCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000097102288 277315295 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CCS[C@@H]1CCCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000089275180 280042847 /nfs/dbraw/zinc/04/28/47/280042847.db2.gz AMMDBBNRGYZRIE-CQSZACIVSA-N 1 0 305.509 2.419 50 0 DEAARO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 ZINC000090591495 281359170 /nfs/dbraw/zinc/35/91/70/281359170.db2.gz AULWJRZDRPHQQV-MNOVXSKESA-N 1 0 322.371 2.475 50 0 DEAARO Cc1nc2c(c(N3CC=CC3)n1)CC[N@H+](Cc1ccco1)CC2 ZINC000102855940 282009172 /nfs/dbraw/zinc/00/91/72/282009172.db2.gz GXDFDUQNTBHAKT-UHFFFAOYSA-N 1 0 310.401 2.355 50 0 DEAARO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000106918494 289506087 /nfs/dbraw/zinc/50/60/87/289506087.db2.gz BZULBLVMDUINRW-UXLLHSPISA-N 1 0 324.490 2.267 50 0 DEAARO NC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000240668088 295077675 /nfs/dbraw/zinc/07/76/75/295077675.db2.gz HMGQEVPWWCQOBY-KBMXLJTQSA-N 1 0 315.417 2.435 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061884058 303407355 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CCn1nccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000534584900 334291438 /nfs/dbraw/zinc/29/14/38/334291438.db2.gz LIRLYXNSGTULOW-SJLPKXTDSA-N 1 0 313.401 2.460 50 0 DEAARO CC1CC[NH+](Cc2ccc(C(=O)NCCc3ncc[nH]3)o2)CC1 ZINC000534587170 334292334 /nfs/dbraw/zinc/29/23/34/334292334.db2.gz ZXMNPURGBANUTH-UHFFFAOYSA-N 1 0 316.405 2.207 50 0 DEAARO Cc1ccc(CC2([NH2+][C@@H](C)CNS(=O)(=O)C3CC3)CC2)cc1 ZINC000534661859 334322077 /nfs/dbraw/zinc/32/20/77/334322077.db2.gz FHBXKEFJPPZJDS-AWEZNQCLSA-N 1 0 322.474 2.130 50 0 DEAARO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccnc2)[C@H](C)C1 ZINC000096406790 337381832 /nfs/dbraw/zinc/38/18/32/337381832.db2.gz XUEGWRGFOKLEME-GDBMZVCRSA-N 1 0 320.437 2.340 50 0 DEAARO CCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000097230746 337382392 /nfs/dbraw/zinc/38/23/92/337382392.db2.gz SDAMPEIBEDAORX-OAHLLOKOSA-N 1 0 311.447 2.451 50 0 DEAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(F)c1 ZINC000097230793 337382474 /nfs/dbraw/zinc/38/24/74/337382474.db2.gz LEQUADHUIOQRMY-INIZCTEOSA-N 1 0 308.397 2.361 50 0 DEAARO CCCn1ncnc1[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000426544641 528902817 /nfs/dbraw/zinc/90/28/17/528902817.db2.gz CSIAFYJRQBLDLY-ZDUSSCGKSA-N 1 0 315.421 2.241 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2ccc(Cl)s2)CCOCC1 ZINC000219503272 563719835 /nfs/dbraw/zinc/71/98/35/563719835.db2.gz UVFINKMKCBGGQS-UHFFFAOYSA-N 1 0 302.827 2.242 50 0 DEAARO COCCC1([NH+](C)C)CCN(C(=O)Cc2ccccc2)CC1 ZINC000257184441 625225823 /nfs/dbraw/zinc/22/58/23/625225823.db2.gz IOVGGVQMHBPIOC-UHFFFAOYSA-N 1 0 304.434 2.188 50 0 DEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000066948713 634888741 /nfs/dbraw/zinc/88/87/41/634888741.db2.gz DPSSVDPQLXZTCD-QGZVFWFLSA-N 1 0 316.445 2.497 50 0 DEAARO CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)Cn2cc(C)cn2)CC1 ZINC000888094059 635496122 /nfs/dbraw/zinc/49/61/22/635496122.db2.gz ZWGMYRLTPDNHAH-OAHLLOKOSA-N 1 0 321.469 2.096 50 0 DEAARO CCNC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011667808 635647175 /nfs/dbraw/zinc/64/71/75/635647175.db2.gz FDRKZGRNORZLCY-QGZVFWFLSA-N 1 0 316.449 2.345 50 0 DEAARO Cc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c2ccccc2n1 ZINC000173940310 646785671 /nfs/dbraw/zinc/78/56/71/646785671.db2.gz MABKZMBKNUAMDN-KRWDZBQOSA-N 1 0 311.429 2.450 50 0 DEAARO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccnn1C ZINC000192779826 684457087 /nfs/dbraw/zinc/45/70/87/684457087.db2.gz PWPHDPGUFZPIBK-AWEZNQCLSA-N 1 0 302.422 2.211 50 0 DEAARO O=c1nc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)[nH]1 ZINC000887268369 692318195 /nfs/dbraw/zinc/31/81/95/692318195.db2.gz JQHUJOVVGLZAJD-JYAVWHMHSA-N 1 0 316.792 2.378 50 0 DEAARO CC(C)C[N@H+]1CCc2c(C(N)=O)nc(-c3ccccc3)n2CC1 ZINC000675019476 778335883 /nfs/dbraw/zinc/33/58/83/778335883.db2.gz JONPMMXBYMWSMP-UHFFFAOYSA-N 1 0 312.417 2.163 50 0 DEAARO O=C(Cc1ccsc1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581788020 784776496 /nfs/dbraw/zinc/77/64/96/784776496.db2.gz OOJFOMPYQQHZBW-OAHLLOKOSA-N 1 0 322.474 2.252 50 0 DEAARO CC(C)C[N@H+](C1CN(Cc2ccncc2)C1)C1CCOCC1 ZINC000581794377 784782833 /nfs/dbraw/zinc/78/28/33/784782833.db2.gz CHDHQTDNKNUFNF-UHFFFAOYSA-N 1 0 303.450 2.403 50 0 DEAARO CCn1ccc(C(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3C)C2)n1 ZINC000581808352 784785938 /nfs/dbraw/zinc/78/59/38/784785938.db2.gz RYRLYPZDGRCCRZ-OAHLLOKOSA-N 1 0 315.421 2.269 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000581807715 784786017 /nfs/dbraw/zinc/78/60/17/784786017.db2.gz MMDWSPMNUADLMJ-ZDUSSCGKSA-N 1 0 300.362 2.453 50 0 DEAARO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000585083592 789681254 /nfs/dbraw/zinc/68/12/54/789681254.db2.gz JOYIPNLRCIQSKS-LLVKDONJSA-N 1 0 310.394 2.221 50 0 DEAARO CN(C)c1nc(Cl)c(CN2CCC[C@H]([NH+](C)C)C2)s1 ZINC000952963351 792809845 /nfs/dbraw/zinc/80/98/45/792809845.db2.gz HVQOBEMTAOURRY-JTQLQIEISA-N 1 0 302.875 2.389 50 0 DEAARO COc1cccc(OCc2nc(CC[NH3+])n(C(C)(C)C)n2)c1 ZINC000952975725 792837393 /nfs/dbraw/zinc/83/73/93/792837393.db2.gz GFQWRNLKHOESCS-UHFFFAOYSA-N 1 0 304.394 2.122 50 0 DEAARO CC(C)[C@@H](NC(=O)CN(C)Cc1cccnc1)c1cccnc1 ZINC000952985654 792864501 /nfs/dbraw/zinc/86/45/01/792864501.db2.gz GHVVAEGBYKKQIL-GOSISDBHSA-N 1 0 312.417 2.422 50 0 DEAARO OC[C@@H]1CCCN(CC[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000952986297 792866505 /nfs/dbraw/zinc/86/65/05/792866505.db2.gz GQCAXMOCAVINIA-CYBMUJFWSA-N 1 0 316.367 2.499 50 0 DEAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000405218751 802044634 /nfs/dbraw/zinc/04/46/34/802044634.db2.gz LNSXFBSFLRMHGC-UONOGXRCSA-N 1 0 320.437 2.309 50 0 DEAARO CSc1nc(NC2CCN(C(=O)CC(C)C)CC2)cc(N)[nH+]1 ZINC001529173576 1070902011 /nfs/dbraw/zinc/90/20/11/1070902011.db2.gz MLBBFWXOOBOIPP-UHFFFAOYSA-N 1 0 323.466 2.230 50 0 DEAARO Oc1cccc(N2CC[NH+](C3CSCCSC3)CC2)c1 ZINC001506397909 1061933912 /nfs/dbraw/zinc/93/39/12/1061933912.db2.gz ZBBRLMAOLMLXRT-UHFFFAOYSA-N 1 0 310.488 2.363 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCN(c3ncccc3C)CC2)n1 ZINC001506396011 1061934007 /nfs/dbraw/zinc/93/40/07/1061934007.db2.gz DOBWDYLTMCZPEN-KRWDZBQOSA-N 1 0 313.449 2.414 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C2CCN(C(=O)C3CCC3)CC2)C1 ZINC001506404349 1061948874 /nfs/dbraw/zinc/94/88/74/1061948874.db2.gz ZWKVWQKDKOPCQL-OAHLLOKOSA-N 1 0 319.493 2.336 50 0 DEAARO c1cnc(OC2CC[NH+](C3CSCCSC3)CC2)nc1 ZINC001506415620 1061961225 /nfs/dbraw/zinc/96/12/25/1061961225.db2.gz ZQFCOTFAWRDFJX-UHFFFAOYSA-N 1 0 311.476 2.168 50 0 DEAARO Oc1cccc([C@@H](O)C[NH2+]C2CCN(Cc3ccco3)CC2)c1 ZINC001506429544 1061976806 /nfs/dbraw/zinc/97/68/06/1061976806.db2.gz UISNNHKXMHPUMM-SFHVURJKSA-N 1 0 316.401 2.273 50 0 DEAARO Cc1cc2cc(NC(=O)CN3CCC[N@@H+](C)CC3)ccc2o1 ZINC000823778392 1090697422 /nfs/dbraw/zinc/69/74/22/1090697422.db2.gz SZUARLBLUDHPFH-UHFFFAOYSA-N 1 0 301.390 2.317 50 0 DEAARO C[C@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076980849 185063268 /nfs/dbraw/zinc/06/32/68/185063268.db2.gz MHAGFMMWLNMGBY-UKRRQHHQSA-N 1 0 302.422 2.268 50 0 DEAARO C[C@H](O)c1cccc(N2CCC[N@H+](Cc3cccnc3)CC2)n1 ZINC000095523459 185377860 /nfs/dbraw/zinc/37/78/60/185377860.db2.gz RGYAWYIZUQGFNH-HNNXBMFYSA-N 1 0 312.417 2.242 50 0 DEAARO O=C(NCC[NH+]1CCCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000095527708 185378464 /nfs/dbraw/zinc/37/84/64/185378464.db2.gz SDIBIKVRMBXTHW-UHFFFAOYSA-N 1 0 316.405 2.031 50 0 DEAARO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCC(=O)NC(N)=O ZINC000078988397 185141229 /nfs/dbraw/zinc/14/12/29/185141229.db2.gz OZBPLIUIDPOLDW-WDEREUQCSA-N 1 0 311.813 2.349 50 0 DEAARO Cn1cc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cn1 ZINC000078989945 185141586 /nfs/dbraw/zinc/14/15/86/185141586.db2.gz GIBDMJHESPUUIX-UHFFFAOYSA-N 1 0 300.193 2.324 50 0 DEAARO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000089977201 185273208 /nfs/dbraw/zinc/27/32/08/185273208.db2.gz DYQDOENPORHUIU-LLVKDONJSA-N 1 0 311.376 2.366 50 0 DEAARO CCC[N@@H+]1CCCN(c2ncccc2-c2nc(C)no2)CC1 ZINC000089959080 185271643 /nfs/dbraw/zinc/27/16/43/185271643.db2.gz ZNARGWOKBOCPCU-UHFFFAOYSA-N 1 0 301.394 2.362 50 0 DEAARO Cc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000082098151 192355091 /nfs/dbraw/zinc/35/50/91/192355091.db2.gz FNTJUMZOPVNWLX-UHFFFAOYSA-N 1 0 311.410 2.460 50 0 DEAARO Cc1cccc(C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000082137046 192360632 /nfs/dbraw/zinc/36/06/32/192360632.db2.gz DUODOFSVAQYSCH-UHFFFAOYSA-N 1 0 310.401 2.446 50 0 DEAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000095407288 185356195 /nfs/dbraw/zinc/35/61/95/185356195.db2.gz CLPBCURHUPKUCS-GJZGRUSLSA-N 1 0 303.406 2.077 50 0 DEAARO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCCC[NH+]1CCOCC1 ZINC000095411128 185357419 /nfs/dbraw/zinc/35/74/19/185357419.db2.gz KDMLLBSJAVCLIS-ZACQAIPSSA-N 1 0 323.481 2.461 50 0 DEAARO CCc1nc(C)sc1CNC(=O)c1cccc(OCC[NH3+])c1 ZINC000426490356 529730643 /nfs/dbraw/zinc/73/06/43/529730643.db2.gz SNJLPFVWKILIRI-UHFFFAOYSA-N 1 0 319.430 2.281 50 0 DEAARO CC[C@H](C(=O)N[C@H](C)c1ccccc1N1CCOCC1)[NH+](C)C ZINC000095450485 185368986 /nfs/dbraw/zinc/36/89/86/185368986.db2.gz HNCNIYNHULJZBC-GDBMZVCRSA-N 1 0 319.449 2.041 50 0 DEAARO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1 ZINC000095469053 185372511 /nfs/dbraw/zinc/37/25/11/185372511.db2.gz NYMIVXOJHPSKTM-CYBMUJFWSA-N 1 0 319.430 2.183 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](Cc2cc3cc(C)ccc3o2)CC1 ZINC000097032775 185399745 /nfs/dbraw/zinc/39/97/45/185399745.db2.gz IJOWQYPQTKHRRI-QGZVFWFLSA-N 1 0 317.385 2.487 50 0 DEAARO CC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[N@@H+]1C(C)C ZINC000077284705 539363416 /nfs/dbraw/zinc/36/34/16/539363416.db2.gz FRZMDRFWWNJYSD-OAHLLOKOSA-N 1 0 306.454 2.290 50 0 DEAARO CC1(C)C(=O)N(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1(C)C ZINC000083630587 539389590 /nfs/dbraw/zinc/38/95/90/539389590.db2.gz FEERUGBGKOAKOK-OAHLLOKOSA-N 1 0 324.465 2.251 50 0 DEAARO OCC1([NH2+]CCCO[C@H]2CCCCO2)Cc2ccccc2C1 ZINC000225770693 201744591 /nfs/dbraw/zinc/74/45/91/201744591.db2.gz JYHSPLDVAGZSCO-KRWDZBQOSA-N 1 0 305.418 2.039 50 0 DEAARO CCc1nc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)cs1 ZINC000083830332 539390865 /nfs/dbraw/zinc/39/08/65/539390865.db2.gz FAUATVHWJQUYLQ-XHDPSFHLSA-N 1 0 306.435 2.306 50 0 DEAARO CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000299739270 530003598 /nfs/dbraw/zinc/00/35/98/530003598.db2.gz MRORVIVJCJKUJF-CYBMUJFWSA-N 1 0 320.286 2.245 50 0 DEAARO O=C(C[C@@H]1CCCO1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000084374401 539395114 /nfs/dbraw/zinc/39/51/14/539395114.db2.gz DGNWVCQMBBQOKS-KRWDZBQOSA-N 1 0 318.417 2.151 50 0 DEAARO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)NCC1CC1 ZINC000176288171 539626966 /nfs/dbraw/zinc/62/69/66/539626966.db2.gz HBRQEWOQNMWWDD-MRXNPFEDSA-N 1 0 301.434 2.243 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000255048454 282610589 /nfs/dbraw/zinc/61/05/89/282610589.db2.gz GWICUYWGBLPYCG-CXOKCQFOSA-N 1 0 323.396 2.233 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000071143208 190936003 /nfs/dbraw/zinc/93/60/03/190936003.db2.gz CUPXFMSNKHNSSM-SECBINFHSA-N 1 0 315.186 2.270 50 0 DEAARO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000083888552 192389577 /nfs/dbraw/zinc/38/95/77/192389577.db2.gz IIXUUNOIYHJLBG-DOTOQJQBSA-N 1 0 324.465 2.047 50 0 DEAARO CCc1nccn1CC(=O)N1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000071746150 191019021 /nfs/dbraw/zinc/01/90/21/191019021.db2.gz RLHLENWLDMZAOV-OAHLLOKOSA-N 1 0 318.465 2.168 50 0 DEAARO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000071846639 191031652 /nfs/dbraw/zinc/03/16/52/191031652.db2.gz ZHRXRBODTRQMEI-UHFFFAOYSA-N 1 0 316.380 2.382 50 0 DEAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]2C[C@@H]1O ZINC000072123944 191042014 /nfs/dbraw/zinc/04/20/14/191042014.db2.gz BECTWWWQKHYPSU-KJWXAFIESA-N 1 0 324.424 2.312 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCCn1ccnc1-c1cccnc1 ZINC000072130913 191045560 /nfs/dbraw/zinc/04/55/60/191045560.db2.gz DXFOESSPRWLCGC-MRXNPFEDSA-N 1 0 300.406 2.182 50 0 DEAARO CCCc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000072153914 191058220 /nfs/dbraw/zinc/05/82/20/191058220.db2.gz NOAVGRZVVRPSRI-SFHVURJKSA-N 1 0 304.434 2.168 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000072157492 191061640 /nfs/dbraw/zinc/06/16/40/191061640.db2.gz STGMGAULHXXZFR-CQSZACIVSA-N 1 0 313.405 2.028 50 0 DEAARO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000143035227 186033496 /nfs/dbraw/zinc/03/34/96/186033496.db2.gz LOOSRKSGKTWFHP-CQSZACIVSA-N 1 0 300.406 2.391 50 0 DEAARO C[S@@](=O)CC[NH2+]Cc1ccc(OCc2cscn2)cc1 ZINC000072286922 191106600 /nfs/dbraw/zinc/10/66/00/191106600.db2.gz OSCRFPXNXFQQME-FQEVSTJZSA-N 1 0 310.444 2.190 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000237448170 186290276 /nfs/dbraw/zinc/29/02/76/186290276.db2.gz SEMCPEOVANMSSX-AAEUAGOBSA-N 1 0 316.380 2.415 50 0 DEAARO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000065501259 295836547 /nfs/dbraw/zinc/83/65/47/295836547.db2.gz WTCRKOAUNSHNON-QZTJIDSGSA-N 1 0 316.445 2.236 50 0 DEAARO Cn1c[n+](C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21 ZINC000000098638 180692020 /nfs/dbraw/zinc/69/20/20/180692020.db2.gz KSRLZNAOMZZHQH-HZPDHXFCSA-N 1 0 301.410 2.200 50 0 DEAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000072424129 191159884 /nfs/dbraw/zinc/15/98/84/191159884.db2.gz YHAWGMVCNHSCML-GXTWGEPZSA-N 1 0 308.809 2.271 50 0 DEAARO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cc(N)ncn3)C2)c1 ZINC000072430795 191163164 /nfs/dbraw/zinc/16/31/64/191163164.db2.gz AQIHQHKZZICUFQ-CQSZACIVSA-N 1 0 313.405 2.144 50 0 DEAARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3cc(N)ncn3)C2)c1 ZINC000072430794 191162232 /nfs/dbraw/zinc/16/22/32/191162232.db2.gz AQIHQHKZZICUFQ-AWEZNQCLSA-N 1 0 313.405 2.144 50 0 DEAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCn2cnnn2)cc1 ZINC000072463523 191174617 /nfs/dbraw/zinc/17/46/17/191174617.db2.gz WSBUGWSLIVOYMQ-INIZCTEOSA-N 1 0 315.421 2.256 50 0 DEAARO CCCc1noc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)n1 ZINC000299753970 539859935 /nfs/dbraw/zinc/85/99/35/539859935.db2.gz BMGNPZLGKZAJCL-YWPYICTPSA-N 1 0 319.409 2.184 50 0 DEAARO CC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000072511900 191185120 /nfs/dbraw/zinc/18/51/20/191185120.db2.gz QBPOZBYNJROAQB-YUMQZZPRSA-N 1 0 307.341 2.481 50 0 DEAARO COC(=O)c1cc[n+]2cc(-c3ccc(NC(C)=O)cc3)n(C)c2c1 ZINC000005458368 353994403 /nfs/dbraw/zinc/99/44/03/353994403.db2.gz KFRTWXJKCPDZSR-UHFFFAOYSA-O 1 0 324.360 2.176 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618260 354047608 /nfs/dbraw/zinc/04/76/08/354047608.db2.gz HDJWNPCASXEXPY-LBPRGKRZSA-N 1 0 318.446 2.345 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCCOC)CC(C)C ZINC000066984428 354742238 /nfs/dbraw/zinc/74/22/38/354742238.db2.gz XKFCQNVNDDLZEX-OAHLLOKOSA-N 1 0 301.475 2.421 50 0 DEAARO CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000072277933 354900248 /nfs/dbraw/zinc/90/02/48/354900248.db2.gz KQCVBIJRBAWNBA-ZIAGYGMSSA-N 1 0 320.437 2.383 50 0 DEAARO CC(=O)NCC1CC[NH+](C[C@@H](O)c2cc(C)ccc2C)CC1 ZINC000076082316 355124212 /nfs/dbraw/zinc/12/42/12/355124212.db2.gz QHGMFAJYPZPJBQ-GOSISDBHSA-N 1 0 304.434 2.185 50 0 DEAARO Cc1nc(NC(=O)C[NH2+][C@H](C)[C@H](C)n2cccn2)sc1C ZINC000075606744 355096204 /nfs/dbraw/zinc/09/62/04/355096204.db2.gz GOLMKYLBCXNYGN-KOLCDFICSA-N 1 0 307.423 2.134 50 0 DEAARO CSc1ccc(OCC[NH+]2CCC(NC(C)=O)CC2)cc1 ZINC000075676317 355100416 /nfs/dbraw/zinc/10/04/16/355100416.db2.gz CVBBQTYZZJROBT-UHFFFAOYSA-N 1 0 308.447 2.388 50 0 DEAARO CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000074758854 191355680 /nfs/dbraw/zinc/35/56/80/191355680.db2.gz KZIONSYMPNOCGX-JKSUJKDBSA-N 1 0 311.470 2.317 50 0 DEAARO C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CN1C1CC1 ZINC000079073662 355294931 /nfs/dbraw/zinc/29/49/31/355294931.db2.gz IPTGHYXYGVCAFM-MLGOLLRUSA-N 1 0 320.408 2.450 50 0 DEAARO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC000078892285 355282938 /nfs/dbraw/zinc/28/29/38/355282938.db2.gz GHSYZNRYRZBTDO-OAHLLOKOSA-N 1 0 305.422 2.460 50 0 DEAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000078898720 355284234 /nfs/dbraw/zinc/28/42/34/355284234.db2.gz 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CCNC(=O)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328517 181548690 /nfs/dbraw/zinc/54/86/90/181548690.db2.gz CFYIORFWSJOTBA-GHMZBOCLSA-N 1 0 311.813 2.171 50 0 DEAARO CC[NH2+]CC[C@@H]1CCC(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000012212082 181740783 /nfs/dbraw/zinc/74/07/83/181740783.db2.gz KVCMLXHWSRRRJD-HNNXBMFYSA-N 1 0 320.433 2.237 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000012382505 181754621 /nfs/dbraw/zinc/75/46/21/181754621.db2.gz IJZRJGWMNLFFEJ-UHFFFAOYSA-N 1 0 312.360 2.333 50 0 DEAARO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000161792829 197519021 /nfs/dbraw/zinc/51/90/21/197519021.db2.gz AEOHHWULIMYVRS-GFCCVEGCSA-N 1 0 317.216 2.143 50 0 DEAARO CCNC(=S)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000016315634 182040350 /nfs/dbraw/zinc/04/03/50/182040350.db2.gz SSOPXGNMKCIVQJ-HNNXBMFYSA-N 1 0 307.463 2.316 50 0 DEAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(F)c(F)cc1Cl ZINC000016383076 182042984 /nfs/dbraw/zinc/04/29/84/182042984.db2.gz TUAAHPNMAKVLSB-CYBMUJFWSA-N 1 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ULNALGYXPBPBDR-UHFFFAOYSA-N 1 0 306.450 2.419 50 0 DEAARO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000020387066 182213854 /nfs/dbraw/zinc/21/38/54/182213854.db2.gz HBWUBTOPOZBING-HNNXBMFYSA-N 1 0 301.434 2.283 50 0 DEAARO C[C@@H](O)C[NH2+]CCNCc1cccc(OCc2ccccc2)c1 ZINC000020550774 182230042 /nfs/dbraw/zinc/23/00/42/182230042.db2.gz FDEWRGGYIHQGCH-MRXNPFEDSA-N 1 0 314.429 2.326 50 0 DEAARO CCC[NH+]1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000020595146 182235737 /nfs/dbraw/zinc/23/57/37/182235737.db2.gz JUCLRJDBXOGASY-UHFFFAOYSA-N 1 0 313.804 2.445 50 0 DEAARO CCn1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(C)n1 ZINC000020782866 182246639 /nfs/dbraw/zinc/24/66/39/182246639.db2.gz HMCVYSKUWYAOMQ-KRWDZBQOSA-N 1 0 322.497 2.126 50 0 DEAARO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c1 ZINC000020780813 182247024 /nfs/dbraw/zinc/24/70/24/182247024.db2.gz AMNYXXZESIJONW-MSOLQXFVSA-N 1 0 317.477 2.461 50 0 DEAARO O=C(Nc1ccccc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023248878 182354916 /nfs/dbraw/zinc/35/49/16/182354916.db2.gz XKQWKYVCXBDQIE-UHFFFAOYSA-N 1 0 320.412 2.071 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000023127934 182349102 /nfs/dbraw/zinc/34/91/02/182349102.db2.gz WRNWZROESRKZPI-UHFFFAOYSA-N 1 0 304.434 2.392 50 0 DEAARO Cc1ncc2c(c1-c1nc([C@H]3CCC[NH2+]C3)cc(=O)[nH]1)CCC2 ZINC000023380456 182359417 /nfs/dbraw/zinc/35/94/17/182359417.db2.gz ZNYLDAYYDDCFSC-ZDUSSCGKSA-N 1 0 310.401 2.096 50 0 DEAARO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000024535713 182382648 /nfs/dbraw/zinc/38/26/48/182382648.db2.gz ZUAZUFPTKOUMFO-CQSZACIVSA-N 1 0 300.362 2.379 50 0 DEAARO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000095988211 284493935 /nfs/dbraw/zinc/49/39/35/284493935.db2.gz JFKNJCLWXUNKFM-GJZGRUSLSA-N 1 0 312.454 2.299 50 0 DEAARO CC[C@H]1CN(c2ccnc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000283703296 217726124 /nfs/dbraw/zinc/72/61/24/217726124.db2.gz CURNJPVOWCJEAW-NEPJUHHUSA-N 1 0 317.355 2.382 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccccc2SC)CC1 ZINC000038582868 183003611 /nfs/dbraw/zinc/00/36/11/183003611.db2.gz SMTHOBBXPXRAGJ-UHFFFAOYSA-N 1 0 322.474 2.497 50 0 DEAARO COc1cccc([C@@H](CNC(=O)c2scnc2C)[NH+](C)C)c1 ZINC000040533872 183094960 /nfs/dbraw/zinc/09/49/60/183094960.db2.gz UVARCUHJUBHXQM-CQSZACIVSA-N 1 0 319.430 2.493 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000040597740 183107179 /nfs/dbraw/zinc/10/71/79/183107179.db2.gz GBEMJFVCNHQYAK-GFCCVEGCSA-N 1 0 316.854 2.269 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000493452037 249297592 /nfs/dbraw/zinc/29/75/92/249297592.db2.gz LJXWBOXDAOASOL-PKYBCLHXSA-N 1 0 300.402 2.093 50 0 DEAARO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nncs1 ZINC000043130068 183339676 /nfs/dbraw/zinc/33/96/76/183339676.db2.gz GHDJDBCZARZOSO-UHFFFAOYSA-N 1 0 317.418 2.456 50 0 DEAARO Cc1nnc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000043412264 183361092 /nfs/dbraw/zinc/36/10/92/183361092.db2.gz CPBBPSOWTWBFFC-CYBMUJFWSA-N 1 0 317.418 2.243 50 0 DEAARO CCCn1cc(CN2CCC[N@H+](Cc3ccccn3)CC2)cn1 ZINC000105917787 194169713 /nfs/dbraw/zinc/16/97/13/194169713.db2.gz BPCDWORPAIYNQG-UHFFFAOYSA-N 1 0 313.449 2.396 50 0 DEAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3cnccn3)ccc21 ZINC000051434169 183827070 /nfs/dbraw/zinc/82/70/70/183827070.db2.gz CWDJZGJCYXNTOS-UHFFFAOYSA-N 1 0 309.373 2.245 50 0 DEAARO O=C(c1cncn1-c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055669183 183994679 /nfs/dbraw/zinc/99/46/79/183994679.db2.gz FVAYXNQTKWOVIC-UHFFFAOYSA-N 1 0 310.401 2.040 50 0 DEAARO NC(=O)C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000056267928 184008667 /nfs/dbraw/zinc/00/86/67/184008667.db2.gz GDYGWAFEXLKDFU-UHFFFAOYSA-N 1 0 316.323 2.325 50 0 DEAARO O=C(NCC[NH+]1CCCC1)C1(c2cccc(F)c2)CCOCC1 ZINC000057236441 184030596 /nfs/dbraw/zinc/03/05/96/184030596.db2.gz HGNRUMURDFDUTN-UHFFFAOYSA-N 1 0 320.408 2.086 50 0 DEAARO CN(CCc1ccc(F)cc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000057629620 184042671 /nfs/dbraw/zinc/04/26/71/184042671.db2.gz OZZWFBMDQZOSOL-KRWDZBQOSA-N 1 0 300.377 2.397 50 0 DEAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 ZINC000058161319 184082921 /nfs/dbraw/zinc/08/29/21/184082921.db2.gz XRCICDCEAPASEN-ZDUSSCGKSA-N 1 0 324.380 2.483 50 0 DEAARO COc1c(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)c(C)nn1C ZINC000058391214 184111255 /nfs/dbraw/zinc/11/12/55/184111255.db2.gz PBCADCJUUHGEBN-MRXNPFEDSA-N 1 0 320.412 2.269 50 0 DEAARO O=C(NCc1cc[nH]n1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058294055 184102083 /nfs/dbraw/zinc/10/20/83/184102083.db2.gz IJOAYLMOWDUPMZ-CQSZACIVSA-N 1 0 316.380 2.077 50 0 DEAARO COc1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(C)nn1C ZINC000058421072 184115859 /nfs/dbraw/zinc/11/58/59/184115859.db2.gz MZBDMRNRNVAPQU-OAHLLOKOSA-N 1 0 314.433 2.353 50 0 DEAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc2c(c1)OCCO2 ZINC000062001558 184200708 /nfs/dbraw/zinc/20/07/08/184200708.db2.gz AAOCWUAGGVVIAJ-HKUYNNGSSA-N 1 0 322.364 2.382 50 0 biogenic DEAARO CCc1ccc([C@@H](CNC(=O)c2ccnn2C)[NH+](C)C)cc1 ZINC000063501151 184283631 /nfs/dbraw/zinc/28/36/31/184283631.db2.gz WNYDGKNRINRNAQ-MRXNPFEDSA-N 1 0 300.406 2.015 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000065407658 184339226 /nfs/dbraw/zinc/33/92/26/184339226.db2.gz IPHODZDQAQZNPG-UHFFFAOYSA-N 1 0 304.369 2.083 50 0 DEAARO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000065417197 184340980 /nfs/dbraw/zinc/34/09/80/184340980.db2.gz QKBWMTSONBJZFG-QGZVFWFLSA-N 1 0 324.428 2.440 50 0 DEAARO O=C1CCC(c2ccccc2)=NN1CC[NH2+][C@H]1CCSC1 ZINC000065424898 184342829 /nfs/dbraw/zinc/34/28/29/184342829.db2.gz BPMHPDXEDMTALM-AWEZNQCLSA-N 1 0 303.431 2.108 50 0 DEAARO CCOC(=O)N1CCC(Nc2nc(N(C)C)[nH+]c(C)c2C)CC1 ZINC000065434338 184345099 /nfs/dbraw/zinc/34/50/99/184345099.db2.gz ZMTUZUPRDQVXRF-UHFFFAOYSA-N 1 0 321.425 2.192 50 0 DEAARO Cc1noc(C)c1CN(C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000065457645 184347981 /nfs/dbraw/zinc/34/79/81/184347981.db2.gz ZZWDHUWUQLSHQO-LBPRGKRZSA-N 1 0 308.426 2.307 50 0 DEAARO Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)nc(C)n1 ZINC000065397382 184336183 /nfs/dbraw/zinc/33/61/83/184336183.db2.gz QSOXCMQHMAMOKP-KRWDZBQOSA-N 1 0 324.428 2.222 50 0 DEAARO Cc1ccc(Cl)cc1-n1c(=O)[nH]nc1[C@H]1CCC[N@@H+](C)C1 ZINC000065525753 184359786 /nfs/dbraw/zinc/35/97/86/184359786.db2.gz XTDCXUVJRUPTFO-NSHDSACASA-N 1 0 306.797 2.332 50 0 DEAARO CCc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000065608813 184372658 /nfs/dbraw/zinc/37/26/58/184372658.db2.gz HYCVFFYHGDPUCN-UHFFFAOYSA-N 1 0 310.463 2.211 50 0 DEAARO CC(C)[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC(=O)N1 ZINC000065501137 184355613 /nfs/dbraw/zinc/35/56/13/184355613.db2.gz CAAJVYPODOBJEW-MRXNPFEDSA-N 1 0 312.417 2.361 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000066125089 184391151 /nfs/dbraw/zinc/39/11/51/184391151.db2.gz SMBVPMAGOMMTHR-LLVKDONJSA-N 1 0 321.450 2.004 50 0 DEAARO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000067552323 184471875 /nfs/dbraw/zinc/47/18/75/184471875.db2.gz UMBBTETTZDIDIE-HNNXBMFYSA-N 1 0 315.348 2.381 50 0 DEAARO Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000119911068 195060643 /nfs/dbraw/zinc/06/06/43/195060643.db2.gz BNLCVDVVCBMXAQ-AWEZNQCLSA-N 1 0 318.421 2.012 50 0 DEAARO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000096476485 285066395 /nfs/dbraw/zinc/06/63/95/285066395.db2.gz ZNJTUAVONWZNLS-WFASDCNBSA-N 1 0 311.472 2.041 50 0 DEAARO CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158564134 197283391 /nfs/dbraw/zinc/28/33/91/197283391.db2.gz IJBBXEXWAYUIOC-IUODEOHRSA-N 1 0 312.360 2.318 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158547140 197282533 /nfs/dbraw/zinc/28/25/33/197282533.db2.gz LJUSDCHREUTCCS-NSHDSACASA-N 1 0 302.296 2.077 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000158292848 197259570 /nfs/dbraw/zinc/25/95/70/197259570.db2.gz WCLISWISUYQUGN-JTQLQIEISA-N 1 0 315.186 2.080 50 0 DEAARO Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000156407044 197110944 /nfs/dbraw/zinc/11/09/44/197110944.db2.gz GIRCKGWFASFHOP-CABCVRRESA-N 1 0 312.417 2.380 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000156386943 197109471 /nfs/dbraw/zinc/10/94/71/197109471.db2.gz QLXUWXOGEYPEJZ-GOEBONIOSA-N 1 0 312.417 2.001 50 0 DEAARO C[C@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000155145060 197025945 /nfs/dbraw/zinc/02/59/45/197025945.db2.gz HNDLZNGGFNIDCT-JTQLQIEISA-N 1 0 305.378 2.383 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)s1 ZINC000237498275 257238670 /nfs/dbraw/zinc/23/86/70/257238670.db2.gz SYXIMZAWWGZUDC-IUCAKERBSA-N 1 0 317.252 2.391 50 0 DEAARO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000262621617 257257567 /nfs/dbraw/zinc/25/75/67/257257567.db2.gz ITXDKTFDKMDQPY-SDJAHQOYSA-N 1 0 308.809 2.142 50 0 DEAARO CC[C@@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072408222 257270738 /nfs/dbraw/zinc/27/07/38/257270738.db2.gz CAQGVWCZRIZMKO-LLVKDONJSA-N 1 0 303.435 2.372 50 0 DEAARO Fc1ccc(/C=C/C[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)c(F)c1 ZINC000685940773 542768996 /nfs/dbraw/zinc/76/89/96/542768996.db2.gz HVMFZRUFOUFGGD-WJGOZPTBSA-N 1 0 321.327 2.137 50 0 DEAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012377863 292014926 /nfs/dbraw/zinc/01/49/26/292014926.db2.gz ZXBYFFLADVVWFF-IJEWVQPXSA-N 1 0 321.417 2.191 50 0 DEAARO O=C([O-])CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000262484688 145286927 /nfs/dbraw/zinc/28/69/27/145286927.db2.gz IJIGOAXKZBCCLS-GOSISDBHSA-N 1 0 302.418 2.449 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000004998033 401727963 /nfs/dbraw/zinc/72/79/63/401727963.db2.gz HTFVFCPIJPFZMP-UHFFFAOYSA-N 1 0 318.233 2.399 50 0 DEAARO CC[NH+]1CCN(c2ncnc3c2[nH]c2cccc(OC)c23)CC1 ZINC000005218725 401728717 /nfs/dbraw/zinc/72/87/17/401728717.db2.gz ZKDGNKFUPKUXQG-UHFFFAOYSA-N 1 0 311.389 2.262 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@]2(CCc3ccccc3C2)N1 ZINC000007030648 401735760 /nfs/dbraw/zinc/73/57/60/401735760.db2.gz LSACYBMSJIKLMX-SFHVURJKSA-N 1 0 303.369 2.427 50 0 DEAARO Cn1ccnc1[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)C1CC1 ZINC000127518972 401738233 /nfs/dbraw/zinc/73/82/33/401738233.db2.gz NHKZHDZKRKEBMS-QGZVFWFLSA-N 1 0 313.401 2.475 50 0 DEAARO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386111 401739740 /nfs/dbraw/zinc/73/97/40/401739740.db2.gz YPLQOZKVKJJGQP-UPJWGTAASA-N 1 0 303.406 2.090 50 0 DEAARO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000007709785 401743728 /nfs/dbraw/zinc/74/37/28/401743728.db2.gz BXXKROFEPLICIY-UHFFFAOYSA-N 1 0 310.463 2.458 50 0 DEAARO Cn1c[n+](C[C@H](O)COC[C@@H]2CC=CCC2)c2ccccc21 ZINC000000098635 401687971 /nfs/dbraw/zinc/68/79/71/401687971.db2.gz KSRLZNAOMZZHQH-CVEARBPZSA-N 1 0 301.410 2.200 50 0 DEAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000000183102 401689501 /nfs/dbraw/zinc/68/95/01/401689501.db2.gz ZQMQHNKBBZHISC-KRWDZBQOSA-N 1 0 308.381 2.459 50 0 DEAARO C[N@H+](CCCc1nc2ccccc2o1)C[C@H]1CCS(=O)(=O)C1 ZINC000071920957 401697541 /nfs/dbraw/zinc/69/75/41/401697541.db2.gz ABHIVGUNXIHPRS-CYBMUJFWSA-N 1 0 322.430 2.127 50 0 DEAARO Cc1cnn(CC[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000072253110 401704176 /nfs/dbraw/zinc/70/41/76/401704176.db2.gz YHFLDRXITXBFSI-UHFFFAOYSA-N 1 0 312.417 2.217 50 0 DEAARO C[C@H]1CN([C@@H](C[NH2+]C2CCOCC2)c2cccs2)CCO1 ZINC000072298330 401707901 /nfs/dbraw/zinc/70/79/01/401707901.db2.gz JOFKNPRKXRAYTQ-ZFWWWQNUSA-N 1 0 310.463 2.279 50 0 DEAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000002553917 401714961 /nfs/dbraw/zinc/71/49/61/401714961.db2.gz YRJPBSFJJRQPHV-JTQLQIEISA-N 1 0 302.168 2.411 50 0 DEAARO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](O)C1 ZINC000002626135 401715968 /nfs/dbraw/zinc/71/59/68/401715968.db2.gz CTNSQDVVUQFZNO-IRXDYDNUSA-N 1 0 301.386 2.036 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013326229 401798790 /nfs/dbraw/zinc/79/87/90/401798790.db2.gz UFTWACARMIPBPD-UHFFFAOYSA-N 1 0 304.390 2.062 50 0 DEAARO C[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008718756 401755732 /nfs/dbraw/zinc/75/57/32/401755732.db2.gz ZNLNJJKKGZWARC-AWEZNQCLSA-N 1 0 308.385 2.405 50 0 DEAARO CCOc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000009422915 401762347 /nfs/dbraw/zinc/76/23/47/401762347.db2.gz QCHOFDFLQNYKLQ-UHFFFAOYSA-N 1 0 313.361 2.116 50 0 DEAARO C[NH+](C)CCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009482419 401762944 /nfs/dbraw/zinc/76/29/44/401762944.db2.gz MAYGLVZTDNMYHL-UHFFFAOYSA-N 1 0 314.414 2.378 50 0 DEAARO CCC(=O)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010451127 401770550 /nfs/dbraw/zinc/77/05/50/401770550.db2.gz IOKWUTVQVVRKBO-UHFFFAOYSA-N 1 0 305.447 2.052 50 0 DEAARO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nn1-c1ccccc1 ZINC000076022259 401777868 /nfs/dbraw/zinc/77/78/68/401777868.db2.gz AMWBUUBIKLHHRD-INIZCTEOSA-N 1 0 312.417 2.347 50 0 DEAARO COc1cccc2c1OC[C@@H]([NH2+]CCCOc1cccnc1)C2 ZINC000011938035 401778198 /nfs/dbraw/zinc/77/81/98/401778198.db2.gz JFZWWWFLXWFDNG-HNNXBMFYSA-N 1 0 314.385 2.452 50 0 DEAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011947429 401778272 /nfs/dbraw/zinc/77/82/72/401778272.db2.gz RUVHKDFSKVYCNK-IBGZPJMESA-N 1 0 316.445 2.456 50 0 DEAARO COc1ccccc1C1(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000076050838 401779193 /nfs/dbraw/zinc/77/91/93/401779193.db2.gz FNZSOHORXYKYBB-UKRRQHHQSA-N 1 0 302.418 2.135 50 0 DEAARO O=c1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)occ1O ZINC000076089870 401781894 /nfs/dbraw/zinc/78/18/94/401781894.db2.gz WGSNSQMAENBEJV-HOCLYGCPSA-N 1 0 315.369 2.434 50 0 DEAARO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)C1CC1 ZINC000076108060 401782855 /nfs/dbraw/zinc/78/28/55/401782855.db2.gz KNLZAKPDHVNUHH-IRXDYDNUSA-N 1 0 302.418 2.195 50 0 DEAARO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCS(N)(=O)=O)o1 ZINC000076145280 401784217 /nfs/dbraw/zinc/78/42/17/401784217.db2.gz VUCASPNHNDVXCU-TZMCWYRMSA-N 1 0 314.451 2.294 50 0 DEAARO COc1ccc(-c2noc(C[N@H+](C)C3CCOCC3)n2)cc1 ZINC000012387480 401784308 /nfs/dbraw/zinc/78/43/08/401784308.db2.gz MKEKGJLTDFJSEV-UHFFFAOYSA-N 1 0 303.362 2.356 50 0 DEAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019535149 401822466 /nfs/dbraw/zinc/82/24/66/401822466.db2.gz RWRZHMOUEJRKMT-XDNAFOTISA-N 1 0 312.498 2.072 50 0 DEAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019741165 401822958 /nfs/dbraw/zinc/82/29/58/401822958.db2.gz VJPVMUJGYOJTKE-QGZVFWFLSA-N 1 0 315.461 2.457 50 0 DEAARO Cc1noc(C)c1CN1c2cc([C@@H](C)[NH3+])ccc2OCC1=O ZINC000019768181 401823211 /nfs/dbraw/zinc/82/32/11/401823211.db2.gz YCJYVWBQWDJCMC-SECBINFHSA-N 1 0 301.346 2.237 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(-n2cccc2)nc1C ZINC000020865644 401825156 /nfs/dbraw/zinc/82/51/56/401825156.db2.gz DRMRXPIJUVJNBM-CYBMUJFWSA-N 1 0 318.446 2.456 50 0 DEAARO CC[NH+](CC)CCCNCC(=O)Nc1ccc2c(c1)CCC2 ZINC000025393030 401833741 /nfs/dbraw/zinc/83/37/41/401833741.db2.gz TVHHNFFWBDXLLH-UHFFFAOYSA-N 1 0 303.450 2.435 50 0 DEAARO C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1ccsc1 ZINC000026720102 401841694 /nfs/dbraw/zinc/84/16/94/401841694.db2.gz LIXUWJHIJWZXDH-AWEZNQCLSA-N 1 0 314.418 2.439 50 0 DEAARO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000026913221 401842965 /nfs/dbraw/zinc/84/29/65/401842965.db2.gz GQQIDSNXGQZKPQ-INIZCTEOSA-N 1 0 308.385 2.333 50 0 DEAARO CCCN(CC[NH+](C)C)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000078710685 401863025 /nfs/dbraw/zinc/86/30/25/401863025.db2.gz JBGGXNNIGZLJBI-UHFFFAOYSA-N 1 0 324.469 2.490 50 0 DEAARO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000078776810 401865830 /nfs/dbraw/zinc/86/58/30/401865830.db2.gz DMRUAJMTRLXRNW-QGZVFWFLSA-N 1 0 318.417 2.455 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)Cn1ccnc1)O[C@@H](C)C2 ZINC000030909790 401867168 /nfs/dbraw/zinc/86/71/68/401867168.db2.gz OGILDRROQKYULC-STQMWFEESA-N 1 0 301.390 2.393 50 0 DEAARO COc1cc(C[NH2+]Cc2ccnc(N(C)C)c2)cc(OC)c1 ZINC000030903198 401867313 /nfs/dbraw/zinc/86/73/13/401867313.db2.gz GPGOCAXUXLQFFW-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000014969989 401814375 /nfs/dbraw/zinc/81/43/75/401814375.db2.gz VULVXSZGIWOMMP-UHFFFAOYSA-N 1 0 320.433 2.147 50 0 DEAARO CC(C)CC[N@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000014992802 401814475 /nfs/dbraw/zinc/81/44/75/401814475.db2.gz OQCCKRMRECMPAY-AWEZNQCLSA-N 1 0 321.469 2.016 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000041028274 401927145 /nfs/dbraw/zinc/92/71/45/401927145.db2.gz XKECEDHUERCZGV-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO C[NH+](C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 ZINC000031931277 401875415 /nfs/dbraw/zinc/87/54/15/401875415.db2.gz HQNCTZOJPAVGJJ-ZDUSSCGKSA-N 1 0 315.398 2.054 50 0 DEAARO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000034925616 401894319 /nfs/dbraw/zinc/89/43/19/401894319.db2.gz ZSNLUBSCABOBPC-DLBZAZTESA-N 1 0 304.434 2.392 50 0 DEAARO CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCCn3ccnc32)CC1 ZINC000084140024 401902600 /nfs/dbraw/zinc/90/26/00/401902600.db2.gz JCJFQVJGXMVKBG-CQSZACIVSA-N 1 0 318.465 2.387 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000036297588 401904533 /nfs/dbraw/zinc/90/45/33/401904533.db2.gz FNPYSLCVXXGSRT-HNNXBMFYSA-N 1 0 304.415 2.282 50 0 DEAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000037782648 401916871 /nfs/dbraw/zinc/91/68/71/401916871.db2.gz ISZHMPFWJZRRCZ-LLVKDONJSA-N 1 0 304.419 2.239 50 0 DEAARO C[NH+](C)[C@@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 ZINC000040156738 401924167 /nfs/dbraw/zinc/92/41/67/401924167.db2.gz WLBAWJGXQRIBIC-KRWDZBQOSA-N 1 0 320.458 2.233 50 0 DEAARO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000089755747 401961070 /nfs/dbraw/zinc/96/10/70/401961070.db2.gz IDXCVPUGXZAXEY-CQSZACIVSA-N 1 0 301.390 2.427 50 0 DEAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccccn2)CC1 ZINC000045905666 401963469 /nfs/dbraw/zinc/96/34/69/401963469.db2.gz UVBGXVLTYVQJDC-UHFFFAOYSA-N 1 0 310.401 2.476 50 0 DEAARO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000089894160 401971459 /nfs/dbraw/zinc/97/14/59/401971459.db2.gz UCJAAJCWUBODRU-LBPRGKRZSA-N 1 0 312.435 2.294 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc(Br)c1 ZINC000089939209 401976020 /nfs/dbraw/zinc/97/60/20/401976020.db2.gz BCEYLZKFPCHQHJ-FZMZJTMJSA-N 1 0 313.239 2.118 50 0 DEAARO COCC[NH+]1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000047461660 401982208 /nfs/dbraw/zinc/98/22/08/401982208.db2.gz RFHCWNRBOLXENB-UHFFFAOYSA-N 1 0 314.429 2.483 50 0 DEAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090797318 401987477 /nfs/dbraw/zinc/98/74/77/401987477.db2.gz RQYVGAHFIUUQAZ-IJEWVQPXSA-N 1 0 322.474 2.414 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)cc(F)c1 ZINC000090799383 401987570 /nfs/dbraw/zinc/98/75/70/401987570.db2.gz XZKFNMGOBRMJQJ-IINYFYTJSA-N 1 0 318.389 2.039 50 0 DEAARO CC1CCC(O)(C[NH+]2CCN(Cc3cccnc3)CC2)CC1 ZINC000091076488 401991672 /nfs/dbraw/zinc/99/16/72/401991672.db2.gz LDIHUGDKAPKAPD-UHFFFAOYSA-N 1 0 303.450 2.140 50 0 DEAARO CC[NH+](CC)CCCNc1nccc(-c2cn(C)nc2C)n1 ZINC000048112424 401994156 /nfs/dbraw/zinc/99/41/56/401994156.db2.gz GTXLEGWIPWPLCV-UHFFFAOYSA-N 1 0 302.426 2.329 50 0 DEAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000044502198 401944008 /nfs/dbraw/zinc/94/40/08/401944008.db2.gz BGALBXYBCVFDTR-SECBINFHSA-N 1 0 323.245 2.271 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1[NH+](C)C ZINC000091663882 401996854 /nfs/dbraw/zinc/99/68/54/401996854.db2.gz NIPNYWOBVGQTKE-KOLCDFICSA-N 1 0 318.343 2.087 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H](C)O1 ZINC000044891261 401949104 /nfs/dbraw/zinc/94/91/04/401949104.db2.gz WKHLIHQYJHDRNM-UPJWGTAASA-N 1 0 311.451 2.170 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000095350746 402026296 /nfs/dbraw/zinc/02/62/96/402026296.db2.gz FRLFZBTZDWPLSD-LBPRGKRZSA-N 1 0 320.414 2.193 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cnc3ccccc3n1)C2 ZINC000095370883 402029059 /nfs/dbraw/zinc/02/90/59/402029059.db2.gz VKBTVBZIHPGJSE-HUUCEWRRSA-N 1 0 312.417 2.177 50 0 DEAARO Cc1nnc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000095371002 402029192 /nfs/dbraw/zinc/02/91/92/402029192.db2.gz YMGWCAKQTVQGKQ-CYBMUJFWSA-N 1 0 322.478 2.160 50 0 DEAARO CN(CCc1noc(C2CC2)n1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095377224 402029690 /nfs/dbraw/zinc/02/96/90/402029690.db2.gz IOOUFURKYNFGPM-CQSZACIVSA-N 1 0 320.437 2.212 50 0 DEAARO CCCc1nnc(N2CCCO[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000095378267 402030575 /nfs/dbraw/zinc/03/05/75/402030575.db2.gz MHRGFCBECVNWCK-CQSZACIVSA-N 1 0 308.426 2.103 50 0 DEAARO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000051314934 402033281 /nfs/dbraw/zinc/03/32/81/402033281.db2.gz GDRUNKXNUXVUMC-INIZCTEOSA-N 1 0 320.339 2.229 50 0 DEAARO O=C(NCCn1cccc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095503874 402033672 /nfs/dbraw/zinc/03/36/72/402033672.db2.gz RUWRZHZLSPSTQS-HNNXBMFYSA-N 1 0 301.390 2.110 50 0 DEAARO O=C1CCCc2c(OC[C@@H](O)C[NH+]3CCCCC3)cccc21 ZINC000095918191 402034396 /nfs/dbraw/zinc/03/43/96/402034396.db2.gz OKAQKLVJCXCSOA-AWEZNQCLSA-N 1 0 303.402 2.431 50 0 DEAARO c1ccc(N2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)nc1 ZINC000095949710 402036069 /nfs/dbraw/zinc/03/60/69/402036069.db2.gz ULXDKEIHTCZCGU-UHFFFAOYSA-N 1 0 317.433 2.326 50 0 DEAARO CCCO[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000095971123 402039006 /nfs/dbraw/zinc/03/90/06/402039006.db2.gz SRNOCYFMTPHHGO-IRXDYDNUSA-N 1 0 304.434 2.364 50 0 DEAARO CN(C(=O)C[NH3+])c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000095971127 402039187 /nfs/dbraw/zinc/03/91/87/402039187.db2.gz YTGGAAKOYPOLOR-LBPRGKRZSA-N 1 0 301.415 2.337 50 0 DEAARO Cn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccccn1 ZINC000095975949 402040201 /nfs/dbraw/zinc/04/02/01/402040201.db2.gz KDAJXRCQXIUREY-GFCCVEGCSA-N 1 0 303.435 2.454 50 0 DEAARO COc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000095984485 402042153 /nfs/dbraw/zinc/04/21/53/402042153.db2.gz VKWZXLRBBOVCMH-XQQFMLRXSA-N 1 0 324.396 2.121 50 0 DEAARO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)CCn1cccn1)C2 ZINC000095996922 402044798 /nfs/dbraw/zinc/04/47/98/402044798.db2.gz DXRGWUANHMGYTQ-ZFWWWQNUSA-N 1 0 301.390 2.264 50 0 DEAARO COc1cc(Br)cc(NC(=O)NCC[NH+](C)C)c1 ZINC000096000197 402045115 /nfs/dbraw/zinc/04/51/15/402045115.db2.gz LDUWPTIXNRTULT-UHFFFAOYSA-N 1 0 316.199 2.141 50 0 DEAARO COc1ccc(C2=NN(C(=[NH2+])N3CCCC3)CC2)cc1OC ZINC000096027848 402047464 /nfs/dbraw/zinc/04/74/64/402047464.db2.gz DEUXMTQTOBKVSB-UHFFFAOYSA-N 1 0 302.378 2.144 50 0 DEAARO CC[C@@H](CO)[NH+]1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000096012966 402047637 /nfs/dbraw/zinc/04/76/37/402047637.db2.gz APQCBNLRFQWCPD-NSHDSACASA-N 1 0 318.248 2.277 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3ccc(F)c(C)c3)c2N)CC1 ZINC000096282005 402076176 /nfs/dbraw/zinc/07/61/76/402076176.db2.gz HEDQHPQMRZHSLS-UHFFFAOYSA-N 1 0 315.396 2.315 50 0 DEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]c2c1CCCC2 ZINC000096343845 402077356 /nfs/dbraw/zinc/07/73/56/402077356.db2.gz OUDKAHUINJKWAO-CZUORRHYSA-N 1 0 316.449 2.283 50 0 DEAARO c1[nH]nc2ncnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c12 ZINC000096403949 402078475 /nfs/dbraw/zinc/07/84/75/402078475.db2.gz JPODWFAAPSUFHU-AWEZNQCLSA-N 1 0 314.437 2.445 50 0 DEAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccncc1 ZINC000055386164 402081145 /nfs/dbraw/zinc/08/11/45/402081145.db2.gz PDPDEFMSEJEZGM-UHFFFAOYSA-N 1 0 303.431 2.276 50 0 DEAARO CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000096432445 402085980 /nfs/dbraw/zinc/08/59/80/402085980.db2.gz YEEFDXAVUKNBLG-CRAIPNDOSA-N 1 0 316.445 2.491 50 0 DEAARO CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000096437220 402086843 /nfs/dbraw/zinc/08/68/43/402086843.db2.gz OULQMMWJXJZMFI-KBPBESRZSA-N 1 0 318.417 2.066 50 0 DEAARO O=C(NCCOCc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000096446987 402089180 /nfs/dbraw/zinc/08/91/80/402089180.db2.gz XKJAZWCPPASTPZ-IAGOWNOFSA-N 1 0 317.433 2.129 50 0 DEAARO CC[C@@H]([NH2+]Cc1ncc[nH]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000096473260 402093048 /nfs/dbraw/zinc/09/30/48/402093048.db2.gz YUQIMVQGAZKWIV-SJORKVTESA-N 1 0 314.433 2.179 50 0 DEAARO O=C(Cn1cccn1)Nc1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000096476671 402093565 /nfs/dbraw/zinc/09/35/65/402093565.db2.gz JPHGVTUCOBLREJ-HNNXBMFYSA-N 1 0 316.430 2.117 50 0 DEAARO O=C(c1cnc2ccccc2n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058328800 402099635 /nfs/dbraw/zinc/09/96/35/402099635.db2.gz XCKVFXQSGQBQMV-AWEZNQCLSA-N 1 0 310.401 2.330 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccnn1 ZINC000097142528 402110715 /nfs/dbraw/zinc/11/07/15/402110715.db2.gz AAVFIPDGAMCEIS-ZFWWWQNUSA-N 1 0 311.389 2.119 50 0 DEAARO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)Cn1cccn1 ZINC000097159971 402112737 /nfs/dbraw/zinc/11/27/37/402112737.db2.gz IRGXBVHNXNXDJG-AWEZNQCLSA-N 1 0 310.405 2.105 50 0 DEAARO CC[C@@H](CCC(C)C)[NH+]1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000063834039 402115786 /nfs/dbraw/zinc/11/57/86/402115786.db2.gz CPRWHPIKTJFFKL-AWEZNQCLSA-N 1 0 308.470 2.083 50 0 DEAARO CC(C)Cc1cc(CNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)no1 ZINC000063845688 402116524 /nfs/dbraw/zinc/11/65/24/402116524.db2.gz XMGMTCUVPOKNGC-QZTJIDSGSA-N 1 0 321.465 2.342 50 0 DEAARO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000097233637 402119111 /nfs/dbraw/zinc/11/91/11/402119111.db2.gz GELCXZNEOZPOBM-KBPBESRZSA-N 1 0 308.426 2.118 50 0 DEAARO Cc1ccc(Cl)c(NC(=O)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000096132094 402061504 /nfs/dbraw/zinc/06/15/04/402061504.db2.gz OSIOLHOBUPVNOL-GFCCVEGCSA-N 1 0 311.813 2.227 50 0 DEAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000097547694 402126917 /nfs/dbraw/zinc/12/69/17/402126917.db2.gz HHKVLBBCFIVHCT-JTQLQIEISA-N 1 0 315.776 2.179 50 0 DEAARO CCN(Cc1cc(C[NH+]2CCCCC2)cs1)[C@H]1COC[C@@H]1O ZINC000097568820 402127625 /nfs/dbraw/zinc/12/76/25/402127625.db2.gz DNDUNSCMFWRJIH-IRXDYDNUSA-N 1 0 324.490 2.316 50 0 DEAARO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccccc2C)c1 ZINC000066988939 402149306 /nfs/dbraw/zinc/14/93/06/402149306.db2.gz KDMFGAOOQXKVHK-UHFFFAOYSA-N 1 0 304.415 2.193 50 0 DEAARO [NH3+]C1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067919664 402178562 /nfs/dbraw/zinc/17/85/62/402178562.db2.gz REBVLWBBWHAILT-DLBZAZTESA-N 1 0 310.397 2.008 50 0 DEAARO C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 ZINC000068477479 402199544 /nfs/dbraw/zinc/19/95/44/402199544.db2.gz LJROJGWOVBHBGP-ZDUSSCGKSA-N 1 0 316.401 2.172 50 0 DEAARO Cc1nc(-c2cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)n(C)c2)cs1 ZINC000153637477 402159140 /nfs/dbraw/zinc/15/91/40/402159140.db2.gz LJBOBJFGJMTPPC-PHIMTYICSA-N 1 0 318.446 2.279 50 0 DEAARO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)cc1O ZINC000067490481 402161127 /nfs/dbraw/zinc/16/11/27/402161127.db2.gz CFNYIKUQRYFWOB-CQSZACIVSA-N 1 0 320.433 2.385 50 0 DEAARO CCN(CC)C(=O)c1cnn2cc(C[NH+](CC)CC)cnc12 ZINC000067490431 402161474 /nfs/dbraw/zinc/16/14/74/402161474.db2.gz PBTIOSLFAUQZEB-UHFFFAOYSA-N 1 0 303.410 2.053 50 0 DEAARO CC(C)(C(N)=O)c1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)cc1 ZINC000067587009 402163930 /nfs/dbraw/zinc/16/39/30/402163930.db2.gz GCCGXPMCUWXCLX-OAHLLOKOSA-N 1 0 310.397 2.379 50 0 DEAARO Cc1nccn1C[C@H](C)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067604829 402164098 /nfs/dbraw/zinc/16/40/98/402164098.db2.gz JFBRBUJREVSZNN-NSHDSACASA-N 1 0 314.418 2.283 50 0 DEAARO C[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@@H](C)[NH2+]1 ZINC000153706738 402164437 /nfs/dbraw/zinc/16/44/37/402164437.db2.gz QHXKXAGTFFWYFN-CHWSQXEVSA-N 1 0 312.373 2.091 50 0 DEAARO C[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@H](C)[NH2+]1 ZINC000153706514 402164566 /nfs/dbraw/zinc/16/45/66/402164566.db2.gz QHXKXAGTFFWYFN-BETUJISGSA-N 1 0 312.373 2.091 50 0 DEAARO CC(C)c1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000067691676 402167880 /nfs/dbraw/zinc/16/78/80/402167880.db2.gz MOULQOYSFRWCJZ-ZDUSSCGKSA-N 1 0 316.405 2.378 50 0 DEAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000067725457 402170528 /nfs/dbraw/zinc/17/05/28/402170528.db2.gz AFSLTRSGUALYSW-KRWDZBQOSA-N 1 0 324.428 2.086 50 0 DEAARO CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000067740196 402170541 /nfs/dbraw/zinc/17/05/41/402170541.db2.gz MDAKDFKBCFGBMI-HNNXBMFYSA-N 1 0 312.417 2.220 50 0 DEAARO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000067880551 402177465 /nfs/dbraw/zinc/17/74/65/402177465.db2.gz KLNMJMPKLDBPLD-OAHLLOKOSA-N 1 0 302.484 2.218 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCNS(C)(=O)=O)C2)cc1C ZINC000067895222 402177899 /nfs/dbraw/zinc/17/78/99/402177899.db2.gz VHBYYLIZZQCNCP-MRXNPFEDSA-N 1 0 324.490 2.455 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000069371103 402220788 /nfs/dbraw/zinc/22/07/88/402220788.db2.gz YYXCQTJIFPGWMD-VMPITWQZSA-N 1 0 320.408 2.456 50 0 DEAARO CC[C@H]1CN(CCOc2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000106906644 402222020 /nfs/dbraw/zinc/22/20/20/402222020.db2.gz APCWNYMKOGNEBH-IRXDYDNUSA-N 1 0 306.450 2.151 50 0 DEAARO CC[N@H+](C)[C@H](C(=O)NCCc1nccs1)c1ccccc1 ZINC000069418851 402222514 /nfs/dbraw/zinc/22/25/14/402222514.db2.gz NZHMCCNCYSXBFT-HNNXBMFYSA-N 1 0 303.431 2.495 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000069434375 402223835 /nfs/dbraw/zinc/22/38/35/402223835.db2.gz AMVDTIBFABUVFQ-CYBMUJFWSA-N 1 0 314.385 2.255 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000069484801 402225642 /nfs/dbraw/zinc/22/56/42/402225642.db2.gz SWQDRFROPYWUGI-NSHDSACASA-N 1 0 301.316 2.129 50 0 DEAARO CCCCn1nc(C)c(C[NH2+][C@H]2CCc3ncnn3C2)c1Cl ZINC000069490891 402226524 /nfs/dbraw/zinc/22/65/24/402226524.db2.gz IURFKCTUZPBFQK-LBPRGKRZSA-N 1 0 322.844 2.341 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000069515388 402228118 /nfs/dbraw/zinc/22/81/18/402228118.db2.gz NOZJRPQLBSBCRJ-OAHLLOKOSA-N 1 0 321.446 2.034 50 0 DEAARO c1cc2n(n1)C[C@@H](C[NH2+]C1CCN(c3ccccc3)CC1)CN2 ZINC000069521301 402228455 /nfs/dbraw/zinc/22/84/55/402228455.db2.gz SZENFIQFAISFQF-HNNXBMFYSA-N 1 0 311.433 2.183 50 0 DEAARO CCc1nnsc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000069570803 402231815 /nfs/dbraw/zinc/23/18/15/402231815.db2.gz PPHIMPDTTKQSDT-UHFFFAOYSA-N 1 0 304.419 2.309 50 0 DEAARO Cc1ccccc1OCCN1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000069624334 402235195 /nfs/dbraw/zinc/23/51/95/402235195.db2.gz IOSYSFKVBCFOKE-GOSISDBHSA-N 1 0 320.477 2.398 50 0 DEAARO CC[C@@H]1CN(CCCOc2ccccc2)CC[N@@H+]1CCOC ZINC000069840397 402246331 /nfs/dbraw/zinc/24/63/31/402246331.db2.gz GHBOSJZSTPQVJB-QGZVFWFLSA-N 1 0 306.450 2.498 50 0 DEAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCN1C[C@H](O)c1ccccc1 ZINC000069847198 402247842 /nfs/dbraw/zinc/24/78/42/402247842.db2.gz HREBOXUYUJKQMZ-NEWSRXKRSA-N 1 0 318.461 2.295 50 0 DEAARO COC(=O)CCC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000069919865 402251198 /nfs/dbraw/zinc/25/11/98/402251198.db2.gz BLFFOUYQQPZHCC-AWEZNQCLSA-N 1 0 310.438 2.101 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000069952161 402252942 /nfs/dbraw/zinc/25/29/42/402252942.db2.gz SLEVCEFHLYCABM-KBPBESRZSA-N 1 0 318.396 2.047 50 0 DEAARO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H](C)n1cccn1 ZINC000070003960 402254229 /nfs/dbraw/zinc/25/42/29/402254229.db2.gz IAIWUVIMEAHIIX-GJZGRUSLSA-N 1 0 304.438 2.429 50 0 DEAARO C[C@@H]1C[C@@H](C)CN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000070038189 402255814 /nfs/dbraw/zinc/25/58/14/402255814.db2.gz YTPHFKUXXCPBDE-HZPDHXFCSA-N 1 0 318.465 2.487 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000071143142 402270358 /nfs/dbraw/zinc/27/03/58/402270358.db2.gz SJNKOWBMPMYINW-SECBINFHSA-N 1 0 315.186 2.270 50 0 DEAARO Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc[nH+]cc2)on1 ZINC000071195711 402271534 /nfs/dbraw/zinc/27/15/34/402271534.db2.gz DEIULWGVELJLPC-CQSZACIVSA-N 1 0 323.356 2.371 50 0 DEAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000071819586 402281548 /nfs/dbraw/zinc/28/15/48/402281548.db2.gz NBHWFWQEWWJXKP-BETUJISGSA-N 1 0 315.421 2.017 50 0 DEAARO CCn1cncc1C[N@H+](C)CCc1nc2cc(OC)ccc2[nH]1 ZINC000215464001 402283190 /nfs/dbraw/zinc/28/31/90/402283190.db2.gz HMJOBAOHLWSQIF-UHFFFAOYSA-N 1 0 313.405 2.462 50 0 DEAARO C=Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000215770022 402285010 /nfs/dbraw/zinc/28/50/10/402285010.db2.gz WRNDEJGBYKYZKV-GOSISDBHSA-N 1 0 314.429 2.391 50 0 DEAARO CC1(C)NC(=O)N(CC[N@H+](Cc2ccsc2)C2CC2)C1=O ZINC000071836942 402286707 /nfs/dbraw/zinc/28/67/07/402286707.db2.gz GUXITVOXHJAUKF-UHFFFAOYSA-N 1 0 307.419 2.043 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CC(=O)OC)cc1 ZINC000071853842 402288384 /nfs/dbraw/zinc/28/83/84/402288384.db2.gz VDFXVBMWDVZDIM-ZDUSSCGKSA-N 1 0 306.406 2.210 50 0 DEAARO Cc1cc(C)c(CNC(=O)COCC(F)(F)C(F)F)cn1 ZINC000220269301 402300762 /nfs/dbraw/zinc/30/07/62/402300762.db2.gz KPAHYZZSRLWZOE-UHFFFAOYSA-N 1 0 308.275 2.232 50 0 DEAARO Cn1cccc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000220348417 402301371 /nfs/dbraw/zinc/30/13/71/402301371.db2.gz XTPGCLGXRKFZDV-UHFFFAOYSA-N 1 0 311.429 2.419 50 0 DEAARO COC[C@H]1CCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000221328133 402304194 /nfs/dbraw/zinc/30/41/94/402304194.db2.gz VEFUEWWOWQJLHZ-INIZCTEOSA-N 1 0 316.445 2.145 50 0 DEAARO COC(=O)c1ccc(CN2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)o1 ZINC000221878434 402304911 /nfs/dbraw/zinc/30/49/11/402304911.db2.gz QNYOISGPQFJVAS-CABCVRRESA-N 1 0 318.348 2.132 50 0 DEAARO CC(C)Cc1cc(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)on1 ZINC000222635963 402307820 /nfs/dbraw/zinc/30/78/20/402307820.db2.gz QYWJAKUJCYJERG-UHFFFAOYSA-N 1 0 317.393 2.096 50 0 DEAARO CCOc1ncccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229754200 402344651 /nfs/dbraw/zinc/34/46/51/402344651.db2.gz TUYFRWNVLPCKFA-OCCSQVGLSA-N 1 0 304.394 2.229 50 0 DEAARO CCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@H]32)s1 ZINC000230082203 402347218 /nfs/dbraw/zinc/34/72/18/402347218.db2.gz TXEZUVRLPRDIKO-HUUCEWRRSA-N 1 0 308.447 2.180 50 0 DEAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1(C)C ZINC000230257362 402349737 /nfs/dbraw/zinc/34/97/37/402349737.db2.gz MJLLRDXWVCFBHU-BBWFWOEESA-N 1 0 321.509 2.225 50 0 DEAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000236683417 402373972 /nfs/dbraw/zinc/37/39/72/402373972.db2.gz XPXYQAODXMBKSA-JKSUJKDBSA-N 1 0 304.434 2.425 50 0 DEAARO CCOCCOc1ccccc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000244794874 402449468 /nfs/dbraw/zinc/44/94/68/402449468.db2.gz QVKRYEWSEAESNB-OAHLLOKOSA-N 1 0 320.433 2.364 50 0 DEAARO Cc1nc(CC2CC[NH+](CCn3cc(Cl)cn3)CC2)no1 ZINC000244787930 402449636 /nfs/dbraw/zinc/44/96/36/402449636.db2.gz QGLWQQLPRILILZ-UHFFFAOYSA-N 1 0 309.801 2.183 50 0 DEAARO c1ncn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244853024 402450014 /nfs/dbraw/zinc/45/00/14/402450014.db2.gz VDWZCEXFEJRFKV-HNNXBMFYSA-N 1 0 324.388 2.208 50 0 DEAARO C[C@@H](C(=O)Nc1ccccn1)N(C)CC[N@H+](C)C1CCCC1 ZINC000244816772 402450023 /nfs/dbraw/zinc/45/00/23/402450023.db2.gz SOBLASQLSLKOLX-AWEZNQCLSA-N 1 0 304.438 2.215 50 0 DEAARO CC[C@@H](NC(=O)CC[NH+]1Cc2ccccc2C1)[C@H]1C[C@H](O)C1 ZINC000244873261 402451103 /nfs/dbraw/zinc/45/11/03/402451103.db2.gz WMUZVTODGXTAPA-BRWVUGGUSA-N 1 0 302.418 2.058 50 0 DEAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000237958786 402428359 /nfs/dbraw/zinc/42/83/59/402428359.db2.gz QUMMOXHOKQLJHH-CYBMUJFWSA-N 1 0 302.353 2.169 50 0 DEAARO COc1ccccc1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000244899735 402451658 /nfs/dbraw/zinc/45/16/58/402451658.db2.gz ZPCBGHPKJVYXMD-UHFFFAOYSA-N 1 0 302.418 2.497 50 0 DEAARO CC(=O)NC1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000239722562 402441670 /nfs/dbraw/zinc/44/16/70/402441670.db2.gz CDLAKCCYRPHVDM-UHFFFAOYSA-N 1 0 314.788 2.458 50 0 DEAARO CC[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCCc1nccn1C ZINC000240517128 402442043 /nfs/dbraw/zinc/44/20/43/402442043.db2.gz NVJFPZRYLJDRRJ-LBPRGKRZSA-N 1 0 321.450 2.158 50 0 DEAARO COc1ccc(CC[N@H+](C)Cc2cc(=O)[nH]c(C)n2)cc1OC ZINC000241081917 402442856 /nfs/dbraw/zinc/44/28/56/402442856.db2.gz YSLXLLSBQCAKBE-UHFFFAOYSA-N 1 0 317.389 2.182 50 0 DEAARO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)[C@H](n2cncn2)C1 ZINC000241439979 402443249 /nfs/dbraw/zinc/44/32/49/402443249.db2.gz NNZNWGITBQYIIL-ZTFGCOKTSA-N 1 0 314.433 2.332 50 0 DEAARO COC(=O)c1sc(N[C@@H]2CC[N@@H+](C(C)C)C2)nc1Cl ZINC000170641721 402510029 /nfs/dbraw/zinc/51/00/29/402510029.db2.gz CEGGNOTYWSDOLC-MRVPVSSYSA-N 1 0 303.815 2.478 50 0 DEAARO CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)c1Cl ZINC000178568255 402512701 /nfs/dbraw/zinc/51/27/01/402512701.db2.gz BRIUAICFCZZGIE-GFUIURDCSA-N 1 0 324.856 2.465 50 0 DEAARO CN1CC[NH+](CCC(C)(C)NC(=O)CCc2cccs2)CC1 ZINC000170598529 402506388 /nfs/dbraw/zinc/50/63/88/402506388.db2.gz BMXOEJGRDJHIMG-UHFFFAOYSA-N 1 0 323.506 2.213 50 0 DEAARO O=C(CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)Nc1cccc(F)c1 ZINC000246278554 402522593 /nfs/dbraw/zinc/52/25/93/402522593.db2.gz SSOWYENEQPUJEM-HZPDHXFCSA-N 1 0 322.380 2.034 50 0 DEAARO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[NH2+]3)cs2)o1 ZINC000178758566 402536008 /nfs/dbraw/zinc/53/60/08/402536008.db2.gz 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ZINC000194070081 402783607 /nfs/dbraw/zinc/78/36/07/402783607.db2.gz PGMRPWDETWIHQK-RHSMWYFYSA-N 1 0 305.418 2.426 50 0 DEAARO CN(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265910561 402961327 /nfs/dbraw/zinc/96/13/27/402961327.db2.gz XMSYNOVPUSICNY-LSDHHAIUSA-N 1 0 310.463 2.198 50 0 DEAARO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274473591 403059121 /nfs/dbraw/zinc/05/91/21/403059121.db2.gz ACZWKQPULLRNMZ-IAGOWNOFSA-N 1 0 322.474 2.288 50 0 DEAARO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cccc(OC)n1)C2 ZINC000276588547 403189410 /nfs/dbraw/zinc/18/94/10/403189410.db2.gz CYFXFNHCBNTUFM-AWEZNQCLSA-N 1 0 300.358 2.192 50 0 DEAARO COc1cc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)on1 ZINC000332065693 403473613 /nfs/dbraw/zinc/47/36/13/403473613.db2.gz RWCHBVGBCIYYKB-ZDUSSCGKSA-N 1 0 315.373 2.206 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cncnc2)c1 ZINC000299769196 403569823 /nfs/dbraw/zinc/56/98/23/403569823.db2.gz LLYZKCKQFIXWMH-QGZVFWFLSA-N 1 0 310.401 2.358 50 0 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406812402 /nfs/dbraw/zinc/81/24/02/406812402.db2.gz XZKGQXYYPHAYQC-UHFFFAOYSA-N 1 0 313.401 2.202 50 0 DEAARO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000575430471 406810505 /nfs/dbraw/zinc/81/05/05/406810505.db2.gz DWNGXTITRATIIU-DLBZAZTESA-N 1 0 307.482 2.408 50 0 DEAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)c1cccn1C ZINC000225426926 287176489 /nfs/dbraw/zinc/17/64/89/287176489.db2.gz ILZSCCLEMIFZQG-HUUCEWRRSA-N 1 0 321.465 2.111 50 0 DEAARO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(Cl)c1F ZINC000134084271 196360305 /nfs/dbraw/zinc/36/03/05/196360305.db2.gz QCQUBSFUZVNNMD-NSHDSACASA-N 1 0 313.760 2.072 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NC[C@H]1CCCOC1 ZINC000244735124 225217564 /nfs/dbraw/zinc/21/75/64/225217564.db2.gz NTEFYDFXRQQYBZ-SJLPKXTDSA-N 1 0 316.445 2.409 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000299739604 229372885 /nfs/dbraw/zinc/37/28/85/229372885.db2.gz QNXXBOXPEVRLNY-SDDRHHMPSA-N 1 0 312.360 2.318 50 0 DEAARO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000299738952 229372964 /nfs/dbraw/zinc/37/29/64/229372964.db2.gz ISZLMNGRRCZESC-UAGQMJEPSA-N 1 0 302.418 2.270 50 0 DEAARO Nc1ccc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)cn1 ZINC000244673646 262548895 /nfs/dbraw/zinc/54/88/95/262548895.db2.gz HTEJNVVGYQLVIQ-UHFFFAOYSA-N 1 0 324.428 2.273 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)NCc1cccnc1)c1cccs1 ZINC000044889762 424813954 /nfs/dbraw/zinc/81/39/54/424813954.db2.gz XEGVBVFTWZMUDK-CYBMUJFWSA-N 1 0 304.419 2.245 50 0 DEAARO Nc1n[nH]c([C@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)n1 ZINC000585136624 424993187 /nfs/dbraw/zinc/99/31/87/424993187.db2.gz NFOCORBLSRMHAW-NSHDSACASA-N 1 0 321.375 2.477 50 0 DEAARO COCCCN1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095512283 274021353 /nfs/dbraw/zinc/02/13/53/274021353.db2.gz XOXMRMIKFXAIED-KRWDZBQOSA-N 1 0 318.461 2.282 50 0 DEAARO COC[C@@H](O)C[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000284710041 274045060 /nfs/dbraw/zinc/04/50/60/274045060.db2.gz 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Cc1cnn([C@@H](C)CNC(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000534584539 334291630 /nfs/dbraw/zinc/29/16/30/334291630.db2.gz OYCDNDYLYXWNAV-AWEZNQCLSA-N 1 0 316.405 2.371 50 0 DEAARO Cc1cc(CNC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000534587264 334292392 /nfs/dbraw/zinc/29/23/92/334292392.db2.gz FDDCVVDKYMDNLA-AWEZNQCLSA-N 1 0 302.422 2.158 50 0 DEAARO Cc1cccc(C)c1OC1CN(C(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC000534634790 334308840 /nfs/dbraw/zinc/30/88/40/334308840.db2.gz ARYZTXCAFQOUBC-OAHLLOKOSA-N 1 0 319.449 2.416 50 0 DEAARO [NH3+][C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 ZINC000534641412 334311455 /nfs/dbraw/zinc/31/14/55/334311455.db2.gz DFTDJXRGIOHLSN-JTQLQIEISA-N 1 0 315.343 2.023 50 0 DEAARO C[C@@H](c1ccccc1Cl)N(C(=O)C[C@@H](C[NH3+])CO)C1CC1 ZINC000328598359 534124799 /nfs/dbraw/zinc/12/47/99/534124799.db2.gz LTLCDTZQLBYZJU-RYUDHWBXSA-N 1 0 310.825 2.349 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000299739175 534691776 /nfs/dbraw/zinc/69/17/76/534691776.db2.gz LMQRHYKUXPMKIH-GFCCVEGCSA-N 1 0 317.414 2.143 50 0 DEAARO C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)COC[C@H]1CCOC1 ZINC000241515679 527485888 /nfs/dbraw/zinc/48/58/88/527485888.db2.gz OGZXILHHUGCFJD-APIJFGDWSA-N 1 0 317.520 2.399 50 0 DEAARO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)Cn1cccn1)CCC2 ZINC000248197915 536156108 /nfs/dbraw/zinc/15/61/08/536156108.db2.gz MEQQEWTYNBJEIR-OCCSQVGLSA-N 1 0 320.462 2.272 50 0 DEAARO CC[C@H](O)CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000012039858 635964304 /nfs/dbraw/zinc/96/43/04/635964304.db2.gz YGZWGUCRUNZFLN-CVEARBPZSA-N 1 0 308.397 2.067 50 0 DEAARO CC[C@@H](O)CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000012039864 635964482 /nfs/dbraw/zinc/96/44/82/635964482.db2.gz YGZWGUCRUNZFLN-JKSUJKDBSA-N 1 0 308.397 2.067 50 0 DEAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1cnccn1 ZINC000012471343 636054035 /nfs/dbraw/zinc/05/40/35/636054035.db2.gz OJFVXMPZGZFWMF-HNNXBMFYSA-N 1 0 302.422 2.251 50 0 DEAARO Cc1nn(C)cc1C[N@H+]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000012338038 636215448 /nfs/dbraw/zinc/21/54/48/636215448.db2.gz DDMXJVLGXMDIPQ-UHFFFAOYSA-N 1 0 318.465 2.343 50 0 DEAARO COC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC(C)(C)C)C2)cc1 ZINC000012593180 636947602 /nfs/dbraw/zinc/94/76/02/636947602.db2.gz LRXHLEOLDFKPDG-OAHLLOKOSA-N 1 0 318.417 2.210 50 0 DEAARO Cc1sc2nc(CC[NH3+])nc(N[C@H](C)c3nc[nH]n3)c2c1C ZINC000065435878 683923877 /nfs/dbraw/zinc/92/38/77/683923877.db2.gz OEURDRXXIKQFON-MRVPVSSYSA-N 1 0 317.422 2.101 50 0 DEAARO O=c1c2ccc[nH]c-2cn1C[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000065530662 683924316 /nfs/dbraw/zinc/92/43/16/683924316.db2.gz WWIRUILSEOLKRD-QGZVFWFLSA-N 1 0 308.385 2.270 50 0 DEAARO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cncs3)C2)n1 ZINC000067966722 683925571 /nfs/dbraw/zinc/92/55/71/683925571.db2.gz YMTNUUQNWTVXLQ-ZDUSSCGKSA-N 1 0 316.430 2.098 50 0 DEAARO CC(C)C[N@@H+]1CCCn2nc(CNc3ncccn3)cc2C1 ZINC000082097624 683995648 /nfs/dbraw/zinc/99/56/48/683995648.db2.gz YHKUNJCLFYDFJF-UHFFFAOYSA-N 1 0 300.410 2.147 50 0 DEAARO CCO/C=C\[C@](O)(CNCc1ccc(C)cn1)C(F)(F)F ZINC000928996430 693869518 /nfs/dbraw/zinc/86/95/18/693869518.db2.gz RWRYVBYWEKYRBT-FWWRYZNZSA-N 1 0 304.312 2.323 50 0 DEAARO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)nc1 ZINC000675011744 778331996 /nfs/dbraw/zinc/33/19/96/778331996.db2.gz XPMZMOSMXWVVEH-CABCVRRESA-N 1 0 310.401 2.326 50 0 DEAARO O=C(c1ccccc1)N(CC[NH+]1CCCC1)C1CCOCC1 ZINC000675022019 778337559 /nfs/dbraw/zinc/33/75/59/778337559.db2.gz IFHYJJMKZIAMNW-UHFFFAOYSA-N 1 0 302.418 2.404 50 0 DEAARO O=c1ccncn1CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000585636156 778664977 /nfs/dbraw/zinc/66/49/77/778664977.db2.gz DSCSLZCXIKFUML-UHFFFAOYSA-N 1 0 319.355 2.434 50 0 DEAARO CCn1nc(-c2ccccc2)nc1[C@@H]1CC[N@H+](CCOC)C1 ZINC000824412402 783594653 /nfs/dbraw/zinc/59/46/53/783594653.db2.gz NSJBRWHWMWMDRI-OAHLLOKOSA-N 1 0 300.406 2.401 50 0 DEAARO CC(C)c1csc(CCNC(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000827268011 783670155 /nfs/dbraw/zinc/67/01/55/783670155.db2.gz MTHFRZSCRLJBFO-LBPRGKRZSA-N 1 0 310.467 2.332 50 0 DEAARO CC(C)(C)[C@H]([NH3+])c1nc(COc2cccc(F)c2)nn1CCO ZINC000828778550 783850198 /nfs/dbraw/zinc/85/01/98/783850198.db2.gz XQSXLRXWGKQGAC-CQSZACIVSA-N 1 0 322.384 2.034 50 0 DEAARO O=C(Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581788296 784776127 /nfs/dbraw/zinc/77/61/27/784776127.db2.gz ZRJVWWRPYVCPNP-MRXNPFEDSA-N 1 0 301.434 2.349 50 0 DEAARO Cc1nn(C)c(=O)n1C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000581813975 784790709 /nfs/dbraw/zinc/79/07/09/784790709.db2.gz AZWSTJJOHGTZDC-UHFFFAOYSA-N 1 0 300.406 2.036 50 0 DEAARO Cc1cc(CNC(=O)[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000585090648 789694191 /nfs/dbraw/zinc/69/41/91/789694191.db2.gz IIZQVPKXKZADIG-AWEZNQCLSA-N 1 0 317.364 2.260 50 0 DEAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000952871920 792789249 /nfs/dbraw/zinc/78/92/49/792789249.db2.gz GPIARGMBJVXHHS-HUUCEWRRSA-N 1 0 321.396 2.143 50 0 DEAARO CN(C)C(=O)c1cccc(NCC2([NH+](C)C)CCCCC2)n1 ZINC000952873392 792790335 /nfs/dbraw/zinc/79/03/35/792790335.db2.gz WIDAZKHARTWZAN-UHFFFAOYSA-N 1 0 304.438 2.460 50 0 DEAARO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1cnn(C)n1 ZINC000952876873 792792147 /nfs/dbraw/zinc/79/21/47/792792147.db2.gz ZOCLIDFKCZZDPH-DRZSPHRISA-N 1 0 323.441 2.158 50 0 DEAARO CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000952877652 792793299 /nfs/dbraw/zinc/79/32/99/792793299.db2.gz SVNADZVMADWJTO-AXAPSJFSSA-N 1 0 322.380 2.342 50 0 DEAARO C[N@@H+]1CCC[C@](O)(Cc2nc(-c3nccc4ccccc43)no2)C1 ZINC000952885621 792795865 /nfs/dbraw/zinc/79/58/65/792795865.db2.gz FFVLQNAQNLNNRZ-SFHVURJKSA-N 1 0 324.384 2.284 50 0 DEAARO CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C ZINC000952972810 792833081 /nfs/dbraw/zinc/83/30/81/792833081.db2.gz HPSDTUUJGYVTFU-CYBMUJFWSA-N 1 0 305.422 2.412 50 0 DEAARO C[C@H]1CCC(=O)N1c1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000952976573 792840758 /nfs/dbraw/zinc/84/07/58/792840758.db2.gz WPGCPMQQEMEUNK-LBPRGKRZSA-N 1 0 301.390 2.412 50 0 DEAARO COc1ccc(/C=C/C[NH2+]CCN2CCCC[C@H]2CO)cc1 ZINC000952978746 792843753 /nfs/dbraw/zinc/84/37/53/792843753.db2.gz STSDKIXTCRDKHE-BDUNBXCCSA-N 1 0 304.434 2.145 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(N)=O ZINC000952985569 792866067 /nfs/dbraw/zinc/86/60/67/792866067.db2.gz FSPSLERXFCPLBM-IAGOWNOFSA-N 1 0 310.401 2.090 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1ccc(-c2ccccc2)nn1 ZINC001529104014 1070857590 /nfs/dbraw/zinc/85/75/90/1070857590.db2.gz JXYVDEKMJKJJCX-INIZCTEOSA-N 1 0 312.417 2.402 50 0 DEAARO COc1ccc(C(=O)Nc2nnc(CC[NH+](C)C)s2)cc1F ZINC001529121013 1070867531 /nfs/dbraw/zinc/86/75/31/1070867531.db2.gz YBPNPBQGJOVMOZ-UHFFFAOYSA-N 1 0 324.381 2.042 50 0 DEAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC001506399577 1061939761 /nfs/dbraw/zinc/93/97/61/1061939761.db2.gz OUDPMWLXHSTTTJ-HNNXBMFYSA-N 1 0 324.384 2.378 50 0 DEAARO CC[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1F)[NH+](C)C ZINC001506398619 1061941153 /nfs/dbraw/zinc/94/11/53/1061941153.db2.gz USECHWQPSHIWKM-GFCCVEGCSA-N 1 0 322.833 2.239 50 0 DEAARO CCc1nccn1C[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001506406809 1061948273 /nfs/dbraw/zinc/94/82/73/1061948273.db2.gz JMPDQYIOICWREF-HNNXBMFYSA-N 1 0 314.433 2.362 50 0 DEAARO Cc1nncn1CC[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC001506412467 1061953761 /nfs/dbraw/zinc/95/37/61/1061953761.db2.gz DFDCFHIRMAJPRR-HNNXBMFYSA-N 1 0 306.435 2.329 50 0 DEAARO Cc1ccsc1C[N@H+](CCn1c(=O)cc(C)[nH]c1=O)C1CC1 ZINC001506424258 1061968779 /nfs/dbraw/zinc/96/87/79/1061968779.db2.gz KBIOXOJCRNLYKX-UHFFFAOYSA-N 1 0 319.430 2.292 50 0 DEAARO C[C@H](CCN(C)c1cccc(C(=O)N(C)C)n1)[NH+]1CCCC1 ZINC001506427183 1061972463 /nfs/dbraw/zinc/97/24/63/1061972463.db2.gz KZXAKXJLINMYJH-CQSZACIVSA-N 1 0 304.438 2.094 50 0 DEAARO c1ccc2c(c1)C[C@@H](C[NH+]1CCN(c3cnccn3)CC1)CCO2 ZINC000095496664 185374040 /nfs/dbraw/zinc/37/40/40/185374040.db2.gz BCYOLTWXVKBDTA-INIZCTEOSA-N 1 0 324.428 2.240 50 0 DEAARO Cc1nn(C)c2nc(NCCCCC[NH+]3CCOCC3)sc12 ZINC000095505242 185375274 /nfs/dbraw/zinc/37/52/74/185375274.db2.gz PMFZMTPFTOZADP-UHFFFAOYSA-N 1 0 323.466 2.253 50 0 DEAARO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C2)s1 ZINC000095508017 185375757 /nfs/dbraw/zinc/37/57/57/185375757.db2.gz KIYLOZPWTVDHOV-UONOGXRCSA-N 1 0 316.492 2.062 50 0 DEAARO CCOCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079096374 185157567 /nfs/dbraw/zinc/15/75/67/185157567.db2.gz LTDRZSGJKKWOJS-OAHLLOKOSA-N 1 0 320.433 2.039 50 0 DEAARO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000079335652 185165525 /nfs/dbraw/zinc/16/55/25/185165525.db2.gz MRXNUUCHFRCLHK-UHFFFAOYSA-N 1 0 322.424 2.330 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCOC1 ZINC000048311707 295679387 /nfs/dbraw/zinc/67/93/87/295679387.db2.gz KCEUGYOOVOJBME-UONOGXRCSA-N 1 0 323.462 2.221 50 0 DEAARO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CC[NH2+]1 ZINC000088058939 185238363 /nfs/dbraw/zinc/23/83/63/185238363.db2.gz WHKUMTBLHKMPDK-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO Cn1ccnc1CCC[N@H+](C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000082099294 192354566 /nfs/dbraw/zinc/35/45/66/192354566.db2.gz UVOJGWRIWRMEQN-OAHLLOKOSA-N 1 0 307.438 2.013 50 0 DEAARO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COCc2ccccc2)n1 ZINC000006941281 190626733 /nfs/dbraw/zinc/62/67/33/190626733.db2.gz KIQRTRKMBJRHJE-SFHVURJKSA-N 1 0 317.433 2.057 50 0 DEAARO Cc1cn2c(nc(C[N@@H+]3CCC[C@]4(CCOC4)C3)cc2=O)s1 ZINC000095392414 185352031 /nfs/dbraw/zinc/35/20/31/185352031.db2.gz IPQDCJDGKVUWMA-INIZCTEOSA-N 1 0 319.430 2.067 50 0 DEAARO C[C@@H]([NH2+]C1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1 ZINC000095396878 185353009 /nfs/dbraw/zinc/35/30/09/185353009.db2.gz YPJNVPJXVJKWST-CQSZACIVSA-N 1 0 317.433 2.348 50 0 DEAARO Cc1cc(Cl)ccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000095398677 185353404 /nfs/dbraw/zinc/35/34/04/185353404.db2.gz ZHVWLTBJUDWEAS-CYBMUJFWSA-N 1 0 311.813 2.443 50 0 DEAARO C[C@H](CCn1cncn1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095408391 185356652 /nfs/dbraw/zinc/35/66/52/185356652.db2.gz PZQQZARXLPVEFS-CYBMUJFWSA-N 1 0 302.378 2.008 50 0 DEAARO C[C@@H](Cc1ccsc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000095419855 185360266 /nfs/dbraw/zinc/36/02/66/185360266.db2.gz KOHNFLQMZLBJKJ-LBPRGKRZSA-N 1 0 324.471 2.159 50 0 DEAARO C[C@@H](CCn1cncn1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000095421303 185360359 /nfs/dbraw/zinc/36/03/59/185360359.db2.gz SKQJNKBAVXEYCS-ZDUSSCGKSA-N 1 0 316.405 2.353 50 0 DEAARO CC1(C)C[C@H]([NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 ZINC000095423850 185361283 /nfs/dbraw/zinc/36/12/83/185361283.db2.gz KXTBXTRRVFOWIW-CABCVRRESA-N 1 0 317.433 2.232 50 0 DEAARO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000095424934 185361346 /nfs/dbraw/zinc/36/13/46/185361346.db2.gz WQEPLKYUEWGIGE-GJZGRUSLSA-N 1 0 309.454 2.214 50 0 DEAARO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)sc1C ZINC000028012673 539332115 /nfs/dbraw/zinc/33/21/15/539332115.db2.gz GKTCNFRWEXHZBL-AWEZNQCLSA-N 1 0 310.463 2.452 50 0 DEAARO COc1ccccc1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000095432264 185363489 /nfs/dbraw/zinc/36/34/89/185363489.db2.gz MYNWQOCSMGHEDI-UHFFFAOYSA-N 1 0 317.433 2.194 50 0 DEAARO COc1ccc(-c2nccn2C[C@H](O)C[NH+]2CCCC2)c(F)c1 ZINC000077540894 539363150 /nfs/dbraw/zinc/36/31/50/539363150.db2.gz MCDDDRYHYWMYID-CYBMUJFWSA-N 1 0 319.380 2.155 50 0 DEAARO COc1ccc(OC)c(-c2nc(CN3CC[NH2+]CC3)c(C)o2)c1 ZINC000067820778 190724739 /nfs/dbraw/zinc/72/47/39/190724739.db2.gz ABKGSPQYASZEJP-UHFFFAOYSA-N 1 0 317.389 2.072 50 0 DEAARO C([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@@H]1CCCCO1 ZINC000069948613 190841177 /nfs/dbraw/zinc/84/11/77/190841177.db2.gz YSVQPDOYNCVNLN-GJZGRUSLSA-N 1 0 320.437 2.070 50 0 DEAARO CNC(=O)Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000069978960 190846172 /nfs/dbraw/zinc/84/61/72/190846172.db2.gz BXMUHAVHLHTQQP-CQSZACIVSA-N 1 0 317.433 2.178 50 0 DEAARO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CSCCS1 ZINC000170048466 539614243 /nfs/dbraw/zinc/61/42/43/539614243.db2.gz XOZMQNVZTVGLDK-ZDUSSCGKSA-N 1 0 302.509 2.264 50 0 DEAARO CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000170048915 539614422 /nfs/dbraw/zinc/61/44/22/539614422.db2.gz MLWSPGLAMSJSOO-JKSUJKDBSA-N 1 0 304.434 2.139 50 0 DEAARO O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N1CCc2ccccc21 ZINC000193849347 539716074 /nfs/dbraw/zinc/71/60/74/539716074.db2.gz KVKVHYPPTSZOCO-HNNXBMFYSA-N 1 0 310.401 2.178 50 0 DEAARO CN(C)c1n[nH]c(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000072153968 191057996 /nfs/dbraw/zinc/05/79/96/191057996.db2.gz OOHFQPKIIHWLGG-CQSZACIVSA-N 1 0 315.421 2.318 50 0 DEAARO OCC[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000143145134 186033485 /nfs/dbraw/zinc/03/34/85/186033485.db2.gz SXSMGDYLYXCGAL-CQSZACIVSA-N 1 0 303.324 2.443 50 0 DEAARO Cc1cnn([C@@H](C)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000253378497 186302653 /nfs/dbraw/zinc/30/26/53/186302653.db2.gz HBBPNYWSUOOYMZ-HNNXBMFYSA-N 1 0 304.438 2.229 50 0 DEAARO Nc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)ncn1 ZINC000072410309 191154721 /nfs/dbraw/zinc/15/47/21/191154721.db2.gz PEGIDGLEQYANBA-ZDUSSCGKSA-N 1 0 301.369 2.274 50 0 DEAARO c1oc(-c2ccccc2)nc1CNc1ncnc2c1CC[NH2+]CC2 ZINC000072454108 191171753 /nfs/dbraw/zinc/17/17/53/191171753.db2.gz BHPHYDGRWDKXCZ-UHFFFAOYSA-N 1 0 321.384 2.432 50 0 DEAARO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C[C@@H]1COCCO1 ZINC000072459154 191172184 /nfs/dbraw/zinc/17/21/84/191172184.db2.gz BGMLTYWFPPBLJT-QGZVFWFLSA-N 1 0 307.434 2.237 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000004488463 181114300 /nfs/dbraw/zinc/11/43/00/181114300.db2.gz CBIUJUQOAUFVIK-UHFFFAOYSA-N 1 0 315.402 2.352 50 0 DEAARO CC1(C)CC(NS(=O)(=O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000004511326 181117748 /nfs/dbraw/zinc/11/77/48/181117748.db2.gz BSQUOWFHDTWVDY-UHFFFAOYSA-N 1 0 314.426 2.413 50 0 DEAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O ZINC000004618723 181129707 /nfs/dbraw/zinc/12/97/07/181129707.db2.gz GWPBOFSHVUFSAR-HNNXBMFYSA-N 1 0 323.356 2.428 50 0 DEAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000071877231 354898061 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CCc1noc(CC[NH2+][C@@H]2CCc3ccc(OC)cc3C2)n1 ZINC000584887145 357325950 /nfs/dbraw/zinc/32/59/50/357325950.db2.gz GLYZGYSKZAZFCW-CQSZACIVSA-N 1 0 301.390 2.330 50 0 DEAARO Cc1ccsc1[C@@H](Cn1cnc2ncccc2c1=O)[NH+](C)C ZINC000584889570 357326002 /nfs/dbraw/zinc/32/60/02/357326002.db2.gz VAUMLWPLRWBIJP-CYBMUJFWSA-N 1 0 314.414 2.464 50 0 DEAARO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](O)CC1 ZINC000584899582 357330381 /nfs/dbraw/zinc/33/03/81/357330381.db2.gz KNCHMHHVZYLJPV-KRWDZBQOSA-N 1 0 308.466 2.405 50 0 DEAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1sccc1Cl ZINC000584899752 357330568 /nfs/dbraw/zinc/33/05/68/357330568.db2.gz PGTNNJDGFWDTNS-LLVKDONJSA-N 1 0 316.854 2.368 50 0 DEAARO CN(CCc1nc2ccccc2[nH]1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000584899417 357330705 /nfs/dbraw/zinc/33/07/05/357330705.db2.gz DMKUHDCUGZWVQU-KGLIPLIRSA-N 1 0 312.417 2.048 50 0 DEAARO C/C=C/c1ccc(OCC(=O)N2CC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000178988008 198965291 /nfs/dbraw/zinc/96/52/91/198965291.db2.gz 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ZINC000670452059 540935833 /nfs/dbraw/zinc/93/58/33/540935833.db2.gz IVDFUNHHUUYGQJ-LBPRGKRZSA-N 1 0 314.788 2.056 50 0 DEAARO C[NH+](C)[C@H](CNc1nnnn1-c1ccccc1)c1ccccc1 ZINC000006541488 181352851 /nfs/dbraw/zinc/35/28/51/181352851.db2.gz YFWSLKAVAYQRRE-MRXNPFEDSA-N 1 0 308.389 2.377 50 0 DEAARO C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000006556245 181354182 /nfs/dbraw/zinc/35/41/82/181354182.db2.gz IKWRGCJITJVXSP-DZGCQCFKSA-N 1 0 307.390 2.025 50 0 DEAARO NS(=O)(=O)c1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000006704529 181375414 /nfs/dbraw/zinc/37/54/14/181375414.db2.gz OUDXSXXWOUEWBF-QPJJXVBHSA-N 1 0 316.426 2.180 50 0 DEAARO CC(C)Oc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000091300260 193034477 /nfs/dbraw/zinc/03/44/77/193034477.db2.gz USHDHPAFLAAJOX-GFCCVEGCSA-N 1 0 312.797 2.444 50 0 DEAARO O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1CCO ZINC000091444797 193057072 /nfs/dbraw/zinc/05/70/72/193057072.db2.gz HKHMELWDWYBLBV-INIZCTEOSA-N 1 0 306.450 2.040 50 0 DEAARO C[NH2+]CC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000091526647 193069762 /nfs/dbraw/zinc/06/97/62/193069762.db2.gz JGGHBQXHYFJHFO-OAHLLOKOSA-N 1 0 312.417 2.202 50 0 DEAARO CN1CC2(CC[NH+](CCCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091550516 193072653 /nfs/dbraw/zinc/07/26/53/193072653.db2.gz AHHFBTSEOQRBIZ-KRWDZBQOSA-N 1 0 316.445 2.097 50 0 DEAARO CCCCc1c(C)[nH+]c(N)nc1NC[C@H](O)c1ccccn1 ZINC000091695168 193092885 /nfs/dbraw/zinc/09/28/85/193092885.db2.gz AVLWLJOIHNOEBK-AWEZNQCLSA-N 1 0 301.394 2.250 50 0 DEAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 ZINC000091694424 193092986 /nfs/dbraw/zinc/09/29/86/193092986.db2.gz JDGJVKVBVZBYQM-UHFFFAOYSA-N 1 0 316.445 2.192 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1F)C2 ZINC000091757495 193102891 /nfs/dbraw/zinc/10/28/91/193102891.db2.gz VXUJYMIKLVTPLI-GOEBONIOSA-N 1 0 322.424 2.377 50 0 DEAARO COCC[C@]1(O)CC[N@H+](CCOc2ccc(F)cc2)C[C@H]1C ZINC000091973741 193135410 /nfs/dbraw/zinc/13/54/10/193135410.db2.gz 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181974491 /nfs/dbraw/zinc/97/44/91/181974491.db2.gz STRLDGYPOCZRQP-AWEZNQCLSA-N 1 0 306.406 2.194 50 0 DEAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(F)c(F)cc1Cl ZINC000016383080 182042877 /nfs/dbraw/zinc/04/28/77/182042877.db2.gz TUAAHPNMAKVLSB-ZDUSSCGKSA-N 1 0 300.736 2.442 50 0 DEAARO C[NH+]1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000016602204 182051823 /nfs/dbraw/zinc/05/18/23/182051823.db2.gz KKJAIJXQRALUKD-UHFFFAOYSA-N 1 0 300.761 2.068 50 0 DEAARO COc1ccc(OC)c(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000019841449 182155650 /nfs/dbraw/zinc/15/56/50/182155650.db2.gz CTQFAGNULPMKDP-CHWSQXEVSA-N 1 0 322.405 2.142 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000019790763 182149069 /nfs/dbraw/zinc/14/90/69/182149069.db2.gz HPOYUWITWNOUEZ-KRWDZBQOSA-N 1 0 320.477 2.496 50 0 DEAARO CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020130440 182189756 /nfs/dbraw/zinc/18/97/56/182189756.db2.gz SLDWLZGFDVWVAM-UHFFFAOYSA-N 1 0 304.434 2.441 50 0 DEAARO Cn1nc(-c2ccccc2)c(CN2CC[NH+](C)CC2)c1Cl ZINC000020404970 182215063 /nfs/dbraw/zinc/21/50/63/182215063.db2.gz UWOLBTIBUPSBLN-UHFFFAOYSA-N 1 0 304.825 2.488 50 0 DEAARO Cc1cc(Cl)ccc1OCCOCCN1CC[NH+](C)CC1 ZINC000022033925 182305734 /nfs/dbraw/zinc/30/57/34/182305734.db2.gz ZXJHJSJPDFASMV-UHFFFAOYSA-N 1 0 312.841 2.291 50 0 DEAARO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)NC(C)C)CC1 ZINC000022778383 182334236 /nfs/dbraw/zinc/33/42/36/182334236.db2.gz IXGHCLYRNGKYKB-MRXNPFEDSA-N 1 0 303.450 2.026 50 0 DEAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1 ZINC000022915800 182341495 /nfs/dbraw/zinc/34/14/95/182341495.db2.gz YJMUHRSZGAXIJC-UHFFFAOYSA-N 1 0 323.440 2.485 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000023118748 182348888 /nfs/dbraw/zinc/34/88/88/182348888.db2.gz QBQPJOPHNLDCIF-QGZVFWFLSA-N 1 0 314.429 2.217 50 0 DEAARO COc1ccccc1OCC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000023127912 182349471 /nfs/dbraw/zinc/34/94/71/182349471.db2.gz BDWQUTLHFKKMPS-UHFFFAOYSA-N 1 0 320.433 2.311 50 0 DEAARO C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1cccs1 ZINC000023744726 182367769 /nfs/dbraw/zinc/36/77/69/182367769.db2.gz KGZNCLJCGZLIDI-ZDUSSCGKSA-N 1 0 314.418 2.439 50 0 DEAARO c1nn(-c2ccccc2)nc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000023761966 182368511 /nfs/dbraw/zinc/36/85/11/182368511.db2.gz SBEKROQZRXPJTQ-UHFFFAOYSA-N 1 0 322.368 2.328 50 0 DEAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1=COCCO1 ZINC000024650944 182386072 /nfs/dbraw/zinc/38/60/72/182386072.db2.gz NCEVBJRWAIYAOJ-UHFFFAOYSA-N 1 0 304.390 2.033 50 0 DEAARO Cc1ccc(NC(=O)[C@H](NC(=O)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000025107885 182401253 /nfs/dbraw/zinc/40/12/53/182401253.db2.gz BSPGUBABZMLWFX-MRXNPFEDSA-N 1 0 317.433 2.074 50 0 DEAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000036297300 182814192 /nfs/dbraw/zinc/81/41/92/182814192.db2.gz GSFCJSKQMJRSLR-QMMMGPOBSA-N 1 0 309.218 2.105 50 0 DEAARO CCCCc1nc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039356894 183017310 /nfs/dbraw/zinc/01/73/10/183017310.db2.gz FNWRTBPCWJDDHS-QGZVFWFLSA-N 1 0 322.497 2.277 50 0 DEAARO Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000040541809 183097863 /nfs/dbraw/zinc/09/78/63/183097863.db2.gz NJHIXNCKMDJNSH-HNNXBMFYSA-N 1 0 317.433 2.314 50 0 DEAARO CCC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000041283031 183183229 /nfs/dbraw/zinc/18/32/29/183183229.db2.gz IWKPDJIKHQLQCI-UHFFFAOYSA-N 1 0 316.405 2.273 50 0 DEAARO Cc1ccc(C)c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000041362388 183186939 /nfs/dbraw/zinc/18/69/39/183186939.db2.gz GMPHVMANRMDGBT-UHFFFAOYSA-N 1 0 303.450 2.061 50 0 DEAARO Cc1nn2c(nc(C[N@H+](C)Cc3ccc(C)cc3)cc2=O)s1 ZINC000043272919 183349957 /nfs/dbraw/zinc/34/99/57/183349957.db2.gz ZUSHTKPJEXEWDM-UHFFFAOYSA-N 1 0 314.414 2.400 50 0 DEAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106380606 194204550 /nfs/dbraw/zinc/20/45/50/194204550.db2.gz KDMDKRLPKZHIPB-QGZVFWFLSA-N 1 0 312.417 2.030 50 0 DEAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000106577538 194231811 /nfs/dbraw/zinc/23/18/11/194231811.db2.gz HMXZEWZFKOELFW-QKPAOTATSA-N 1 0 306.450 2.204 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000106584769 194233459 /nfs/dbraw/zinc/23/34/59/194233459.db2.gz HJUQFNZHSDORNE-IRXDYDNUSA-N 1 0 301.386 2.036 50 0 DEAARO c1cc2n(n1)C[C@@H](C[NH2+]C[C@@H]1CCN(c3ccccc3)C1)CN2 ZINC000106670508 194242803 /nfs/dbraw/zinc/24/28/03/194242803.db2.gz NVNAANUVDAYOEL-HOTGVXAUSA-N 1 0 311.433 2.041 50 0 DEAARO O=C(NCC[NH+]1CCCC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000057236443 184030725 /nfs/dbraw/zinc/03/07/25/184030725.db2.gz ZKNVUTAAWRRKCM-UHFFFAOYSA-N 1 0 320.408 2.086 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)c(C)nn1C ZINC000058344978 184107153 /nfs/dbraw/zinc/10/71/53/184107153.db2.gz JKPUYVDXEJUSAN-INIZCTEOSA-N 1 0 320.412 2.269 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1ccnc1)c1ccco1 ZINC000058354798 184107697 /nfs/dbraw/zinc/10/76/97/184107697.db2.gz HAWLLWSFXXOADU-KGLIPLIRSA-N 1 0 304.394 2.236 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000058344090 184107047 /nfs/dbraw/zinc/10/70/47/184107047.db2.gz KFCFGYJFAYVEQB-OAHLLOKOSA-N 1 0 312.417 2.332 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](c1cccs1)N(C)C)CN2 ZINC000058428888 184116950 /nfs/dbraw/zinc/11/69/50/184116950.db2.gz KAVBEXNQIITJIV-ZIAGYGMSSA-N 1 0 319.478 2.187 50 0 DEAARO COc1ccc2c(c1)ncn2C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856435 184289927 /nfs/dbraw/zinc/28/99/27/184289927.db2.gz LPHFMJMLKLLGJP-QZTJIDSGSA-N 1 0 315.417 2.424 50 0 DEAARO CC(C)Oc1ccc(OCC[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000065386627 184333337 /nfs/dbraw/zinc/33/33/37/184333337.db2.gz WFVLRSDZIUAZGE-INIZCTEOSA-N 1 0 306.406 2.111 50 0 DEAARO CC[N@H+](C)CCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000065411582 184340208 /nfs/dbraw/zinc/34/02/08/184340208.db2.gz DCUUDVSFIXSUCZ-UHFFFAOYSA-N 1 0 324.852 2.456 50 0 DEAARO COc1cccc(CC[NH2+][C@H](C)C(=O)NC2CCCC2)c1OC ZINC000065494205 184354580 /nfs/dbraw/zinc/35/45/80/184354580.db2.gz RHDBOARNWCNDQH-CYBMUJFWSA-N 1 0 320.433 2.283 50 0 DEAARO [NH3+]CCc1nc2ccccc2c(NCCC[C@H]2CCOC2)n1 ZINC000065399224 184336488 /nfs/dbraw/zinc/33/64/88/184336488.db2.gz JTLBRJWXVAMJSK-ZDUSSCGKSA-N 1 0 300.406 2.360 50 0 DEAARO C[C@H]([NH2+]CCN1CCc2ccccc21)C(=O)NC1CCCC1 ZINC000065405586 184338050 /nfs/dbraw/zinc/33/80/50/184338050.db2.gz USHHJQDFUPMIDA-AWEZNQCLSA-N 1 0 301.434 2.086 50 0 DEAARO Cc1cccnc1C[C@@H](C)Nc1nc(C)nc2c1CC[NH2+]CC2 ZINC000065535081 184362495 /nfs/dbraw/zinc/36/24/95/184362495.db2.gz BSXWTGGVUXZOLM-CYBMUJFWSA-N 1 0 311.433 2.220 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000065538514 184363434 /nfs/dbraw/zinc/36/34/34/184363434.db2.gz CSLZTDFWODWIJH-UHFFFAOYSA-N 1 0 319.497 2.326 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)C1 ZINC000269225479 207345019 /nfs/dbraw/zinc/34/50/19/207345019.db2.gz NIZZRCBDKUEFNI-IOASZLSFSA-N 1 0 306.381 2.243 50 0 DEAARO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000067552324 184471698 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O=c1oc2ccccc2n1CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000044975363 285229416 /nfs/dbraw/zinc/22/94/16/285229416.db2.gz OEYNDRRWLBJHJJ-CYBMUJFWSA-N 1 0 302.374 2.095 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000155156164 197027233 /nfs/dbraw/zinc/02/72/33/197027233.db2.gz BEPOQRMIXGMFSL-ZDUSSCGKSA-N 1 0 322.836 2.209 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000237220923 257239269 /nfs/dbraw/zinc/23/92/69/257239269.db2.gz AITCOWKNECDQGF-GFCCVEGCSA-N 1 0 314.788 2.458 50 0 DEAARO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000252486786 257258104 /nfs/dbraw/zinc/25/81/04/257258104.db2.gz NFPTVGPCPFUSFP-SOLBZPMBSA-N 1 0 303.402 2.390 50 0 DEAARO C[N@H+](CC(=O)NC[C@H]1CCOc2ccccc21)[C@H]1CCSC1 ZINC000252487521 257258521 /nfs/dbraw/zinc/25/85/21/257258521.db2.gz YTCKKLZVFPMMKY-KGLIPLIRSA-N 1 0 320.458 2.106 50 0 DEAARO COC[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000072255225 285343641 /nfs/dbraw/zinc/34/36/41/285343641.db2.gz LPRYUARJPGJGEP-JKSUJKDBSA-N 1 0 311.470 2.319 50 0 DEAARO O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3Br)CCOC1 ZINC000091405853 285344966 /nfs/dbraw/zinc/34/49/66/285344966.db2.gz ZSLRWXJUOUDBSQ-ZIAGYGMSSA-N 1 0 312.207 2.177 50 0 DEAARO O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3Br)CCOC1 ZINC000091405851 285345818 /nfs/dbraw/zinc/34/58/18/285345818.db2.gz ZSLRWXJUOUDBSQ-UONOGXRCSA-N 1 0 312.207 2.177 50 0 DEAARO C[C@@H](O)CCC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000408519768 533588461 /nfs/dbraw/zinc/58/84/61/533588461.db2.gz ZWOMFTYLLKAIFE-CVEARBPZSA-N 1 0 319.449 2.296 50 0 DEAARO CCOC(=O)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)Cc1ccccc1 ZINC000685944835 542769143 /nfs/dbraw/zinc/76/91/43/542769143.db2.gz BNWKZAUJKQBDBF-UAGQMJEPSA-N 1 0 305.418 2.423 50 0 DEAARO CC[NH+]1CCC(CCNS(=O)(=O)CC2CCCC2)CC1 ZINC000360207324 133169206 /nfs/dbraw/zinc/16/92/06/133169206.db2.gz PRZPXDURBJCERR-UHFFFAOYSA-N 1 0 302.484 2.218 50 0 DEAARO O=C1C[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)c2ccccc2N1 ZINC000368215107 133264671 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CCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)o1 ZINC000071910695 401696105 /nfs/dbraw/zinc/69/61/05/401696105.db2.gz WKBHIGUZJZAIEX-HNNXBMFYSA-N 1 0 306.406 2.228 50 0 DEAARO Cc1ccc(N2CCC[C@H]([NH2+]CC3(O)CCCCC3)C2)nn1 ZINC000072253902 401704217 /nfs/dbraw/zinc/70/42/17/401704217.db2.gz OVGGQSNHYFJBSE-HNNXBMFYSA-N 1 0 304.438 2.039 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@@H](C)n1cccn1 ZINC000072269798 401705100 /nfs/dbraw/zinc/70/51/00/401705100.db2.gz CNULSQBRHUSBLS-HUUCEWRRSA-N 1 0 312.417 2.402 50 0 DEAARO Cc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002358254 401713387 /nfs/dbraw/zinc/71/33/87/401713387.db2.gz FFDBKPZKJOBEMI-UHFFFAOYSA-N 1 0 317.433 2.359 50 0 DEAARO O=C(c1ccncc1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077354481 401811583 /nfs/dbraw/zinc/81/15/83/401811583.db2.gz QLZFACKZFGIPJX-UHFFFAOYSA-N 1 0 321.424 2.397 50 0 DEAARO O=S(=O)(Cc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000013670447 401802985 /nfs/dbraw/zinc/80/29/85/401802985.db2.gz VUPZSYSARNHDRI-UHFFFAOYSA-N 1 0 316.854 2.245 50 0 DEAARO CC[NH+]1CCC(NC(=S)Nc2ccc(OC)c(OC)c2)CC1 ZINC000013775669 401804533 /nfs/dbraw/zinc/80/45/33/401804533.db2.gz OYAAPRGFIHLSMX-UHFFFAOYSA-N 1 0 323.462 2.475 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000014110350 401806883 /nfs/dbraw/zinc/80/68/83/401806883.db2.gz AORKHEVBTUITDH-KBPBESRZSA-N 1 0 317.433 2.411 50 0 DEAARO CCc1nc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)cs1 ZINC000075128880 401750154 /nfs/dbraw/zinc/75/01/54/401750154.db2.gz QWHOQOTWRZXVCS-ZDUSSCGKSA-N 1 0 303.435 2.254 50 0 DEAARO Cc1ccc(NC(=O)[C@@H](NC(=O)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000009575889 401764265 /nfs/dbraw/zinc/76/42/65/401764265.db2.gz BSPGUBABZMLWFX-INIZCTEOSA-N 1 0 317.433 2.074 50 0 DEAARO C[N@H+](C[C@]1(O)CCCN(CC2CCC2)C1=O)C1CCCCC1 ZINC000011878544 401777584 /nfs/dbraw/zinc/77/75/84/401777584.db2.gz ZYKCRZBDZKMWOF-GOSISDBHSA-N 1 0 308.466 2.405 50 0 DEAARO CO[C@@]1(C)C[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000076091567 401781774 /nfs/dbraw/zinc/78/17/74/401781774.db2.gz LUFHQUSRAHOQJD-PBHICJAKSA-N 1 0 309.454 2.116 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000012202497 401781981 /nfs/dbraw/zinc/78/19/81/401781981.db2.gz SHKJPZGVYMFKGY-GOSISDBHSA-N 1 0 320.408 2.069 50 0 DEAARO C[NH+](C)CC[C@H]1CN(Cc2nc3c(s2)CCCC3)CCO1 ZINC000012432505 401785920 /nfs/dbraw/zinc/78/59/20/401785920.db2.gz VZTCIIOWZGCJKC-ZDUSSCGKSA-N 1 0 309.479 2.174 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cn2)CC1 ZINC000020373847 401823594 /nfs/dbraw/zinc/82/35/94/401823594.db2.gz VURWCPWYHYEDES-UHFFFAOYSA-N 1 0 310.401 2.015 50 0 DEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000025134359 401830825 /nfs/dbraw/zinc/83/08/25/401830825.db2.gz XEAIZCPTPNKNIM-UHFFFAOYSA-N 1 0 302.418 2.194 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078394310 401849682 /nfs/dbraw/zinc/84/96/82/401849682.db2.gz RDZMJLBXGYGMOE-AWEZNQCLSA-N 1 0 307.413 2.031 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCC(O)CC2)c2ccc(F)cc12 ZINC000028297178 401851681 /nfs/dbraw/zinc/85/16/81/401851681.db2.gz XAPWPPQSCQLIDG-MRXNPFEDSA-N 1 0 320.408 2.215 50 0 DEAARO Cc1noc(C(C)C)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030882506 401866454 /nfs/dbraw/zinc/86/64/54/401866454.db2.gz RVWHITOXZHIBDP-UHFFFAOYSA-N 1 0 314.389 2.464 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)c(OC)c1OC ZINC000030909698 401867145 /nfs/dbraw/zinc/86/71/45/401867145.db2.gz BQXWQFDYUFXZPY-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO Cn1cccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000079017619 401868855 /nfs/dbraw/zinc/86/88/55/401868855.db2.gz KBBKUPBVMZLOLN-UHFFFAOYSA-N 1 0 313.445 2.272 50 0 DEAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000077408380 401814774 /nfs/dbraw/zinc/81/47/74/401814774.db2.gz ASGHENBBKHIOKL-QGZVFWFLSA-N 1 0 312.417 2.315 50 0 DEAARO CN1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)C1=O ZINC000014969899 401814836 /nfs/dbraw/zinc/81/48/36/401814836.db2.gz WBAMQLCAEIFXCR-LJQANCHMSA-N 1 0 324.428 2.317 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000089091778 401934600 /nfs/dbraw/zinc/93/46/00/401934600.db2.gz RNISNQVUYMSVOP-KWQFWETISA-N 1 0 323.245 2.399 50 0 DEAARO O=C([C@@H]1Cc2ccccc2N1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000035686507 401900966 /nfs/dbraw/zinc/90/09/66/401900966.db2.gz GEAJNKIKQUDEOB-IBGZPJMESA-N 1 0 321.424 2.050 50 0 DEAARO COCCC[N@@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000036098187 401902582 /nfs/dbraw/zinc/90/25/82/401902582.db2.gz UHJSCEDDTVENQB-MRXNPFEDSA-N 1 0 312.454 2.040 50 0 DEAARO COCCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COCC(C)C ZINC000036097849 401902631 /nfs/dbraw/zinc/90/26/31/401902631.db2.gz LHRNECVZXHFYCR-INIZCTEOSA-N 1 0 313.438 2.460 50 0 DEAARO COCCN(Cc1cccs1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037803270 401917657 /nfs/dbraw/zinc/91/76/57/401917657.db2.gz UUJSTJFGPJVGLZ-OAHLLOKOSA-N 1 0 304.415 2.423 50 0 DEAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)N1CCc2sccc2C1 ZINC000044937964 401951079 /nfs/dbraw/zinc/95/10/79/401951079.db2.gz OSNXDINXCZDCHE-ZDUSSCGKSA-N 1 0 320.458 2.134 50 0 DEAARO COc1ncccc1NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000048309701 401997485 /nfs/dbraw/zinc/99/74/85/401997485.db2.gz UXZXTXAMAZPFOY-ZDUSSCGKSA-N 1 0 306.410 2.476 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@](C)(O)c2ccco2)C1 ZINC000089661878 401956374 /nfs/dbraw/zinc/95/63/74/401956374.db2.gz RTYQEGOOHRHHTM-BLLLJJGKSA-N 1 0 310.394 2.086 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)nc1 ZINC000048289678 401997888 /nfs/dbraw/zinc/99/78/88/401997888.db2.gz WYWTWOQUNMEPKA-VXGBXAGGSA-N 1 0 313.323 2.457 50 0 DEAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000090882527 401988333 /nfs/dbraw/zinc/98/83/33/401988333.db2.gz SBDPJYGTGUIFFF-GFCCVEGCSA-N 1 0 324.446 2.120 50 0 DEAARO C[C@H](CN1CCOCC1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000091531523 401996266 /nfs/dbraw/zinc/99/62/66/401996266.db2.gz XZEWJTNOOYIEMK-APWZRJJASA-N 1 0 318.461 2.153 50 0 DEAARO CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 ZINC000089314259 401942364 /nfs/dbraw/zinc/94/23/64/401942364.db2.gz ZHAXOPFNCKLCIM-MAUKXSAKSA-N 1 0 301.434 2.094 50 0 DEAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000044869020 401948893 /nfs/dbraw/zinc/94/88/93/401948893.db2.gz DGQDSAMNJAYMBZ-AWEZNQCLSA-N 1 0 319.357 2.018 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000095354949 402026964 /nfs/dbraw/zinc/02/69/64/402026964.db2.gz CQIGSKYPVFPMCN-QGZVFWFLSA-N 1 0 322.424 2.487 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1 ZINC000095361477 402027509 /nfs/dbraw/zinc/02/75/09/402027509.db2.gz NUKTWWWFNMEAFB-INIZCTEOSA-N 1 0 312.417 2.457 50 0 DEAARO Cn1cc([C@@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000095423302 402032385 /nfs/dbraw/zinc/03/23/85/402032385.db2.gz BCKMMLAXHHBIGE-CVEARBPZSA-N 1 0 313.401 2.490 50 0 DEAARO COC(=O)c1ccc2ccn(C[C@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000095510604 402033660 /nfs/dbraw/zinc/03/36/60/402033660.db2.gz BZFBKSKSMKXZNO-OAHLLOKOSA-N 1 0 314.385 2.272 50 0 DEAARO CC[C@H](C)N(C)CC[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000095939121 402034546 /nfs/dbraw/zinc/03/45/46/402034546.db2.gz OZRNELDDQGXAPV-GJZGRUSLSA-N 1 0 312.479 2.169 50 0 DEAARO O=C1CCCc2c(OC[C@H](O)C[NH+]3CCCCC3)cccc21 ZINC000095918190 402034758 /nfs/dbraw/zinc/03/47/58/402034758.db2.gz OKAQKLVJCXCSOA-CQSZACIVSA-N 1 0 303.402 2.431 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000095940727 402034975 /nfs/dbraw/zinc/03/49/75/402034975.db2.gz CEXUGJJANOSHRN-QWHCGFSZSA-N 1 0 300.443 2.383 50 0 DEAARO NC(=O)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004733 402038446 /nfs/dbraw/zinc/03/84/46/402038446.db2.gz HUCYDKQIXZSBCZ-UHFFFAOYSA-N 1 0 301.434 2.236 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2)N1CCOC[C@H]1C ZINC000095967931 402038439 /nfs/dbraw/zinc/03/84/39/402038439.db2.gz IUARLUTXGVFIRD-ZNMIVQPWSA-N 1 0 320.433 2.218 50 0 DEAARO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3cccn3)ccc2NC1=O ZINC000095985455 402042913 /nfs/dbraw/zinc/04/29/13/402042913.db2.gz NAQYSBSSCLVLEC-IUODEOHRSA-N 1 0 314.389 2.343 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc3[nH]ccc31)CC2 ZINC000151562169 402043343 /nfs/dbraw/zinc/04/33/43/402043343.db2.gz XXWNGHYOCCUSIP-ZDUSSCGKSA-N 1 0 311.389 2.010 50 0 DEAARO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)n1 ZINC000052862409 402047856 /nfs/dbraw/zinc/04/78/56/402047856.db2.gz NEFITRBOSXECHC-HIFRSBDPSA-N 1 0 305.353 2.430 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000053203121 402053121 /nfs/dbraw/zinc/05/31/21/402053121.db2.gz KYSFUYHONQZDAN-LLVKDONJSA-N 1 0 322.352 2.078 50 0 DEAARO Cc1noc(C2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)n1 ZINC000053639213 402057982 /nfs/dbraw/zinc/05/79/82/402057982.db2.gz UBJOLMGPACYBCK-HNNXBMFYSA-N 1 0 305.353 2.430 50 0 DEAARO CC[C@H]1CCCCN1Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055167584 402077045 /nfs/dbraw/zinc/07/70/45/402077045.db2.gz DJXAPZCTTIKKCW-HNNXBMFYSA-N 1 0 305.470 2.122 50 0 DEAARO c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000096410273 402079562 /nfs/dbraw/zinc/07/95/62/402079562.db2.gz DQEPFRKQAKGWJT-SNVBAGLBSA-N 1 0 302.407 2.021 50 0 DEAARO CN(Cc1ccco1)C(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000096420054 402082173 /nfs/dbraw/zinc/08/21/73/402082173.db2.gz PWOUTICAISGPPQ-QGZVFWFLSA-N 1 0 308.422 2.159 50 0 DEAARO Cc1cccc(N2CC[N@H+](CCOC[C@@H]3CCCO3)[C@H](C)C2)n1 ZINC000096421135 402082458 /nfs/dbraw/zinc/08/24/58/402082458.db2.gz VSIAKRANLXHSTH-SJORKVTESA-N 1 0 319.449 2.096 50 0 DEAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096421790 402082972 /nfs/dbraw/zinc/08/29/72/402082972.db2.gz DMAHSPSVYCMKQC-SJORKVTESA-N 1 0 305.418 2.447 50 0 DEAARO CC1CCC(O)(C[N@@H+]2CCCN(C3CCOCC3)CC2)CC1 ZINC000096483158 402093865 /nfs/dbraw/zinc/09/38/65/402093865.db2.gz MQCWAGXZZKBRQV-UHFFFAOYSA-N 1 0 310.482 2.114 50 0 DEAARO COc1ccc([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)cc1OC ZINC000122784242 402094662 /nfs/dbraw/zinc/09/46/62/402094662.db2.gz JSZWEVYKJAENHW-LBPRGKRZSA-N 1 0 306.406 2.365 50 0 DEAARO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000096487178 402094977 /nfs/dbraw/zinc/09/49/77/402094977.db2.gz UEFHDJIXVOGWSA-RHSMWYFYSA-N 1 0 302.418 2.195 50 0 DEAARO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)[C@H]2CCO[C@@H]21 ZINC000096493521 402096569 /nfs/dbraw/zinc/09/65/69/402096569.db2.gz CAZSVLHAQZIACV-SRABZTEZSA-N 1 0 301.434 2.454 50 0 DEAARO c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2CC2OCCO2)cc1 ZINC000096495492 402096770 /nfs/dbraw/zinc/09/67/70/402096770.db2.gz CCGSCZDECCVOGO-ROUUACIJSA-N 1 0 316.445 2.488 50 0 DEAARO Cc1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000058305500 402099564 /nfs/dbraw/zinc/09/95/64/402099564.db2.gz GBFABXJKBIXDEI-UHFFFAOYSA-N 1 0 324.428 2.072 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000097036847 402101416 /nfs/dbraw/zinc/10/14/16/402101416.db2.gz LIYNXKGJRAPLJU-MLGOLLRUSA-N 1 0 324.396 2.458 50 0 DEAARO Cn1cc(C[NH2+]CCNc2cccc(Br)c2)cn1 ZINC000097048128 402102574 /nfs/dbraw/zinc/10/25/74/402102574.db2.gz UXBSGGULBSNLCB-UHFFFAOYSA-N 1 0 309.211 2.384 50 0 DEAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000097051713 402103526 /nfs/dbraw/zinc/10/35/26/402103526.db2.gz MCOICCQRGCOYKB-CYBMUJFWSA-N 1 0 322.430 2.255 50 0 DEAARO CC(C)COc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cn1 ZINC000097052161 402103698 /nfs/dbraw/zinc/10/36/98/402103698.db2.gz IMVRQPMNWLHMPW-UHFFFAOYSA-N 1 0 306.410 2.286 50 0 DEAARO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1ncc(F)cn1 ZINC000097081349 402104505 /nfs/dbraw/zinc/10/45/05/402104505.db2.gz ARJOVEIWMSQNIV-MRXNPFEDSA-N 1 0 316.380 2.185 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)no1 ZINC000097112656 402108568 /nfs/dbraw/zinc/10/85/68/402108568.db2.gz IHWDAQDQJIKVRX-YPMHNXCESA-N 1 0 301.346 2.076 50 0 DEAARO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000097135373 402109981 /nfs/dbraw/zinc/10/99/81/402109981.db2.gz YEIHUHCKMNHAEX-QGZVFWFLSA-N 1 0 300.402 2.459 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000097142627 402111048 /nfs/dbraw/zinc/11/10/48/402111048.db2.gz PTNFNJSPAZPVQX-PBHICJAKSA-N 1 0 302.418 2.050 50 0 DEAARO Cc1cccc(-c2ncc(C[N@H+]3CCC(=O)NC[C@H]3C)cn2)c1 ZINC000063833685 402115596 /nfs/dbraw/zinc/11/55/96/402115596.db2.gz VLFRMIAPNXAAMH-CQSZACIVSA-N 1 0 310.401 2.162 50 0 DEAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)Nc1ccccc1C1CC1 ZINC000096148783 402062744 /nfs/dbraw/zinc/06/27/44/402062744.db2.gz RUDLHBIMNLZRPZ-CQSZACIVSA-N 1 0 317.433 2.390 50 0 DEAARO C[C@H](C1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1)[NH+](C)C ZINC000096151878 402062838 /nfs/dbraw/zinc/06/28/38/402062838.db2.gz BEMLEDSXJBJUNM-CYBMUJFWSA-N 1 0 316.449 2.140 50 0 DEAARO COc1ccccc1C[C@H](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000153250982 402135303 /nfs/dbraw/zinc/13/53/03/402135303.db2.gz DPSSECGOGNIJLU-KKUMJFAQSA-N 1 0 304.434 2.473 50 0 DEAARO CNc1nc(NCCc2ccc(OC)c(OC)c2)cc(C)[nH+]1 ZINC000098086747 402136353 /nfs/dbraw/zinc/13/63/53/402136353.db2.gz SUBPHWFTFXEVRB-UHFFFAOYSA-N 1 0 302.378 2.499 50 0 DEAARO O=C1[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000100025517 402139310 /nfs/dbraw/zinc/13/93/10/402139310.db2.gz XRDKPXBXIRFDDH-QZTJIDSGSA-N 1 0 320.392 2.304 50 0 DEAARO Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000100018854 402139380 /nfs/dbraw/zinc/13/93/80/402139380.db2.gz MFWNKCLOYSRHCJ-BTTYYORXSA-N 1 0 312.417 2.318 50 0 fda DEAARO CCc1nc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cs1 ZINC000066943886 402147668 /nfs/dbraw/zinc/14/76/68/402147668.db2.gz GLEGATIRLLXZQN-AWEZNQCLSA-N 1 0 307.463 2.335 50 0 DEAARO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1(C)C ZINC000097033377 286172252 /nfs/dbraw/zinc/17/22/52/286172252.db2.gz UNMWEGBAUOAWSP-UKTARXLSSA-N 1 0 303.468 2.135 50 0 DEAARO Cn1c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)nc2ccccc21 ZINC000066991316 402150073 /nfs/dbraw/zinc/15/00/73/402150073.db2.gz ZTOJPSYCWOFCFI-NSHDSACASA-N 1 0 312.339 2.300 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000123930320 402154793 /nfs/dbraw/zinc/15/47/93/402154793.db2.gz ITAYXGFEUMHWSA-ZJUUUORDSA-N 1 0 320.817 2.227 50 0 DEAARO C[C@H](Cn1ccnc1)[NH2+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000067954590 402180283 /nfs/dbraw/zinc/18/02/83/402180283.db2.gz IAKHOSKQVPIUHX-OAHLLOKOSA-N 1 0 314.433 2.231 50 0 DEAARO Cc1cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c(C)o1 ZINC000067506533 402160988 /nfs/dbraw/zinc/16/09/88/402160988.db2.gz KWNXYJBTADNZKP-CYBMUJFWSA-N 1 0 316.405 2.374 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cccs2)n1 ZINC000067613933 402165368 /nfs/dbraw/zinc/16/53/68/402165368.db2.gz DLQWHCNSHGAXJF-UHFFFAOYSA-N 1 0 305.407 2.120 50 0 DEAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2scc3c2OCCO3)C1 ZINC000067642189 402166116 /nfs/dbraw/zinc/16/61/16/402166116.db2.gz PNFJCHJFOCYWMF-GFCCVEGCSA-N 1 0 324.446 2.323 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000124899619 402202748 /nfs/dbraw/zinc/20/27/48/402202748.db2.gz 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/nfs/dbraw/zinc/22/36/00/402223600.db2.gz CGZPDVQMKHAYJQ-JKSUJKDBSA-N 1 0 312.417 2.088 50 0 DEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCNc1ncccn1 ZINC000069455750 402224721 /nfs/dbraw/zinc/22/47/21/402224721.db2.gz IOQHCYLPWDTBIK-HNNXBMFYSA-N 1 0 321.469 2.295 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C/c2nccs2)cn1 ZINC000069487962 402225965 /nfs/dbraw/zinc/22/59/65/402225965.db2.gz IJFHGAAQNFIBIQ-AATRIKPKSA-N 1 0 319.434 2.333 50 0 DEAARO c1ccc2c(c1)CC(N1CCC[N@@H+](C[C@H]3CCOC3)CC1)C2 ZINC000107126042 402226420 /nfs/dbraw/zinc/22/64/20/402226420.db2.gz WBXAVGBIUNGVND-MRXNPFEDSA-N 1 0 300.446 2.198 50 0 DEAARO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000069508651 402227689 /nfs/dbraw/zinc/22/76/89/402227689.db2.gz NRGZWSVNGRGALB-JYJNAYRXSA-N 1 0 311.447 2.442 50 0 DEAARO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1Cl ZINC000069518518 402228197 /nfs/dbraw/zinc/22/81/97/402228197.db2.gz OOJYQKAKOSNMSZ-UHFFFAOYSA-N 1 0 305.205 2.301 50 0 DEAARO c1coc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000069528799 402229011 /nfs/dbraw/zinc/22/90/11/402229011.db2.gz SROGSLIFRYXWSK-ZDUSSCGKSA-N 1 0 302.378 2.294 50 0 DEAARO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1OCC(C)C ZINC000125381383 402229256 /nfs/dbraw/zinc/22/92/56/402229256.db2.gz PWKDQWVDABYFRH-CYBMUJFWSA-N 1 0 306.406 2.164 50 0 DEAARO CCOc1ncccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069528955 402229349 /nfs/dbraw/zinc/22/93/49/402229349.db2.gz XQHMXZNDSZHAAR-LSDHHAIUSA-N 1 0 303.406 2.179 50 0 DEAARO CCCc1noc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000069528778 402229394 /nfs/dbraw/zinc/22/93/94/402229394.db2.gz QJGCMICSAYKJLJ-UONOGXRCSA-N 1 0 320.437 2.040 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1 ZINC000069538693 402230485 /nfs/dbraw/zinc/23/04/85/402230485.db2.gz KKZKFZSBAJKTLT-KBPBESRZSA-N 1 0 318.446 2.024 50 0 DEAARO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125555529 402239012 /nfs/dbraw/zinc/23/90/12/402239012.db2.gz ZTCYEIOJJQZTBJ-LBPRGKRZSA-N 1 0 315.442 2.476 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000069705579 402240163 /nfs/dbraw/zinc/24/01/63/402240163.db2.gz JMBQZXGDOQBVHF-LBPRGKRZSA-N 1 0 312.797 2.134 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2ccc(N(CC)CC)nc2)CC1 ZINC000069737167 402241382 /nfs/dbraw/zinc/24/13/82/402241382.db2.gz NCOJLGDBYWNNJX-UHFFFAOYSA-N 1 0 318.465 2.486 50 0 DEAARO CCc1nc(CN2CCC[C@H]([NH2+]CCc3cccs3)C2)no1 ZINC000069742552 402242648 /nfs/dbraw/zinc/24/26/48/402242648.db2.gz CXUMRIHMFGRMRC-ZDUSSCGKSA-N 1 0 320.462 2.490 50 0 DEAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000069778375 402243911 /nfs/dbraw/zinc/24/39/11/402243911.db2.gz QQGYEYRJPKVMQA-HNNXBMFYSA-N 1 0 317.477 2.307 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 ZINC000069809027 402244692 /nfs/dbraw/zinc/24/46/92/402244692.db2.gz IOCBIEIWMQQSNP-UHFFFAOYSA-N 1 0 306.406 2.180 50 0 DEAARO C[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069842888 402246955 /nfs/dbraw/zinc/24/69/55/402246955.db2.gz 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CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000070876835 402266160 /nfs/dbraw/zinc/26/61/60/402266160.db2.gz NVORABJVOFPQAQ-CQSZACIVSA-N 1 0 304.390 2.060 50 0 DEAARO CN(c1ncns1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195575144 402273273 /nfs/dbraw/zinc/27/32/73/402273273.db2.gz AITGDIMQCYICQI-UHFFFAOYSA-N 1 0 303.435 2.076 50 0 DEAARO Cc1cnc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071415659 402273930 /nfs/dbraw/zinc/27/39/30/402273930.db2.gz FABOWAUJQITPBP-KRWDZBQOSA-N 1 0 316.449 2.368 50 0 DEAARO Cc1ncc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071422240 402275004 /nfs/dbraw/zinc/27/50/04/402275004.db2.gz MICWCWNWMXBWPQ-KRWDZBQOSA-N 1 0 316.449 2.368 50 0 DEAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000215214280 402282370 /nfs/dbraw/zinc/28/23/70/402282370.db2.gz HOMRKKVUAZELOY-INIZCTEOSA-N 1 0 323.404 2.127 50 0 DEAARO C[C@@H]1C[N@@H+](C2CCN(c3ncnc4ccsc43)CC2)CCO1 ZINC000071821707 402282618 /nfs/dbraw/zinc/28/26/18/402282618.db2.gz BPTMXSBTOXDBCM-GFCCVEGCSA-N 1 0 318.446 2.381 50 0 DEAARO Cc1cnc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cn1 ZINC000071830739 402285152 /nfs/dbraw/zinc/28/51/52/402285152.db2.gz UJJANVFEISHPHP-KKUMJFAQSA-N 1 0 302.422 2.262 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)CCc2cc(OC)cc(OC)c2)CC1 ZINC000071850069 402288134 /nfs/dbraw/zinc/28/81/34/402288134.db2.gz MCVOGZUFKACVDC-UHFFFAOYSA-N 1 0 320.433 2.191 50 0 DEAARO c1n[nH]cc1-c1nc2c([nH]1)CN(Cc1nc3ccccc3[nH]1)CC2 ZINC000216447635 402288405 /nfs/dbraw/zinc/28/84/05/402288405.db2.gz VLAGNSZMICXIET-UHFFFAOYSA-N 1 0 319.372 2.234 50 0 DEAARO O=C(NC[C@@H]1CCCCO1)C1CC[NH+](Cc2ccco2)CC1 ZINC000216392170 402288577 /nfs/dbraw/zinc/28/85/77/402288577.db2.gz CVPAMTRPGVBZSO-HNNXBMFYSA-N 1 0 306.406 2.177 50 0 DEAARO CCc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)nc1 ZINC000216532883 402289231 /nfs/dbraw/zinc/28/92/31/402289231.db2.gz IFUWJRDCHKVANC-SFHVURJKSA-N 1 0 324.428 2.320 50 0 DEAARO O=C(Cc1cccnc1)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000223611093 402311636 /nfs/dbraw/zinc/31/16/36/402311636.db2.gz OYDWARJORYQYQL-INIZCTEOSA-N 1 0 301.434 2.395 50 0 DEAARO C[C@H]1CCN(c2cc(N3CCSCC3)ncn2)CCS1 ZINC000225492632 402318945 /nfs/dbraw/zinc/31/89/45/402318945.db2.gz HWWYUFXUSDIHHJ-LBPRGKRZSA-N 1 0 310.492 2.362 50 0 DEAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C)CC1 ZINC000229306003 402341883 /nfs/dbraw/zinc/34/18/83/402341883.db2.gz QTGBOJYAULTUPS-MAUKXSAKSA-N 1 0 307.482 2.051 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c2ccc3c(c2)OCO3)c1 ZINC000229569277 402343933 /nfs/dbraw/zinc/34/39/33/402343933.db2.gz UGYONDWQNZLQJA-UMVBOHGHSA-N 1 0 317.389 2.193 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C[C@@H](O)c1cccc(Br)c1 ZINC000229807394 402345622 /nfs/dbraw/zinc/34/56/22/402345622.db2.gz BCEYLZKFPCHQHJ-SMDDNHRTSA-N 1 0 313.239 2.118 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000229869840 402345625 /nfs/dbraw/zinc/34/56/25/402345625.db2.gz HSQYCJAYAZFMLX-GOEBONIOSA-N 1 0 301.390 2.105 50 0 DEAARO COC(=O)c1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000230198440 402349359 /nfs/dbraw/zinc/34/93/59/402349359.db2.gz XGVSEFOHIFQBER-IAGOWNOFSA-N 1 0 319.401 2.495 50 0 DEAARO Cc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000177118530 402371530 /nfs/dbraw/zinc/37/15/30/402371530.db2.gz ZUHINPLFBNHIQD-UHFFFAOYSA-N 1 0 303.450 2.059 50 0 DEAARO CCCc1cc(C[N@H+](C)CCC(=O)Nc2cccnc2)[nH]n1 ZINC000244828487 402450062 /nfs/dbraw/zinc/45/00/62/402450062.db2.gz TWXQCMKKLWGEHE-UHFFFAOYSA-N 1 0 301.394 2.218 50 0 DEAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237544027 402412035 /nfs/dbraw/zinc/41/20/35/402412035.db2.gz ITOHGRODYAARSN-BBWFWOEESA-N 1 0 316.445 2.468 50 0 DEAARO Cc1cnn(CCC[NH+]2CCC([C@H](O)c3ccccn3)CC2)c1 ZINC000244817205 402450373 /nfs/dbraw/zinc/45/03/73/402450373.db2.gz SWADIKHCTYVHGJ-SFHVURJKSA-N 1 0 314.433 2.422 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F ZINC000237944910 402427057 /nfs/dbraw/zinc/42/70/57/402427057.db2.gz JVOFDGHQEVZUSE-LBPRGKRZSA-N 1 0 316.323 2.468 50 0 DEAARO OC1(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)CCOCC1 ZINC000238139318 402439273 /nfs/dbraw/zinc/43/92/73/402439273.db2.gz OBQVHHIXTTVOTQ-UHFFFAOYSA-N 1 0 309.793 2.247 50 0 DEAARO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1(C)C ZINC000241946737 402443763 /nfs/dbraw/zinc/44/37/63/402443763.db2.gz UNMWEGBAUOAWSP-GUIRCDHDSA-N 1 0 303.468 2.135 50 0 DEAARO O=C(N[C@H]1CC[C@H](O)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000243901146 402446621 /nfs/dbraw/zinc/44/66/21/402446621.db2.gz AYSXTUFEPYKNDX-BRWVUGGUSA-N 1 0 302.418 2.187 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000178521467 402507158 /nfs/dbraw/zinc/50/71/58/402507158.db2.gz ZSMVEGONGKJRDS-JTQLQIEISA-N 1 0 305.765 2.416 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000178538178 402509334 /nfs/dbraw/zinc/50/93/34/402509334.db2.gz ZANDAMTYNAQRJI-AWEZNQCLSA-N 1 0 311.385 2.081 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000178969250 402560601 /nfs/dbraw/zinc/56/06/01/402560601.db2.gz SITGWOCMUOMOOO-LLVKDONJSA-N 1 0 318.808 2.412 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188456905 402520339 /nfs/dbraw/zinc/52/03/39/402520339.db2.gz DTCGXONNPAXQKY-LLVKDONJSA-N 1 0 318.808 2.268 50 0 DEAARO C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246481217 402533028 /nfs/dbraw/zinc/53/30/28/402533028.db2.gz OSIRDVOEJJKGLI-NVXWUHKLSA-N 1 0 306.475 2.431 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000248088960 402582271 /nfs/dbraw/zinc/58/22/71/402582271.db2.gz BVMFNMPYQOYFPJ-ZIAGYGMSSA-N 1 0 302.374 2.114 50 0 DEAARO Cn1cc([C@@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)cn1 ZINC000190237233 402586362 /nfs/dbraw/zinc/58/63/62/402586362.db2.gz NVONXHKIWUUOBT-OAHLLOKOSA-N 1 0 305.422 2.143 50 0 DEAARO Cn1cc([C@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)cn1 ZINC000190237253 402586671 /nfs/dbraw/zinc/58/66/71/402586671.db2.gz NVONXHKIWUUOBT-HNNXBMFYSA-N 1 0 305.422 2.143 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190736197 402621158 /nfs/dbraw/zinc/62/11/58/402621158.db2.gz JHRZMWQUTBVALW-HUUCEWRRSA-N 1 0 311.470 2.460 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@H]1Cn1cncn1)c1cc(F)ccc1F ZINC000247800308 402576448 /nfs/dbraw/zinc/57/64/48/402576448.db2.gz VAQZPTQSANZBQO-BBRMVZONSA-N 1 0 322.359 2.144 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000249693925 402638607 /nfs/dbraw/zinc/63/86/07/402638607.db2.gz OEIODNCCLAXJKZ-JFIYKMOQSA-N 1 0 314.429 2.465 50 0 DEAARO CCN(CCC[NH+](C)C)C(=O)Nc1cccnc1N1CCCC1 ZINC000252538094 402658292 /nfs/dbraw/zinc/65/82/92/402658292.db2.gz MQSJIBIXIOYXOR-UHFFFAOYSA-N 1 0 319.453 2.487 50 0 DEAARO c1cc(CN2CCC3(CC[N@H+](Cc4ccon4)C3)CC2)no1 ZINC000253419072 402664879 /nfs/dbraw/zinc/66/48/79/402664879.db2.gz HYMCCZODQZFSLQ-UHFFFAOYSA-N 1 0 302.378 2.151 50 0 DEAARO CCn1nccc1CC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000253421533 402665431 /nfs/dbraw/zinc/66/54/31/402665431.db2.gz WZUCTIQXDLNRLX-QGZVFWFLSA-N 1 0 312.417 2.183 50 0 DEAARO CC(C)CCO[C@@H]1CCN([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000253427727 402665797 /nfs/dbraw/zinc/66/57/97/402665797.db2.gz GLIUTYVBIDUSKT-WDEREUQCSA-N 1 0 313.833 2.305 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cc(Br)cs2)C1 ZINC000255390800 402686749 /nfs/dbraw/zinc/68/67/49/402686749.db2.gz ZQCBOOBMQICRDI-IYABHPQVSA-N 1 0 315.236 2.331 50 0 DEAARO CCn1ccc(C(=O)N2CCC(Cn3c(C)c[nH+]c3C)CC2)n1 ZINC000257189013 402701062 /nfs/dbraw/zinc/70/10/62/402701062.db2.gz HCPMYZPFVBEOEX-UHFFFAOYSA-N 1 0 315.421 2.269 50 0 DEAARO Cn1nccc1C(=O)N1CCCn2ccnc2[C@@H]1c1ccccc1 ZINC000257191764 402701711 /nfs/dbraw/zinc/70/17/11/402701711.db2.gz RGOIYPIASGCEHI-INIZCTEOSA-N 1 0 321.384 2.252 50 0 DEAARO Cc1cnc(-c2ccccc2)n1C1CCN(S(C)(=O)=O)CC1 ZINC000257191903 402701863 /nfs/dbraw/zinc/70/18/63/402701863.db2.gz RPGPBBHLONAOMN-UHFFFAOYSA-N 1 0 319.430 2.455 50 0 DEAARO CC(=O)N1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CC(C)C)CC2 ZINC000257190899 402701977 /nfs/dbraw/zinc/70/19/77/402701977.db2.gz OEAJTQAFSCVYOQ-OAHLLOKOSA-N 1 0 320.437 2.410 50 0 DEAARO C[C@@H](NS(=O)(=O)c1ccco1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192866918 402754567 /nfs/dbraw/zinc/75/45/67/402754567.db2.gz RFDWQYVBKAEBNN-DOMZBBRYSA-N 1 0 308.403 2.249 50 0 DEAARO Cn1cccc1[C@@H]1CCCCN1CC(=O)NC(=O)NC(C)(C)C ZINC000175137729 402782398 /nfs/dbraw/zinc/78/23/98/402782398.db2.gz AXJDLRQABREYBW-AWEZNQCLSA-N 1 0 320.437 2.176 50 0 DEAARO Cc1nsc(NCc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000195544011 402850877 /nfs/dbraw/zinc/85/08/77/402850877.db2.gz JAQAAHLDOBSGEX-UHFFFAOYSA-N 1 0 318.446 2.415 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCc3c2cccc3F)C1 ZINC000195570371 402850940 /nfs/dbraw/zinc/85/09/40/402850940.db2.gz ZXNGAGFPNCGSPP-WBMJQRKESA-N 1 0 305.397 2.406 50 0 DEAARO C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CCCC[C@H]2O)ccc1F ZINC000280721778 403030178 /nfs/dbraw/zinc/03/01/78/403030178.db2.gz HKOMOPRQFYDEGL-WMLDXEAASA-N 1 0 322.424 2.445 50 0 DEAARO CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)n2)cc1 ZINC000278041905 403282118 /nfs/dbraw/zinc/28/21/18/403282118.db2.gz XPRBXRSYJSSOFQ-QWHCGFSZSA-N 1 0 317.414 2.034 50 0 DEAARO COc1ccc2[nH]c(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)nc2c1 ZINC000299759632 403567000 /nfs/dbraw/zinc/56/70/00/403567000.db2.gz MIBNKYJJCICNSB-HNNXBMFYSA-N 1 0 316.405 2.062 50 0 DEAARO CCCCC[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299769055 403569593 /nfs/dbraw/zinc/56/95/93/403569593.db2.gz MDJPULDJDKMXNG-UHFFFAOYSA-N 1 0 300.410 2.291 50 0 DEAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)C(=O)CCc1ccccc1 ZINC000299767308 403569695 /nfs/dbraw/zinc/56/96/95/403569695.db2.gz FYDNKCWITXNITA-MRXNPFEDSA-N 1 0 316.445 2.377 50 0 DEAARO CCCc1ccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)o1 ZINC000299769980 403570880 /nfs/dbraw/zinc/57/08/80/403570880.db2.gz PUXMVVOSOUXKLI-JKSUJKDBSA-N 1 0 302.378 2.169 50 0 DEAARO O=C(NCCCn1cc(Cl)cn1)C1([NH+]2CCCC2)CCCC1 ZINC000299778728 403571611 /nfs/dbraw/zinc/57/16/11/403571611.db2.gz NYUVYRZQIOOKIN-UHFFFAOYSA-N 1 0 324.856 2.451 50 0 DEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(Cl)cc1F ZINC000299786289 403574463 /nfs/dbraw/zinc/57/44/63/403574463.db2.gz KPRWJPZTHBSRLF-STQMWFEESA-N 1 0 315.776 2.320 50 0 DEAARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1Cl ZINC000299788078 403575787 /nfs/dbraw/zinc/57/57/87/403575787.db2.gz RMLMWDSLWPMNMO-CYBMUJFWSA-N 1 0 323.824 2.108 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1nc2ccccc2o1 ZINC000299787890 403575805 /nfs/dbraw/zinc/57/58/05/403575805.db2.gz SWIGWRGUSYQOIH-CYBMUJFWSA-N 1 0 301.390 2.361 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCOCC2)C12CCCC2 ZINC000096493395 286384448 /nfs/dbraw/zinc/38/44/48/286384448.db2.gz BLZHLCFVNYYDPX-JKSUJKDBSA-N 1 0 310.482 2.425 50 0 DEAARO COCC[N@H+](C[C@H]1CC=CCC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000342127521 404385327 /nfs/dbraw/zinc/38/53/27/404385327.db2.gz KVKNEEXJZYRXOS-JKSUJKDBSA-N 1 0 315.479 2.116 50 0 DEAARO CC(C)(C)n1cc(C[NH2+]C[C@](C)(CO)c2ccccc2)nn1 ZINC000342211156 404445060 /nfs/dbraw/zinc/44/50/60/404445060.db2.gz MYOYTEFSBZRSGO-QGZVFWFLSA-N 1 0 302.422 2.073 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCSc1nnnn1CC(F)(F)F ZINC000330032603 404532050 /nfs/dbraw/zinc/53/20/50/404532050.db2.gz PQSMVHITSUUFEI-VIFPVBQESA-N 1 0 309.361 2.202 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)NCCSc1ccc(Cl)cc1 ZINC000416853893 404937111 /nfs/dbraw/zinc/93/71/11/404937111.db2.gz ARWWLYJMZMEQPB-LLVKDONJSA-N 1 0 313.854 2.435 50 0 DEAARO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc(C)n[nH]1 ZINC000426398966 405357638 /nfs/dbraw/zinc/35/76/38/405357638.db2.gz CLRADFRPMQCERU-UHFFFAOYSA-N 1 0 307.442 2.126 50 0 DEAARO [NH3+]CCc1nnc(SC[C@@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426474092 405362576 /nfs/dbraw/zinc/36/25/76/405362576.db2.gz FEACTRDFISBFOR-LLVKDONJSA-N 1 0 322.409 2.036 50 0 DEAARO Cc1cnccc1CNC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426667707 405373844 /nfs/dbraw/zinc/37/38/44/405373844.db2.gz YBRWNDKYUOYNLO-UHFFFAOYSA-N 1 0 319.792 2.311 50 0 DEAARO Cc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1OCC[NH3+] ZINC000426705680 405375035 /nfs/dbraw/zinc/37/50/35/405375035.db2.gz KCZZXBRBZXSMAU-GFCCVEGCSA-N 1 0 303.362 2.154 50 0 DEAARO Cc1ccc(C(=O)NCc2ccc3[nH]cnc3c2)cc1OCC[NH3+] ZINC000426699887 405375083 /nfs/dbraw/zinc/37/50/83/405375083.db2.gz HMUZRRZNGTYOKG-UHFFFAOYSA-N 1 0 324.384 2.139 50 0 DEAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccnc(OCc2ccccc2)c1 ZINC000568153784 406198334 /nfs/dbraw/zinc/19/83/34/406198334.db2.gz WHGPGZUBJLVLHW-MRXNPFEDSA-N 1 0 311.385 2.142 50 0 DEAARO COCc1ncc(C)n1CCNC(=O)c1cccc2[nH]ccc21 ZINC000575554468 406812598 /nfs/dbraw/zinc/81/25/98/406812598.db2.gz DRVSBAFKQLLXHS-UHFFFAOYSA-N 1 0 312.373 2.249 50 0 DEAARO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000130989578 196129518 /nfs/dbraw/zinc/12/95/18/196129518.db2.gz LJXGPEUDAOHAEZ-SNVBAGLBSA-N 1 0 309.460 2.335 50 0 DEAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000131096669 196139798 /nfs/dbraw/zinc/13/97/98/196139798.db2.gz GTVGHBNLNADGTM-LLVKDONJSA-N 1 0 302.403 2.159 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131733406 196194711 /nfs/dbraw/zinc/19/47/11/196194711.db2.gz VYOILTIPZJEJAF-CMPLNLGQSA-N 1 0 302.827 2.149 50 0 DEAARO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCN1C(=O)CCC1=O ZINC000132503265 196260217 /nfs/dbraw/zinc/26/02/17/196260217.db2.gz SZEZYKBXCUCFAK-GFCCVEGCSA-N 1 0 308.809 2.352 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 ZINC000299739562 229372509 /nfs/dbraw/zinc/37/25/09/229372509.db2.gz QAUSXXHPBUBGCS-OLZOCXBDSA-N 1 0 310.825 2.442 50 0 DEAARO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000299738951 229372881 /nfs/dbraw/zinc/37/28/81/229372881.db2.gz ISZLMNGRRCZESC-PVAVHDDUSA-N 1 0 302.418 2.270 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000299740032 229374028 /nfs/dbraw/zinc/37/40/28/229374028.db2.gz USUBPDXBIJMQGP-MJBXVCDLSA-N 1 0 302.374 2.206 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1Cl ZINC000299747821 229391327 /nfs/dbraw/zinc/39/13/27/229391327.db2.gz FEEHEASFNLQPJT-NWDGAFQWSA-N 1 0 316.854 2.396 50 0 DEAARO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045744792 424817516 /nfs/dbraw/zinc/81/75/16/424817516.db2.gz VABUYVJEGUMGJL-OAHLLOKOSA-N 1 0 310.463 2.395 50 0 DEAARO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000047104776 424823680 /nfs/dbraw/zinc/82/36/80/424823680.db2.gz WYOFOCMXEVQCFM-KFWWJZLASA-N 1 0 318.421 2.456 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccco2)n1)C1CC1 ZINC000047922502 424828675 /nfs/dbraw/zinc/82/86/75/424828675.db2.gz AFUDULDXIZKTHL-ZDUSSCGKSA-N 1 0 319.430 2.402 50 0 DEAARO NC(=O)[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048034867 424829653 /nfs/dbraw/zinc/82/96/53/424829653.db2.gz ATPYFWOLHBULGJ-NSHDSACASA-N 1 0 305.765 2.302 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cn[nH]c1 ZINC000044966341 424814874 /nfs/dbraw/zinc/81/48/74/424814874.db2.gz WNZMMSVLHDQQOP-CYBMUJFWSA-N 1 0 303.366 2.351 50 0 DEAARO CCOC(=O)c1cnc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)nc1C ZINC000108380712 424851448 /nfs/dbraw/zinc/85/14/48/424851448.db2.gz SWUSPDHTYUCBGW-WFASDCNBSA-N 1 0 320.437 2.128 50 0 DEAARO COCOc1ccc(OC)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000108369215 424851048 /nfs/dbraw/zinc/85/10/48/424851048.db2.gz NDTMUZAEZHSZQM-HOCLYGCPSA-N 1 0 320.433 2.346 50 0 DEAARO Cc1cn2nc(N[C@@H]3CC[N@@H+](CCSC(C)C)C3)ccc2n1 ZINC000408518943 424934401 /nfs/dbraw/zinc/93/44/01/424934401.db2.gz LQDBBZJOFOQWDF-CQSZACIVSA-N 1 0 319.478 2.666 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCn1cccn1 ZINC000257198887 424888895 /nfs/dbraw/zinc/88/88/95/424888895.db2.gz KUPGUSGRPUNXBB-DLBZAZTESA-N 1 0 318.465 2.386 50 0 biogenic DEAARO CC1(C)CC[C@@H]([N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000253426836 276114904 /nfs/dbraw/zinc/11/49/04/276114904.db2.gz BDIDOKLQSMPTIR-MRXNPFEDSA-N 1 0 307.482 2.195 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)[C@H](c1ccc(F)cc1)N(C)C ZINC000095390460 279029251 /nfs/dbraw/zinc/02/92/51/279029251.db2.gz GIFKVYCVEGYERL-HNNXBMFYSA-N 1 0 309.429 2.275 50 0 DEAARO C[C@H](c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1)N1CCOCC1 ZINC000095352531 279595246 /nfs/dbraw/zinc/59/52/46/279595246.db2.gz QNZFHBGFEJJAIE-CYBMUJFWSA-N 1 0 312.417 2.116 50 0 DEAARO C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC([NH3+])CC1 ZINC000237568808 279769870 /nfs/dbraw/zinc/76/98/70/279769870.db2.gz WWKGZPPOOPCYOK-AWEZNQCLSA-N 1 0 301.434 2.168 50 0 DEAARO Cc1cc(N2CCCN(c3ncnc4c3CCC4)CC2)cc[nH+]1 ZINC000077438790 280550109 /nfs/dbraw/zinc/55/01/09/280550109.db2.gz XRFQBXGFGXTHGL-UHFFFAOYSA-N 1 0 309.417 2.385 50 0 DEAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cccn1C ZINC000252536399 288275803 /nfs/dbraw/zinc/27/58/03/288275803.db2.gz ILZSCCLEMIFZQG-GJZGRUSLSA-N 1 0 321.465 2.111 50 0 DEAARO Cc1nc2cc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)ccc2s1 ZINC000091656751 282048665 /nfs/dbraw/zinc/04/86/65/282048665.db2.gz GIDDTXLUPMWEDQ-OLZOCXBDSA-N 1 0 301.415 2.414 50 0 DEAARO C[NH+](C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012591402 282059056 /nfs/dbraw/zinc/05/90/56/282059056.db2.gz QTIHKEKALCAHGY-CYBMUJFWSA-N 1 0 318.465 2.465 50 0 DEAARO C[NH+](C)CC[C@@H]1CCCCN1S(=O)(=O)c1ccsc1 ZINC000077354793 289179984 /nfs/dbraw/zinc/17/99/84/289179984.db2.gz YYGLRIVSLQYNIH-LBPRGKRZSA-N 1 0 302.465 2.243 50 0 DEAARO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@](C)(O)CC1 ZINC000349957035 289577316 /nfs/dbraw/zinc/57/73/16/289577316.db2.gz YBTNIEOCQGCNEH-WBVHZDCISA-N 1 0 311.470 2.197 50 0 DEAARO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H](C)[NH3+])cc1OC ZINC000157318987 295122287 /nfs/dbraw/zinc/12/22/87/295122287.db2.gz NPDKPFAYDSKCMY-DZGCQCFKSA-N 1 0 320.433 2.365 50 0 DEAARO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1)C(C)(C)C ZINC000328597185 298052484 /nfs/dbraw/zinc/05/24/84/298052484.db2.gz FISQJCFVGMDVID-KGLIPLIRSA-N 1 0 309.454 2.322 50 0 DEAARO Cc1nc(CN(C)C(=O)NC(C)(C)C[NH+]2CCCCCC2)no1 ZINC000534579846 334288995 /nfs/dbraw/zinc/28/89/95/334288995.db2.gz CNBPKDVDMSBRJR-UHFFFAOYSA-N 1 0 323.441 2.174 50 0 DEAARO COCCN(Cc1ccc(C)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534585872 334291929 /nfs/dbraw/zinc/29/19/29/334291929.db2.gz KZKQZZSQWMGDTO-QGZVFWFLSA-N 1 0 319.449 2.247 50 0 DEAARO COC[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1ccccn1 ZINC000534629395 334305160 /nfs/dbraw/zinc/30/51/60/334305160.db2.gz ICOZBTANZRAWFB-MRXNPFEDSA-N 1 0 305.422 2.151 50 0 DEAARO CN(Cc1ncc[nH]1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000534644253 334306557 /nfs/dbraw/zinc/30/65/57/334306557.db2.gz LSYNCRKLAKOJAG-UHFFFAOYSA-N 1 0 307.442 2.203 50 0 DEAARO COc1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1CO ZINC000097103157 337382309 /nfs/dbraw/zinc/38/23/09/337382309.db2.gz BENCBVOSAOUAMT-UPJWGTAASA-N 1 0 306.406 2.387 50 0 DEAARO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)sc1C ZINC000097234965 337382487 /nfs/dbraw/zinc/38/24/87/337382487.db2.gz DWXDSTZBMQICNF-GFCCVEGCSA-N 1 0 302.465 2.033 50 0 DEAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000241795475 533900940 /nfs/dbraw/zinc/90/09/40/533900940.db2.gz RZMKZQHZXVDDCL-QWHCGFSZSA-N 1 0 322.453 2.098 50 0 DEAARO O=C(CN1CCC[N@@H+]2CCC[C@H]2C1)N1CCCc2ccccc21 ZINC000240786103 534531435 /nfs/dbraw/zinc/53/14/35/534531435.db2.gz IAJWTMAVYYPBMP-KRWDZBQOSA-N 1 0 313.445 2.136 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000237694003 534803194 /nfs/dbraw/zinc/80/31/94/534803194.db2.gz QCCPPUOAZNBNAM-DOTOQJQBSA-N 1 0 316.445 2.287 50 0 DEAARO Cn1ncc2c1nc(C(C)(C)C)nc2N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244716121 534836097 /nfs/dbraw/zinc/83/60/97/534836097.db2.gz LIVJYDZNLVANMU-PHIMTYICSA-N 1 0 302.426 2.343 50 0 DEAARO C/C=C\c1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000429641280 526343187 /nfs/dbraw/zinc/34/31/87/526343187.db2.gz SQEXEQQOZUENCT-MFBWXBCUSA-N 1 0 304.390 2.057 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000237990709 527365436 /nfs/dbraw/zinc/36/54/36/527365436.db2.gz LCEXVUASRCQHOV-KBVBSXBZSA-N 1 0 317.216 2.270 50 0 DEAARO CCCCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000408514190 528190470 /nfs/dbraw/zinc/19/04/70/528190470.db2.gz LYQHRQCLFHGWFG-UHFFFAOYSA-N 1 0 309.498 2.489 50 0 DEAARO CCOC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000408518089 529028022 /nfs/dbraw/zinc/02/80/22/529028022.db2.gz TUXDBQVZPFZECF-ROUUACIJSA-N 1 0 316.445 2.394 50 0 DEAARO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](O)C2CCCCC2)c1 ZINC000189714068 536031938 /nfs/dbraw/zinc/03/19/38/536031938.db2.gz CSVGGPFQGFEVOL-KRWDZBQOSA-N 1 0 304.434 2.306 50 0 DEAARO CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccco1 ZINC000206733718 563637866 /nfs/dbraw/zinc/63/78/66/563637866.db2.gz ZIMDUYUVVMFLAL-UHFFFAOYSA-N 1 0 315.377 2.378 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000186206669 633960543 /nfs/dbraw/zinc/96/05/43/633960543.db2.gz RUPXBAOYHBTMFG-CYBMUJFWSA-N 1 0 302.418 2.343 50 0 DEAARO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[C@H](OC(F)F)C2)C1 ZINC000888099974 635555292 /nfs/dbraw/zinc/55/52/92/635555292.db2.gz MEAHHNUIDCLDPY-UPJWGTAASA-N 1 0 319.396 2.178 50 0 DEAARO COc1cccc2c1OC[C@@H]([NH2+]C1CSCCSC1)C2 ZINC000011818695 635787213 /nfs/dbraw/zinc/78/72/13/635787213.db2.gz XDHLMLASANZOPF-LBPRGKRZSA-N 1 0 311.472 2.437 50 0 DEAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C)CC2)c1 ZINC000012836198 636089901 /nfs/dbraw/zinc/08/99/01/636089901.db2.gz YFLJZWVMDNYOEO-UHFFFAOYSA-N 1 0 318.417 2.404 50 0 DEAARO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012300962 636130486 /nfs/dbraw/zinc/13/04/86/636130486.db2.gz DEBIDGVOKITGPA-HNNXBMFYSA-N 1 0 304.438 2.493 50 0 DEAARO OCC[NH+](CCO)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000012301236 636133658 /nfs/dbraw/zinc/13/36/58/636133658.db2.gz VMIWQOSPEHLILQ-UHFFFAOYSA-N 1 0 311.385 2.017 50 0 DEAARO COCc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000067673974 640603324 /nfs/dbraw/zinc/60/33/24/640603324.db2.gz HMPZOYMKRKOKBB-GOSISDBHSA-N 1 0 304.434 2.417 50 0 DEAARO CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014745800 683848890 /nfs/dbraw/zinc/84/88/90/683848890.db2.gz ZRYPGZAVQBIBDP-AWEZNQCLSA-N 1 0 318.465 2.242 50 0 DEAARO COc1cc(C[NH2+]Cc2cccnc2N(C)C)cc2c1OCO2 ZINC000014976071 683849957 /nfs/dbraw/zinc/84/99/57/683849957.db2.gz HNXOQMLAYZYPBV-UHFFFAOYSA-N 1 0 315.373 2.175 50 0 DEAARO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000084868389 684007444 /nfs/dbraw/zinc/00/74/44/684007444.db2.gz OHFWTRBFIOOZOM-LPQFERQCSA-N 1 0 315.417 2.400 50 0 DEAARO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000159831267 684321632 /nfs/dbraw/zinc/32/16/32/684321632.db2.gz VPEWPSCRBAQFJX-HNNXBMFYSA-N 1 0 324.446 2.090 50 0 DEAARO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000585129967 790325036 /nfs/dbraw/zinc/32/50/36/790325036.db2.gz DAAILUNEVRECPR-OAHLLOKOSA-N 1 0 316.445 2.143 50 0 DEAARO CO[C@H]1C(=O)N(CC2CC2)C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000581802983 777833666 /nfs/dbraw/zinc/83/36/66/777833666.db2.gz QCULMDXPJXQKLU-INIZCTEOSA-N 1 0 318.417 2.190 50 0 DEAARO Cc1cc(S(=O)(=O)NCc2cncn2C2CC2)c(C)s1 ZINC000825312734 783627108 /nfs/dbraw/zinc/62/71/08/783627108.db2.gz DGWGPJZFDQJFCQ-UHFFFAOYSA-N 1 0 311.432 2.375 50 0 DEAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccoc2)C1)C1CCOCC1 ZINC000827763595 783689249 /nfs/dbraw/zinc/68/92/49/783689249.db2.gz BSZLVJWBULDRMR-CQSZACIVSA-N 1 0 306.406 2.034 50 0 DEAARO COCC(=O)N1CCC(Cn2c(C)c[nH+]c2C2CCC2)CC1 ZINC000581808312 784786281 /nfs/dbraw/zinc/78/62/81/784786281.db2.gz MPFLMCSIXWFCBH-UHFFFAOYSA-N 1 0 305.422 2.344 50 0 DEAARO Cn1c(Cl)ncc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000585121289 789707098 /nfs/dbraw/zinc/70/70/98/789707098.db2.gz KYEGCAVHNMDSLT-UHFFFAOYSA-N 1 0 306.797 2.430 50 0 DEAARO C[NH+](C)CCc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1 ZINC000585122379 789708814 /nfs/dbraw/zinc/70/88/14/789708814.db2.gz YYRXBHDXAXLHAO-UHFFFAOYSA-N 1 0 300.362 2.303 50 0 DEAARO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](OC)CC1 ZINC000952847795 792775809 /nfs/dbraw/zinc/77/58/09/792775809.db2.gz DBWBPWCTWYSEQC-WBVHZDCISA-N 1 0 319.449 2.459 50 0 DEAARO COC(=O)CCc1cncc(NC(=O)[C@@]2([NH3+])CCC[C@H](C)C2)c1 ZINC000952849692 792776142 /nfs/dbraw/zinc/77/61/42/792776142.db2.gz QBMXPLKWGFQJAI-YVEFUNNKSA-N 1 0 319.405 2.033 50 0 DEAARO COC(=O)CCc1cncc(NC(=O)[C@@]2([NH3+])CCC[C@@H](C)C2)c1 ZINC000952849691 792776982 /nfs/dbraw/zinc/77/69/82/792776982.db2.gz QBMXPLKWGFQJAI-SJKOYZFVSA-N 1 0 319.405 2.033 50 0 DEAARO [NH3+]C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccs1 ZINC000952879431 792793667 /nfs/dbraw/zinc/79/36/67/792793667.db2.gz QNVMMEWNGUFPLY-GFCCVEGCSA-N 1 0 308.428 2.217 50 0 DEAARO COc1ncc(C[NH2+]CCOc2cccc3cccnc32)cn1 ZINC000952968387 792849273 /nfs/dbraw/zinc/84/92/73/792849273.db2.gz JNONKGDRKUXUIE-UHFFFAOYSA-N 1 0 310.357 2.202 50 0 DEAARO Cc1c(NC(=O)CC(C)C)cccc1NC(=O)[C@@H]1C=CC[NH2+]1 ZINC000952991555 792852051 /nfs/dbraw/zinc/85/20/51/792852051.db2.gz UHRCGNPUBLUBNP-HNNXBMFYSA-N 1 0 301.390 2.446 50 0 DEAARO Cc1c(NC(=O)CC2CC[NH2+]CC2)cccc1C(=O)N(C)C ZINC000952982164 792859971 /nfs/dbraw/zinc/85/99/71/792859971.db2.gz NUKNSMWTKLZWNR-UHFFFAOYSA-N 1 0 303.406 2.025 50 0 DEAARO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1OC(C)C ZINC001529126311 1070869781 /nfs/dbraw/zinc/86/97/81/1070869781.db2.gz AORIYBJQMKSJDS-HZPDHXFCSA-N 1 0 323.433 2.048 50 0 DEAARO CCSCC[N@@H+]1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 ZINC001529173695 1070902918 /nfs/dbraw/zinc/90/29/18/1070902918.db2.gz OIZACJVUZUYXAI-DLBZAZTESA-N 1 0 309.475 2.028 50 0 DEAARO Cc1nc(CC(=O)Nc2ccnn2C2CC[NH+](C)CC2)cs1 ZINC001506398042 1061935614 /nfs/dbraw/zinc/93/56/14/1061935614.db2.gz SPRTXWKCIWMTBA-UHFFFAOYSA-N 1 0 319.434 2.096 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)c2ccncc2Cl)CC1 ZINC001506404023 1061945819 /nfs/dbraw/zinc/94/58/19/1061945819.db2.gz FAHZDESNJXXVLY-UHFFFAOYSA-N 1 0 319.796 2.451 50 0 DEAARO CC(C)Cn1cncc1C[NH+]1CCC(c2nncn2C)CC1 ZINC001506431653 1061979051 /nfs/dbraw/zinc/97/90/51/1061979051.db2.gz TZOACIGPGDJOOM-UHFFFAOYSA-N 1 0 302.426 2.047 50 0 DEAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCCN1C ZINC000823777557 1090697463 /nfs/dbraw/zinc/69/74/63/1090697463.db2.gz GURFCPYHSOMHCT-LBPRGKRZSA-N 1 0 316.854 2.411 50 0 DEAARO Cc1cc(C)nc(Nc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000095479176 185373706 /nfs/dbraw/zinc/37/37/06/185373706.db2.gz GPBWWMXBMVLXRU-UHFFFAOYSA-N 1 0 313.405 2.128 50 0 DEAARO CC(=O)NCC1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095507246 185375560 /nfs/dbraw/zinc/37/55/60/185375560.db2.gz YAQORBLWWIOVEF-QGZVFWFLSA-N 1 0 316.445 2.476 50 0 DEAARO C[N@H+](CCNC(=O)N1CCSCC1)Cc1ccc(F)cc1 ZINC000079014610 185146325 /nfs/dbraw/zinc/14/63/25/185146325.db2.gz RPWNIRIVCLZREV-UHFFFAOYSA-N 1 0 311.426 2.016 50 0 DEAARO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079439679 185171719 /nfs/dbraw/zinc/17/17/19/185171719.db2.gz DSACVEVWPXAAEF-VIFPVBQESA-N 1 0 309.218 2.024 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089949047 185271015 /nfs/dbraw/zinc/27/10/15/185271015.db2.gz SGDARMLJDCPRIZ-UKRRQHHQSA-N 1 0 304.390 2.152 50 0 DEAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090116003 185282900 /nfs/dbraw/zinc/28/29/00/185282900.db2.gz CYYVANVBRAVMKN-CHWSQXEVSA-N 1 0 324.494 2.425 50 0 DEAARO C[C@@H](C[NH2+]Cc1cc(F)ccc1Br)[S@@](C)=O ZINC000090193581 185286642 /nfs/dbraw/zinc/28/66/42/185286642.db2.gz BNVZUGVWPVTKAP-PWJLMRLQSA-N 1 0 308.216 2.445 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000065474749 282268780 /nfs/dbraw/zinc/26/87/80/282268780.db2.gz WCCUKERAOZUVQH-UHFFFAOYSA-N 1 0 324.432 2.270 50 0 DEAARO CC(C)Oc1cccc([C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC000095417418 185359252 /nfs/dbraw/zinc/35/92/52/185359252.db2.gz LFFDYEAXAHIVTP-PBHICJAKSA-N 1 0 320.433 2.108 50 0 DEAARO CCN(C(=O)C[N@@H+]1CC[C@H](CO)C1)[C@H](C)c1ccc(F)cc1 ZINC000095418143 185359428 /nfs/dbraw/zinc/35/94/28/185359428.db2.gz LCTQFLDORHMWGD-KGLIPLIRSA-N 1 0 308.397 2.049 50 0 DEAARO O=C(CCCc1cccs1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000095428340 185362421 /nfs/dbraw/zinc/36/24/21/185362421.db2.gz 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Cc1nn(C(C)C)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000253429239 202887623 /nfs/dbraw/zinc/88/76/23/202887623.db2.gz CFYUYPSNUILMRP-UHFFFAOYSA-N 1 0 314.437 2.275 50 0 DEAARO O=C([O-])CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000262365421 203274834 /nfs/dbraw/zinc/27/48/34/203274834.db2.gz DMACWHYIHHJPPR-IRXDYDNUSA-N 1 0 302.418 2.448 50 0 DEAARO O=C(N[C@H](CO)c1ccc(Cl)cc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000097376637 284161122 /nfs/dbraw/zinc/16/11/22/284161122.db2.gz FBNTYRICAMYNQI-CVEARBPZSA-N 1 0 322.836 2.364 50 0 DEAARO COc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000096431675 193639448 /nfs/dbraw/zinc/63/94/48/193639448.db2.gz ATXSSBKBXZEFBX-KBPBESRZSA-N 1 0 306.406 2.063 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnn(CC(C)C)c2)C1 ZINC000096435522 193643171 /nfs/dbraw/zinc/64/31/71/193643171.db2.gz ZBBKYSIIIDEWGN-HNNXBMFYSA-N 1 0 307.442 2.487 50 0 DEAARO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@](C)(O)c1cnn(C)c1 ZINC000096478293 193662869 /nfs/dbraw/zinc/66/28/69/193662869.db2.gz NIRZWNMVRXCWRA-SUMWQHHRSA-N 1 0 305.397 2.378 50 0 DEAARO C[NH+](C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2)c1 ZINC000096462648 193657965 /nfs/dbraw/zinc/65/79/65/193657965.db2.gz JNQYIFVPPGJZHO-UHFFFAOYSA-N 1 0 319.430 2.128 50 0 DEAARO C[C@H](CNC(=O)c1ccnc2ccncc21)[N@@H+]1CCC[C@H](C)C1 ZINC000274889199 212012361 /nfs/dbraw/zinc/01/23/61/212012361.db2.gz LGUBLJNDEYAVAW-UONOGXRCSA-N 1 0 312.417 2.480 50 0 DEAARO CC1CC[NH+](C[C@@H](O)CN2C[C@H](C)Oc3ccccc32)CC1 ZINC000097212466 193692331 /nfs/dbraw/zinc/69/23/31/193692331.db2.gz JYARJTLHKIBTPM-JKSUJKDBSA-N 1 0 304.434 2.367 50 0 DEAARO O=C(Nc1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000040513538 284365945 /nfs/dbraw/zinc/36/59/45/284365945.db2.gz QFOZKPUTPCPKOE-MRXNPFEDSA-N 1 0 303.406 2.405 50 0 DEAARO CC[NH+]1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000016579991 182050062 /nfs/dbraw/zinc/05/00/62/182050062.db2.gz IDVLYALDIUWPDN-UHFFFAOYSA-N 1 0 314.788 2.458 50 0 DEAARO O=C(CN1CC[NH2+]CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000019371216 182120020 /nfs/dbraw/zinc/12/00/20/182120020.db2.gz PGPASFGJCYIOTC-UHFFFAOYSA-N 1 0 311.385 2.323 50 0 DEAARO OCC[C@H]1CN(Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000019731758 182139516 /nfs/dbraw/zinc/13/95/16/182139516.db2.gz SWHJYAQNMHQJLR-IBGZPJMESA-N 1 0 311.429 2.150 50 0 DEAARO CCn1nc(C)c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1C ZINC000020536584 182228053 /nfs/dbraw/zinc/22/80/53/182228053.db2.gz BDQFWIFXUBBKLQ-KRWDZBQOSA-N 1 0 322.497 2.044 50 0 DEAARO COc1cccc(CC(=O)N(C)CC[NH+]2CCC(C)CC2)c1 ZINC000020863430 182250099 /nfs/dbraw/zinc/25/00/99/182250099.db2.gz FAWFGOGLXFTYPM-UHFFFAOYSA-N 1 0 304.434 2.428 50 0 DEAARO Cc1cccc(OCC[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000020998419 182257917 /nfs/dbraw/zinc/25/79/17/182257917.db2.gz HKHVVVWQXJIQJA-UHFFFAOYSA-N 1 0 304.434 2.170 50 0 DEAARO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000022693480 182330820 /nfs/dbraw/zinc/33/08/20/182330820.db2.gz OYNWAPBIFVMTAE-MRXNPFEDSA-N 1 0 304.434 2.390 50 0 DEAARO O[C@H](/C=C/N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000022863288 182337640 /nfs/dbraw/zinc/33/76/40/182337640.db2.gz BPIIBLHCDJCUMX-PSKZRQQASA-N 1 0 300.324 2.241 50 0 DEAARO COCc1cn(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nn1 ZINC000023479228 182362216 /nfs/dbraw/zinc/36/22/16/182362216.db2.gz KPFWCOQXCMCTGU-OAHLLOKOSA-N 1 0 318.396 2.476 50 0 DEAARO COc1ccc(CC[C@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000037269774 182877650 /nfs/dbraw/zinc/87/76/50/182877650.db2.gz QQLIJDBYEQBHQP-ZDUSSCGKSA-N 1 0 311.447 2.183 50 0 DEAARO CC(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583504 183003774 /nfs/dbraw/zinc/00/37/74/183003774.db2.gz QQPIVANLPQIYTA-UHFFFAOYSA-N 1 0 310.463 2.226 50 0 DEAARO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000038246114 182996060 /nfs/dbraw/zinc/99/60/60/182996060.db2.gz RAFNFWJWBDXRDD-ZIAGYGMSSA-N 1 0 318.417 2.060 50 0 DEAARO COC[C@H](C)NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000039985797 183026966 /nfs/dbraw/zinc/02/69/66/183026966.db2.gz UTEKJBJKPXSJOS-HNNXBMFYSA-N 1 0 304.434 2.092 50 0 DEAARO CC(C)=CC[N@H+]1CCN(Cc2cnn(C(C)C)c2)C[C@H]1CCO ZINC000039429957 183018821 /nfs/dbraw/zinc/01/88/21/183018821.db2.gz KADZIPAJKIWBHV-GOSISDBHSA-N 1 0 320.481 2.299 50 0 DEAARO COc1cccc(CC(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000040107612 183036054 /nfs/dbraw/zinc/03/60/54/183036054.db2.gz MBHKZYPTJOZHTF-GJZGRUSLSA-N 1 0 304.434 2.332 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040108096 183036599 /nfs/dbraw/zinc/03/65/99/183036599.db2.gz XJJDVBKSHMVQBI-AWEZNQCLSA-N 1 0 302.418 2.473 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000040110333 183037333 /nfs/dbraw/zinc/03/73/33/183037333.db2.gz LQGUHJWTJQASFV-CYBMUJFWSA-N 1 0 313.401 2.132 50 0 DEAARO C[C@@H](CNC(=O)Nc1nncs1)[N@@H+]1CCc2ccccc2C1 ZINC000043127932 183338948 /nfs/dbraw/zinc/33/89/48/183338948.db2.gz FXNUFGHKBPZMCO-NSHDSACASA-N 1 0 317.418 2.106 50 0 DEAARO Cc1cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n(C)n1 ZINC000043435033 183363191 /nfs/dbraw/zinc/36/31/91/183363191.db2.gz UXWDYXDREPUKOY-CQSZACIVSA-N 1 0 319.384 2.292 50 0 DEAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000104350330 194001361 /nfs/dbraw/zinc/00/13/61/194001361.db2.gz IQUZOWNWBDPFPT-SECBINFHSA-N 1 0 323.245 2.271 50 0 DEAARO COc1ccc(OC)c([C@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000106513263 194221244 /nfs/dbraw/zinc/22/12/44/194221244.db2.gz FECKWOCJKGIMII-CXAGYDPISA-N 1 0 321.417 2.238 50 0 DEAARO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](CC)CC1 ZINC000106801855 194255509 /nfs/dbraw/zinc/25/55/09/194255509.db2.gz HJDAZADJPYKNMR-OAHLLOKOSA-N 1 0 319.449 2.440 50 0 DEAARO C[NH2+]CCCNCc1cc(Br)c(OC)c(OC)c1 ZINC000057387125 184036846 /nfs/dbraw/zinc/03/68/46/184036846.db2.gz YYSDRNYEBMUBPH-UHFFFAOYSA-N 1 0 317.227 2.165 50 0 DEAARO O[C@H](COCc1cccs1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058217654 184090039 /nfs/dbraw/zinc/09/00/39/184090039.db2.gz BKOYNVBCABNQGV-AWEZNQCLSA-N 1 0 321.446 2.228 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccccc2OC)cn1 ZINC000058160975 184082087 /nfs/dbraw/zinc/08/20/87/184082087.db2.gz LAGWBGLTPFSHQG-UHFFFAOYSA-N 1 0 316.405 2.486 50 0 DEAARO Cn1nccc1C1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000058343779 184107387 /nfs/dbraw/zinc/10/73/87/184107387.db2.gz BQTQENBYFQEDNV-QGZVFWFLSA-N 1 0 303.381 2.472 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc([C@H](C)O)cc1)CN2 ZINC000058291768 184101263 /nfs/dbraw/zinc/10/12/63/184101263.db2.gz UNRJITIPAHRQKA-DZGCQCFKSA-N 1 0 300.406 2.076 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)cc1)CN2 ZINC000058299948 184102803 /nfs/dbraw/zinc/10/28/03/184102803.db2.gz TVMDSIFGGFPVKA-INIZCTEOSA-N 1 0 322.416 2.209 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000058412727 184114672 /nfs/dbraw/zinc/11/46/72/184114672.db2.gz FFVASOLULWLDLG-LBPRGKRZSA-N 1 0 320.412 2.491 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000269151721 207278910 /nfs/dbraw/zinc/27/89/10/207278910.db2.gz RSPPFERCWWXSFA-GHMZBOCLSA-N 1 0 314.788 2.314 50 0 DEAARO COc1cccc(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)c1OC ZINC000065375937 184331409 /nfs/dbraw/zinc/33/14/09/184331409.db2.gz BPCSLYLRDOGSGK-OAHLLOKOSA-N 1 0 320.433 2.237 50 0 DEAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(CO)o3)C[C@H]2O)c1 ZINC000065375291 184331473 /nfs/dbraw/zinc/33/14/73/184331473.db2.gz OVRSZAGGNNISJT-ZWKOTPCHSA-N 1 0 317.385 2.131 50 0 DEAARO COC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000065449313 184346069 /nfs/dbraw/zinc/34/60/69/184346069.db2.gz FECIEVQZFKPZRK-CYBMUJFWSA-N 1 0 311.451 2.000 50 0 DEAARO O=c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc3c2n1CCC3 ZINC000065451671 184346558 /nfs/dbraw/zinc/34/65/58/184346558.db2.gz ORPIFKUQNDRRKJ-SJORKVTESA-N 1 0 323.440 2.274 50 0 DEAARO CCOC(=O)N1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000065463018 184349647 /nfs/dbraw/zinc/34/96/47/184349647.db2.gz SPBQLAANBZILSW-UHFFFAOYSA-N 1 0 310.369 2.415 50 0 DEAARO c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000065473661 184350659 /nfs/dbraw/zinc/35/06/59/184350659.db2.gz ZIABCQZYDCYWBF-GOSISDBHSA-N 1 0 324.428 2.480 50 0 DEAARO OC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000065550041 184364371 /nfs/dbraw/zinc/36/43/71/184364371.db2.gz HJUQFNZHSDORNE-IAGOWNOFSA-N 1 0 301.386 2.036 50 0 DEAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000065553170 184365239 /nfs/dbraw/zinc/36/52/39/184365239.db2.gz HMXZEWZFKOELFW-KLHDSHLOSA-N 1 0 306.450 2.204 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(CCO)Cc1ccccc1F ZINC000065505759 184356923 /nfs/dbraw/zinc/35/69/23/184356923.db2.gz JLDVZMGMGWBMKC-INIZCTEOSA-N 1 0 308.397 2.021 50 0 DEAARO CCSc1nc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000065505850 184356952 /nfs/dbraw/zinc/35/69/52/184356952.db2.gz MYFLZOHXMKYZGH-MNOVXSKESA-N 1 0 311.476 2.151 50 0 DEAARO CSCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000065517165 184358389 /nfs/dbraw/zinc/35/83/89/184358389.db2.gz UPFKXDPDQPNYGX-UHFFFAOYSA-N 1 0 307.463 2.126 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000066137425 184391791 /nfs/dbraw/zinc/39/17/91/184391791.db2.gz UKLDKVUZNURSCG-ZDUSSCGKSA-N 1 0 308.422 2.093 50 0 DEAARO Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1cnn(C)c1 ZINC000065739973 184378146 /nfs/dbraw/zinc/37/81/46/184378146.db2.gz WTEWVCXRHFXGBF-BQYQJAHWSA-N 1 0 321.384 2.244 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000069534722 184524240 /nfs/dbraw/zinc/52/42/40/184524240.db2.gz JQKOMARHAAOXOE-CHWSQXEVSA-N 1 0 305.382 2.056 50 0 DEAARO O=c1[nH]c2cc3c(cc2cc1C[N@H+]1CCC[C@H]1CCO)CCC3 ZINC000067852309 285199123 /nfs/dbraw/zinc/19/91/23/285199123.db2.gz QHOPHHQUCCDGAP-KRWDZBQOSA-N 1 0 312.413 2.364 50 0 DEAARO C[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000155221546 197033707 /nfs/dbraw/zinc/03/37/07/197033707.db2.gz FNYMZKVOEPFFMU-SNVBAGLBSA-N 1 0 311.223 2.334 50 0 DEAARO CCc1ccc([C@H](CNC(=O)c2ccnn2C)[NH+](C)C)cc1 ZINC000120821558 195244643 /nfs/dbraw/zinc/24/46/43/195244643.db2.gz WNYDGKNRINRNAQ-INIZCTEOSA-N 1 0 300.406 2.015 50 0 DEAARO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H](O)Cc1ccccc1 ZINC000161688849 256588090 /nfs/dbraw/zinc/58/80/90/256588090.db2.gz FHNSFNVLLMCVCH-YOEHRIQHSA-N 1 0 305.418 2.254 50 0 DEAARO COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000237105128 257239523 /nfs/dbraw/zinc/23/95/23/257239523.db2.gz JHIUTVGWOVEUHC-ZIAGYGMSSA-N 1 0 306.406 2.111 50 0 DEAARO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cnc1F ZINC000521394920 257240838 /nfs/dbraw/zinc/24/08/38/257240838.db2.gz IMUXXGKIIFZGQP-UHFFFAOYSA-N 1 0 323.412 2.102 50 0 DEAARO COc1ccc2[nH]cc(C3CC[NH+](CCC(N)=O)CC3)c2c1 ZINC000071824858 184855020 /nfs/dbraw/zinc/85/50/20/184855020.db2.gz BMRIGPDMQQSNCA-UHFFFAOYSA-N 1 0 301.390 2.231 50 0 DEAARO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(=O)[nH]1 ZINC000075124143 292052788 /nfs/dbraw/zinc/05/27/88/292052788.db2.gz CBNMTSPKHMYBJB-QLFBSQMISA-N 1 0 317.433 2.161 50 0 DEAARO O=C(Cc1c[nH]c2ncccc12)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000564828811 292113847 /nfs/dbraw/zinc/11/38/47/292113847.db2.gz OOUCZPNHGHCCFK-QGZVFWFLSA-N 1 0 320.396 2.279 50 0 DEAARO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000370474217 148022373 /nfs/dbraw/zinc/02/23/73/148022373.db2.gz XMZNFRMFWVZBID-BLLLJJGKSA-N 1 0 324.428 2.195 50 0 DEAARO C[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000071877453 401690847 /nfs/dbraw/zinc/69/08/47/401690847.db2.gz IHIQMUPTOXKLRE-AWEZNQCLSA-N 1 0 317.458 2.309 50 0 DEAARO Cc1nnc2n1C[C@@H](C[NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000071877326 401691041 /nfs/dbraw/zinc/69/10/41/401691041.db2.gz YMWISDBCMYBKLQ-CQSZACIVSA-N 1 0 310.401 2.215 50 0 DEAARO CCCC(=O)Nc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000071883029 401691790 /nfs/dbraw/zinc/69/17/90/401691790.db2.gz XNFXZVBKBMXYFH-UHFFFAOYSA-N 1 0 305.422 2.051 50 0 DEAARO CC[N@H+](C)[C@H](C(=O)NCCc1cscn1)c1ccccc1 ZINC000071896350 401694119 /nfs/dbraw/zinc/69/41/19/401694119.db2.gz HTRGFUQTQKXQPI-HNNXBMFYSA-N 1 0 303.431 2.495 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000001227366 401704548 /nfs/dbraw/zinc/70/45/48/401704548.db2.gz MKUXDNAHOKXDJI-CQSZACIVSA-N 1 0 307.390 2.479 50 0 DEAARO O=C(NCc1cccc(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072274014 401705535 /nfs/dbraw/zinc/70/55/35/401705535.db2.gz SWPFJRWUOMRAHR-HUUCEWRRSA-N 1 0 323.824 2.002 50 0 DEAARO CCOCCn1c2ccccc2nc1N1CCC[N@H+](C)CC1 ZINC000001530912 401708104 /nfs/dbraw/zinc/70/81/04/401708104.db2.gz KBUZBQVCBVDWKX-UHFFFAOYSA-N 1 0 302.422 2.215 50 0 fda DEAARO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002195179 401712124 /nfs/dbraw/zinc/71/21/24/401712124.db2.gz ZVNJMYWCXADFBF-UHFFFAOYSA-N 1 0 311.234 2.223 50 0 DEAARO Cc1nc(/C=C/C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000073368307 401717595 /nfs/dbraw/zinc/71/75/95/401717595.db2.gz NUXHGDJVAJIXNI-MBVDDHJVSA-N 1 0 324.446 2.365 50 0 DEAARO CCOc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000075128152 401750239 /nfs/dbraw/zinc/75/02/39/401750239.db2.gz ZZMOHEHBHAEEPV-OAHLLOKOSA-N 1 0 305.422 2.321 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075132335 401751055 /nfs/dbraw/zinc/75/10/55/401751055.db2.gz YDYJTKPWPPMKGV-INIZCTEOSA-N 1 0 312.417 2.473 50 0 DEAARO C[NH+](C)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000008583028 401753781 /nfs/dbraw/zinc/75/37/81/401753781.db2.gz YBRDVTCYCHHQPU-UHFFFAOYSA-N 1 0 316.796 2.442 50 0 DEAARO Cn1c(CN2CCCCC2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000077303112 401809434 /nfs/dbraw/zinc/80/94/34/401809434.db2.gz QGGKXSDGMMDOSH-UHFFFAOYSA-N 1 0 317.481 2.390 50 0 DEAARO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c2cnn(C(C)C)c2n1 ZINC000128124614 401763929 /nfs/dbraw/zinc/76/39/29/401763929.db2.gz WKBKLBIBZVEVIT-HUUCEWRRSA-N 1 0 315.421 2.320 50 0 DEAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)C(N)=O ZINC000075610826 401764297 /nfs/dbraw/zinc/76/42/97/401764297.db2.gz QNEVQVOCYNOCPX-GZMMTYOYSA-N 1 0 315.211 2.372 50 0 DEAARO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)c(O)c1 ZINC000009917007 401766828 /nfs/dbraw/zinc/76/68/28/401766828.db2.gz YBIMIZXVZTUNKH-UHFFFAOYSA-N 1 0 314.385 2.392 50 0 DEAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCOCCO ZINC000010435717 401770426 /nfs/dbraw/zinc/77/04/26/401770426.db2.gz WLQUPSLPLCOPRA-UHFFFAOYSA-N 1 0 308.205 2.491 50 0 DEAARO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000011843458 401777078 /nfs/dbraw/zinc/77/70/78/401777078.db2.gz XLHFKLJIRCLGBB-GOSISDBHSA-N 1 0 320.433 2.173 50 0 DEAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000011852180 401777556 /nfs/dbraw/zinc/77/75/56/401777556.db2.gz BJOXFBGLRLTGIJ-UONOGXRCSA-N 1 0 307.390 2.420 50 0 DEAARO COc1ccc([C@H]2C[C@H](C)[N@H+](CCN3CCOC3=O)C2)cc1 ZINC000076394075 401794070 /nfs/dbraw/zinc/79/40/70/401794070.db2.gz BMUVZYNYYFUUJU-ZFWWWQNUSA-N 1 0 304.390 2.325 50 0 DEAARO COc1cc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470437 401816564 /nfs/dbraw/zinc/81/65/64/401816564.db2.gz WPNVGUOMWHEWDN-SFHVURJKSA-N 1 0 322.424 2.257 50 0 DEAARO COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2[NH3+])cc1 ZINC000015830342 401818811 /nfs/dbraw/zinc/81/88/11/401818811.db2.gz IWWSVINQONJVDG-IKGGRYGDSA-N 1 0 321.384 2.370 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1 ZINC000020373788 401823564 /nfs/dbraw/zinc/82/35/64/401823564.db2.gz JLJWPBOKRABGFH-UHFFFAOYSA-N 1 0 316.430 2.076 50 0 DEAARO Cc1noc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000020575140 401824176 /nfs/dbraw/zinc/82/41/76/401824176.db2.gz UEPMWRRZZIBLJR-UHFFFAOYSA-N 1 0 309.373 2.248 50 0 DEAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccon2)C[C@@H]1CCO ZINC000020452323 401824424 /nfs/dbraw/zinc/82/44/24/401824424.db2.gz IFUSIFUGKJCGRF-SFHVURJKSA-N 1 0 315.417 2.052 50 0 DEAARO CCOc1ccccc1CN1CC[N@H+](CC2CC2)C[C@@H]1CCO ZINC000020538230 401824697 /nfs/dbraw/zinc/82/46/97/401824697.db2.gz NVYSGFFAUQBRPN-SFHVURJKSA-N 1 0 318.461 2.364 50 0 DEAARO C[C@@H]1C[C@@H](C)[N@H+](CCCNC(=O)CN2CCCC2=O)C(C)(C)C1 ZINC000027757238 401847433 /nfs/dbraw/zinc/84/74/33/401847433.db2.gz QQTBNLWQBVBBBG-HUUCEWRRSA-N 1 0 323.481 2.014 50 0 DEAARO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1 ZINC000078598728 401857189 /nfs/dbraw/zinc/85/71/89/401857189.db2.gz KYEQGXOUVLOZTG-UHFFFAOYSA-N 1 0 309.841 2.050 50 0 DEAARO Cn1cncc1C[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000116923543 401864414 /nfs/dbraw/zinc/86/44/14/401864414.db2.gz XBWWYIJYERBOTG-LBPRGKRZSA-N 1 0 322.359 2.390 50 0 DEAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000014977617 401814655 /nfs/dbraw/zinc/81/46/55/401814655.db2.gz ATXSRRWHDNGOTI-UHFFFAOYSA-N 1 0 319.434 2.444 50 0 DEAARO C[C@@H](Cn1ccnc1-c1ccc(F)cc1F)[NH+]1CCN(C)CC1 ZINC000077421997 401815500 /nfs/dbraw/zinc/81/55/00/401815500.db2.gz PQSDCWNGSUBECH-ZDUSSCGKSA-N 1 0 320.387 2.464 50 0 DEAARO O=C(Nc1ccnn1C1CC[NH+](C2CCC2)CC1)[C@H]1CCOC1 ZINC000015079009 401815957 /nfs/dbraw/zinc/81/59/57/401815957.db2.gz OHSLZRZLXBJRDI-ZDUSSCGKSA-N 1 0 318.421 2.048 50 0 DEAARO O[C@H]1CCCN(c2ncccc2C[NH2+]C2Cc3ccccc3C2)C1 ZINC000015069081 401816073 /nfs/dbraw/zinc/81/60/73/401816073.db2.gz WZEXIBPSGSVLKK-IBGZPJMESA-N 1 0 323.440 2.300 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)nc2)[NH+](C)C)cc1 ZINC000032201423 401877027 /nfs/dbraw/zinc/87/70/27/401877027.db2.gz HJMSACQPHJDCSS-QGZVFWFLSA-N 1 0 313.401 2.431 50 0 DEAARO Cc1c2ccccc2nc(SCC(=O)N[C@@H](C)C(C)C)[n+]1C ZINC000032739649 401882100 /nfs/dbraw/zinc/88/21/00/401882100.db2.gz SSGHECMFAVBOHW-LBPRGKRZSA-N 1 0 317.458 2.494 50 0 DEAARO CC[C@@H](CNC(=O)[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000032817241 401883450 /nfs/dbraw/zinc/88/34/50/401883450.db2.gz YXJQMONNZFKGNR-DLBZAZTESA-N 1 0 302.418 2.119 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000032863586 401884840 /nfs/dbraw/zinc/88/48/40/401884840.db2.gz SEFHCOVHWHXPFH-QGZVFWFLSA-N 1 0 319.449 2.151 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000035272214 401897503 /nfs/dbraw/zinc/89/75/03/401897503.db2.gz JZLBQZKQSQGQMU-NSHDSACASA-N 1 0 307.781 2.486 50 0 DEAARO COCC[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccccc1 ZINC000036096393 401901847 /nfs/dbraw/zinc/90/18/47/401901847.db2.gz OLRIDDGQJZWXBX-KRWDZBQOSA-N 1 0 319.401 2.306 50 0 DEAARO CC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095933 401901906 /nfs/dbraw/zinc/90/19/06/401901906.db2.gz YCVFJVFTZMTYPP-OAHLLOKOSA-N 1 0 311.422 2.313 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300087 401904383 /nfs/dbraw/zinc/90/43/83/401904383.db2.gz SMPUAHUEYIHLIT-UHFFFAOYSA-N 1 0 302.827 2.021 50 0 DEAARO Cc1nc(CC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000036569320 401906145 /nfs/dbraw/zinc/90/61/45/401906145.db2.gz GJWGDOVQSNDZNN-UKRRQHHQSA-N 1 0 307.463 2.375 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(O)cc1 ZINC000084735491 401909795 /nfs/dbraw/zinc/90/97/95/401909795.db2.gz DQMGGQHRPCRLAY-CQSZACIVSA-N 1 0 306.406 2.152 50 0 DEAARO C[NH+](C)C[C@H]1COCCN1C(=O)Cc1cccc2ccccc21 ZINC000085470029 401916728 /nfs/dbraw/zinc/91/67/28/401916728.db2.gz HPSFZFSWUBBQNT-KRWDZBQOSA-N 1 0 312.413 2.171 50 0 DEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000085468099 401916806 /nfs/dbraw/zinc/91/68/06/401916806.db2.gz GTKFZMYSOMHOQU-INIZCTEOSA-N 1 0 321.509 2.441 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000089534404 401951390 /nfs/dbraw/zinc/95/13/90/401951390.db2.gz XODXFBKZUZSOQW-KGLIPLIRSA-N 1 0 313.401 2.069 50 0 DEAARO Cc1csc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000044952916 401951617 /nfs/dbraw/zinc/95/16/17/401951617.db2.gz AMAUMBSECWCTMP-WCQYABFASA-N 1 0 310.467 2.371 50 0 DEAARO Cc1ncn(C[C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1C ZINC000089547599 401951847 /nfs/dbraw/zinc/95/18/47/401951847.db2.gz CXOKLDUGMJCSCT-WFASDCNBSA-N 1 0 301.390 2.318 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000046455648 401970093 /nfs/dbraw/zinc/97/00/93/401970093.db2.gz JHEPRDDWBHGVFN-AWEZNQCLSA-N 1 0 316.380 2.430 50 0 DEAARO C[N@@H+](CCc1ccccc1)CCN1C[C@]2(CCOC2)CCC1=O ZINC000091830338 401998407 /nfs/dbraw/zinc/99/84/07/401998407.db2.gz YCQLCHGMXJYUST-LJQANCHMSA-N 1 0 316.445 2.190 50 0 DEAARO C[C@@H](c1ccccn1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000089924877 401973834 /nfs/dbraw/zinc/97/38/34/401973834.db2.gz BOAJOSWUFWJHLX-XJKSGUPXSA-N 1 0 300.406 2.322 50 0 DEAARO C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCSC1 ZINC000089935569 401975125 /nfs/dbraw/zinc/97/51/25/401975125.db2.gz JRMSGXNSHUCWAL-CHWSQXEVSA-N 1 0 306.431 2.345 50 0 DEAARO O=C(Nc1cccc(F)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047324123 401980917 /nfs/dbraw/zinc/98/09/17/401980917.db2.gz WGBDFPPPZBTFQC-UHFFFAOYSA-N 1 0 321.396 2.402 50 0 DEAARO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)o1 ZINC000090395667 401982076 /nfs/dbraw/zinc/98/20/76/401982076.db2.gz OZFRWXUHTNHFKC-VXGBXAGGSA-N 1 0 304.394 2.246 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000044890051 401949565 /nfs/dbraw/zinc/94/95/65/401949565.db2.gz UVVHBNAJLVUNMC-INIZCTEOSA-N 1 0 320.481 2.299 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000050245903 402026781 /nfs/dbraw/zinc/02/67/81/402026781.db2.gz NQRXKUPOYPNRRF-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](C)Cc2cnccn2)CC1 ZINC000095359054 402027496 /nfs/dbraw/zinc/02/74/96/402027496.db2.gz IUFGMJYLYQQRQV-CQSZACIVSA-N 1 0 304.438 2.034 50 0 DEAARO CCC(=O)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095357899 402027526 /nfs/dbraw/zinc/02/75/26/402027526.db2.gz UWQHIFFNMFBZGL-HZPDHXFCSA-N 1 0 300.402 2.089 50 0 DEAARO C[C@H](C1CCN(C(=O)c2ccn(C(F)F)n2)CC1)[NH+](C)C ZINC000095359357 402027963 /nfs/dbraw/zinc/02/79/63/402027963.db2.gz OXDQDASBAZKUHL-SNVBAGLBSA-N 1 0 300.353 2.081 50 0 DEAARO COc1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000095359179 402027995 /nfs/dbraw/zinc/02/79/95/402027995.db2.gz QVVNFDGLWMOUDJ-JKSUJKDBSA-N 1 0 320.433 2.362 50 0 DEAARO CN(Cc1nccn1C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095368403 402029161 /nfs/dbraw/zinc/02/91/61/402029161.db2.gz WURCVBBVDFMKGB-UHFFFAOYSA-N 1 0 318.465 2.423 50 0 DEAARO CCn1nc(C)c(CCNC(=O)CC2CC[NH+](CC)CC2)c1C ZINC000095378301 402030591 /nfs/dbraw/zinc/03/05/91/402030591.db2.gz DNKDUETVHPBXEX-UHFFFAOYSA-N 1 0 320.481 2.301 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000095385515 402030943 /nfs/dbraw/zinc/03/09/43/402030943.db2.gz VXHPCPYUYJTKDZ-INIZCTEOSA-N 1 0 308.397 2.097 50 0 DEAARO CCOc1ncccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095384803 402031057 /nfs/dbraw/zinc/03/10/57/402031057.db2.gz AJYVEMJGVHALDG-OAHLLOKOSA-N 1 0 305.422 2.361 50 0 DEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095384174 402031192 /nfs/dbraw/zinc/03/11/92/402031192.db2.gz AKQKMSZYGQRZOJ-MRXNPFEDSA-N 1 0 318.465 2.341 50 0 DEAARO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CC(C)(C)OC3(C)C)C2)cn1 ZINC000095423286 402032399 /nfs/dbraw/zinc/03/23/99/402032399.db2.gz IZVYZKKSWMLDOH-UKRRQHHQSA-N 1 0 306.454 2.325 50 0 DEAARO CC1CC[NH+](C[C@@H](O)COc2ccccc2-c2nnco2)CC1 ZINC000095439089 402032970 /nfs/dbraw/zinc/03/29/70/402032970.db2.gz BANYZBMTQIEDCQ-CQSZACIVSA-N 1 0 317.389 2.208 50 0 DEAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000095957891 402036937 /nfs/dbraw/zinc/03/69/37/402036937.db2.gz CDZXTQHBWUGUEV-OAHLLOKOSA-N 1 0 317.389 2.456 50 0 DEAARO CCc1ccc(-c2csc(NC(=O)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000095971640 402039414 /nfs/dbraw/zinc/03/94/14/402039414.db2.gz SDJJKRIQVSGVTR-CQSZACIVSA-N 1 0 317.414 2.299 50 0 DEAARO COC(=O)N1CCC([NH2+][C@H]2CCc3ccc(OC)cc3C2)CC1 ZINC000095973566 402039956 /nfs/dbraw/zinc/03/99/56/402039956.db2.gz MJRVFUVKOCHVIN-INIZCTEOSA-N 1 0 318.417 2.373 50 0 DEAARO CCC1CCC([N@H+](Cc2cc(=O)n(C)c(=O)n2C)C2CC2)CC1 ZINC000052103732 402040453 /nfs/dbraw/zinc/04/04/53/402040453.db2.gz IFZXWQOEPOTJHD-UHFFFAOYSA-N 1 0 319.449 2.017 50 0 DEAARO Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c(N(C)C)c1 ZINC000095979047 402040994 /nfs/dbraw/zinc/04/09/94/402040994.db2.gz KWZVAZSYTKDMCZ-HNNXBMFYSA-N 1 0 321.490 2.115 50 0 DEAARO C[C@H](c1cccs1)[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000052283219 402041770 /nfs/dbraw/zinc/04/17/70/402041770.db2.gz 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c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CCSC2)cc1 ZINC000096477476 402093490 /nfs/dbraw/zinc/09/34/90/402093490.db2.gz AIKYDCFRVJCOGT-IAGOWNOFSA-N 1 0 306.475 2.025 50 0 DEAARO CC[C@H](C(=O)NCc1cccc(-c2cnn(C)c2)c1)[NH+](C)C ZINC000096486077 402095087 /nfs/dbraw/zinc/09/50/87/402095087.db2.gz MTDXLKGZENKULI-MRXNPFEDSA-N 1 0 300.406 2.044 50 0 DEAARO CCOC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490632 402095951 /nfs/dbraw/zinc/09/59/51/402095951.db2.gz OAHCTCXKPQYQCV-LSDHHAIUSA-N 1 0 317.433 2.448 50 0 DEAARO c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2CC2OCCO2)cc1 ZINC000096495490 402097160 /nfs/dbraw/zinc/09/71/60/402097160.db2.gz CCGSCZDECCVOGO-MSOLQXFVSA-N 1 0 316.445 2.488 50 0 DEAARO COc1ccccc1OCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058343192 402100288 /nfs/dbraw/zinc/10/02/88/402100288.db2.gz OFJIJUDSIVSRDN-OAHLLOKOSA-N 1 0 318.417 2.161 50 0 DEAARO CC(C)CO[C@H]1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1(C)C ZINC000097034801 402100612 /nfs/dbraw/zinc/10/06/12/402100612.db2.gz 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C[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC[NH2+]1 ZINC000067934373 402179183 /nfs/dbraw/zinc/17/91/83/402179183.db2.gz ZXVQBSCWUQLBHK-CQSZACIVSA-N 1 0 307.401 2.190 50 0 DEAARO O[C@@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067459530 402159758 /nfs/dbraw/zinc/15/97/58/402159758.db2.gz YYOCFVDSMRRPNO-MRXNPFEDSA-N 1 0 308.385 2.353 50 0 DEAARO C[N@@H+]1CCC[C@@H](CCNC(=O)CCC(=O)N2CCCCCC2)C1 ZINC000067447393 402159993 /nfs/dbraw/zinc/15/99/93/402159993.db2.gz FSEZDKGWAACFLS-INIZCTEOSA-N 1 0 323.481 2.017 50 0 DEAARO NC(=O)c1cncc(-c2ccc3c4c(ccc3c2)O[C@H](C[NH3+])C4)c1 ZINC000067514886 402161700 /nfs/dbraw/zinc/16/17/00/402161700.db2.gz QEQNAGQWSPNGGD-HNNXBMFYSA-N 1 0 319.364 2.263 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-n3cccc3)ccc2O)C1 ZINC000067541447 402162507 /nfs/dbraw/zinc/16/25/07/402162507.db2.gz FJNATCKQHHRSOZ-CQSZACIVSA-N 1 0 313.401 2.255 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NC(C)=O)cc2C)C1 ZINC000067560105 402162588 /nfs/dbraw/zinc/16/25/88/402162588.db2.gz 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CCn1nc(C)c(C[NH2+]C[C@H]2COc3ccccc3O2)c1C ZINC000069370833 402220333 /nfs/dbraw/zinc/22/03/33/402220333.db2.gz ADXVRAUZSXNQGG-AWEZNQCLSA-N 1 0 301.390 2.449 50 0 DEAARO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069382283 402221241 /nfs/dbraw/zinc/22/12/41/402221241.db2.gz TZEANPOXUYTFCV-CMPLNLGQSA-N 1 0 303.362 2.329 50 0 DEAARO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1F ZINC000069393666 402221496 /nfs/dbraw/zinc/22/14/96/402221496.db2.gz LFUTYQGMWQZUCE-QGZVFWFLSA-N 1 0 303.381 2.468 50 0 DEAARO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H](C)[NH+](C)C ZINC000069420897 402222878 /nfs/dbraw/zinc/22/28/78/402222878.db2.gz DWKVNDZEDRIHAL-STQMWFEESA-N 1 0 317.437 2.391 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000069490842 402226460 /nfs/dbraw/zinc/22/64/60/402226460.db2.gz CVHBREBOXANRNP-HOTGVXAUSA-N 1 0 313.401 2.456 50 0 DEAARO CN(CC[N@H+](C)C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000107351556 402230728 /nfs/dbraw/zinc/23/07/28/402230728.db2.gz 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/nfs/dbraw/zinc/59/43/04/405594304.db2.gz OWAPXFLHMMZBEL-KRWDZBQOSA-N 1 0 318.461 2.482 50 0 DEAARO Cc1cnc(-c2ccccc2)n1C1CN(C(=O)c2ccnn2C)C1 ZINC000575548712 406812756 /nfs/dbraw/zinc/81/27/56/406812756.db2.gz CVJWMSJKARBXJU-UHFFFAOYSA-N 1 0 321.384 2.289 50 0 DEAARO c1ccc(CN2CCO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@@H]32)cc1 ZINC000241465945 225214621 /nfs/dbraw/zinc/21/46/21/225214621.db2.gz NTGQMHKEXXMLGL-CEXWTWQISA-N 1 0 316.445 2.141 50 0 DEAARO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CCN1C[C@H](O)c1ccccc1 ZINC000252474577 225247429 /nfs/dbraw/zinc/24/74/29/225247429.db2.gz HREBOXUYUJKQMZ-QRQLOZEOSA-N 1 0 318.461 2.295 50 0 DEAARO O=C(NCC1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000299534124 229188078 /nfs/dbraw/zinc/18/80/78/229188078.db2.gz QMGOIOUVQILCDN-UHFFFAOYSA-N 1 0 302.418 2.439 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 ZINC000299739929 229374895 /nfs/dbraw/zinc/37/48/95/229374895.db2.gz TUYAJIPFVYFSEX-JTQLQIEISA-N 1 0 305.765 2.416 50 0 DEAARO NC(=O)CC1CC[NH+](Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000299761172 229406608 /nfs/dbraw/zinc/40/66/08/229406608.db2.gz VRJVSZQKZDTSTB-UHFFFAOYSA-N 1 0 317.364 2.167 50 0 DEAARO COc1ccc(OCCC[NH3+])c(C(=O)NC2(C3CC3)CC2)c1 ZINC000299780258 229433313 /nfs/dbraw/zinc/43/33/13/229433313.db2.gz AQWKGWNMVKTHGQ-UHFFFAOYSA-N 1 0 304.390 2.095 50 0 DEAARO Cc1c(NC(=O)N2CC[C@H](C[NH3+])C2)cccc1N1CCCC1 ZINC000299784821 229440908 /nfs/dbraw/zinc/44/09/08/229440908.db2.gz HUEIONNMJLHAIK-CQSZACIVSA-N 1 0 302.422 2.408 50 0 DEAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCO1 ZINC000057419385 262542074 /nfs/dbraw/zinc/54/20/74/262542074.db2.gz CKVSHCRKPPCZMK-HNNXBMFYSA-N 1 0 323.412 2.078 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000045744702 424817582 /nfs/dbraw/zinc/81/75/82/424817582.db2.gz JERQWIBPWJLOHU-HNNXBMFYSA-N 1 0 310.463 2.228 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(F)c2)C1 ZINC000045744785 424817669 /nfs/dbraw/zinc/81/76/69/424817669.db2.gz CUMJHPODYCAEGH-CYBMUJFWSA-N 1 0 314.426 2.226 50 0 DEAARO Cc1ncc(C[N@H+](C)C[C@H](O)c2ccc3c(c2)OCO3)s1 ZINC000048235416 424830899 /nfs/dbraw/zinc/83/08/99/424830899.db2.gz NTUJRNJOTYZVMJ-ZDUSSCGKSA-N 1 0 306.387 2.346 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1C ZINC000048260487 424831003 /nfs/dbraw/zinc/83/10/03/424831003.db2.gz RYIRHFOYGXHRRS-HNNXBMFYSA-N 1 0 320.462 2.497 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]CCNC(=O)c1cccs1 ZINC000044973844 424815489 /nfs/dbraw/zinc/81/54/89/424815489.db2.gz TUAZWFCXAFMXCD-UHFFFAOYSA-N 1 0 306.435 2.125 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000048711356 424835002 /nfs/dbraw/zinc/83/50/02/424835002.db2.gz KZPCKIFNKCVLAW-UHFFFAOYSA-N 1 0 310.405 2.414 50 0 DEAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)OC)c(C)c2)CC1 ZINC000056170264 424839177 /nfs/dbraw/zinc/83/91/77/424839177.db2.gz BNXXUBFNTBGUHK-AWEZNQCLSA-N 1 0 305.422 2.110 50 0 DEAARO O=C(c1nc(Cl)ccc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101277846 424846572 /nfs/dbraw/zinc/84/65/72/424846572.db2.gz DBQIDSCDXAKRRQ-JTQLQIEISA-N 1 0 312.200 2.475 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)/C=C\c1nccs1 ZINC000104136575 424848906 /nfs/dbraw/zinc/84/89/06/424848906.db2.gz ODBXNTGUORDHDK-WAYWQWQTSA-N 1 0 316.430 2.142 50 0 DEAARO C[C@]1(C(=O)NCCC[NH2+]Cc2cccnc2)CC1(Cl)Cl ZINC000120887318 424853649 /nfs/dbraw/zinc/85/36/49/424853649.db2.gz AJGNMVQIMAXWFO-CYBMUJFWSA-N 1 0 316.232 2.261 50 0 DEAARO CN1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397844151 269107285 /nfs/dbraw/zinc/10/72/85/269107285.db2.gz RLJOLAGJZITCRO-KGLIPLIRSA-N 1 0 311.470 2.362 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000069741493 273572194 /nfs/dbraw/zinc/57/21/94/273572194.db2.gz UNFGRCLCLJUXGX-MRXNPFEDSA-N 1 0 316.449 2.433 50 0 DEAARO COc1cc2c(cc1F)ncnc2N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000302589359 274102285 /nfs/dbraw/zinc/10/22/85/274102285.db2.gz VTPRDISDRXUBMC-NEPJUHHUSA-N 1 0 316.380 2.450 50 0 DEAARO COc1ccc2c(c1)C=C(C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])CO2 ZINC000237537291 274121872 /nfs/dbraw/zinc/12/18/72/274121872.db2.gz LMVJVSXYEJZCEM-BLLLJJGKSA-N 1 0 316.401 2.199 50 0 DEAARO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H](C)n1cccn1 ZINC000069920179 274511952 /nfs/dbraw/zinc/51/19/52/274511952.db2.gz VPDRCPDQYZNUKD-GJZGRUSLSA-N 1 0 312.417 2.402 50 0 DEAARO O=C1Nc2ccccc2NC12CC[NH+](C1CCOCC1)CC2 ZINC000082170570 275026137 /nfs/dbraw/zinc/02/61/37/275026137.db2.gz KAIAZBVPOUBGPG-UHFFFAOYSA-N 1 0 301.390 2.064 50 0 DEAARO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000121934845 276494492 /nfs/dbraw/zinc/49/44/92/276494492.db2.gz KVZFCCHBGKOULB-JSGCOSHPSA-N 1 0 306.406 2.436 50 0 DEAARO C[NH+](C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000545959 276828617 /nfs/dbraw/zinc/82/86/17/276828617.db2.gz OEHLTMGFSCJGHR-ZIAGYGMSSA-N 1 0 316.854 2.491 50 0 DEAARO CC(=O)Nc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000241587989 277065921 /nfs/dbraw/zinc/06/59/21/277065921.db2.gz OYUIXDKYUMVTLJ-UHFFFAOYSA-N 1 0 315.417 2.251 50 0 DEAARO COc1c2c(cc3c1[C@H](C[C@H](O)C(C)C)[N@H+](C)CC3)OCO2 ZINC000000485987 277365648 /nfs/dbraw/zinc/36/56/48/277365648.db2.gz YOXGNJRAWXKDHZ-STQMWFEESA-N 1 0 307.390 2.360 50 0 biogenic DEAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004280273 278201091 /nfs/dbraw/zinc/20/10/91/278201091.db2.gz DDRZTQYNAAAJIL-INIZCTEOSA-N 1 0 306.406 2.117 50 0 DEAARO CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1F ZINC000181009682 288049550 /nfs/dbraw/zinc/04/95/50/288049550.db2.gz AYRHKZKDWYZCDU-DOMZBBRYSA-N 1 0 314.426 2.290 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H]1[NH+](C)C ZINC000078896642 279788222 /nfs/dbraw/zinc/78/82/22/279788222.db2.gz LYVQQNOZMLTGGT-DOTOQJQBSA-N 1 0 316.445 2.143 50 0 DEAARO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000237809524 280793916 /nfs/dbraw/zinc/79/39/16/280793916.db2.gz LSZRVDMTJXKATH-LLVKDONJSA-N 1 0 322.352 2.126 50 0 DEAARO CC1(C)NC(=O)N(CC[N@H+](CC2CCCCC2)C2CC2)C1=O ZINC000052245132 281393648 /nfs/dbraw/zinc/39/36/48/281393648.db2.gz ROECXZNPVQNGSN-UHFFFAOYSA-N 1 0 307.438 2.362 50 0 DEAARO Cc1csc(N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)n1 ZINC000367245719 281718100 /nfs/dbraw/zinc/71/81/00/281718100.db2.gz GGGHAFAGFUKOQT-CYBMUJFWSA-N 1 0 322.478 2.067 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000069463775 293006315 /nfs/dbraw/zinc/00/63/15/293006315.db2.gz LUXKYSZNDKPHBF-LSDHHAIUSA-N 1 0 314.437 2.321 50 0 DEAARO C[C@H](CC(N)=O)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000038775067 298350906 /nfs/dbraw/zinc/35/09/06/298350906.db2.gz LDMWOHWLLYNMGD-IUODEOHRSA-N 1 0 309.841 2.330 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C[C@H]2CCCO2)c2ccccc12 ZINC000004189311 300951508 /nfs/dbraw/zinc/95/15/08/300951508.db2.gz LITRHYXJMAYHDP-JKSUJKDBSA-N 1 0 302.418 2.388 50 0 DEAARO CSCc1ccc(N2CCC([NH+]3CCC(O)CC3)CC2)nc1 ZINC000082087791 331989929 /nfs/dbraw/zinc/98/99/29/331989929.db2.gz HCWMCWARZYCUMF-UHFFFAOYSA-N 1 0 321.490 2.370 50 0 DEAARO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc(F)c1 ZINC000189128174 333063996 /nfs/dbraw/zinc/06/39/96/333063996.db2.gz QFIMJVNUVSOKMQ-CYBMUJFWSA-N 1 0 314.426 2.120 50 0 DEAARO CCn1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000189606972 333163632 /nfs/dbraw/zinc/16/36/32/333163632.db2.gz QSDWGVPNWIPFNP-CHWSQXEVSA-N 1 0 305.344 2.476 50 0 DEAARO Cc1ccc(OC[C@@H](C)NC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000534585039 334291648 /nfs/dbraw/zinc/29/16/48/334291648.db2.gz YKYBQDGSBPCIDR-OAHLLOKOSA-N 1 0 305.422 2.109 50 0 DEAARO C[NH+](C)C(C)(C)CNC(=O)N(Cc1ccc(O)cc1)C1CC1 ZINC000534643599 334306098 /nfs/dbraw/zinc/30/60/98/334306098.db2.gz HXOCZCPALLSXQA-UHFFFAOYSA-N 1 0 305.422 2.406 50 0 DEAARO O=C(NCC[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000534654361 334313220 /nfs/dbraw/zinc/31/32/20/334313220.db2.gz KZGSALAJPUGRIS-OAHLLOKOSA-N 1 0 319.453 2.175 50 0 DEAARO OC[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000095433511 337378312 /nfs/dbraw/zinc/37/83/12/337378312.db2.gz ZCLYVVLYFOZDRE-GXTWGEPZSA-N 1 0 317.351 2.313 50 0 DEAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccccc2)o1 ZINC000131182128 337383155 /nfs/dbraw/zinc/38/31/55/337383155.db2.gz QHLHNEPVBRCYEC-UBHSHLNASA-N 1 0 314.389 2.431 50 0 DEAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000246084865 534001736 /nfs/dbraw/zinc/00/17/36/534001736.db2.gz IETGUPJMMHSZBQ-FZMZJTMJSA-N 1 0 301.394 2.054 50 0 DEAARO CC(C)(O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000328588360 527299974 /nfs/dbraw/zinc/29/99/74/527299974.db2.gz OFUTXCYRVMGRJK-CVEARBPZSA-N 1 0 302.418 2.023 50 0 DEAARO C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)COC[C@H]1CCOC1 ZINC000241515680 527485998 /nfs/dbraw/zinc/48/59/98/527485998.db2.gz OGZXILHHUGCFJD-KBXIAJHMSA-N 1 0 317.520 2.399 50 0 DEAARO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)no1 ZINC000299754302 528276469 /nfs/dbraw/zinc/27/64/69/528276469.db2.gz FDYHQMRFRMAUIV-LSDHHAIUSA-N 1 0 322.453 2.268 50 0 DEAARO Cc1cccc(CN2CC[N@@H+](C/C=C/C(C)C)C[C@H]2CCO)n1 ZINC000105280586 634949149 /nfs/dbraw/zinc/94/91/49/634949149.db2.gz ZZBYMJUGGYXZDD-ZMBJWTFHSA-N 1 0 317.477 2.471 50 0 DEAARO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CC[C@@H](OC(F)F)C2)C1 ZINC000888099973 635554956 /nfs/dbraw/zinc/55/49/56/635554956.db2.gz MEAHHNUIDCLDPY-JHJVBQTASA-N 1 0 319.396 2.178 50 0 DEAARO c1ccc2c(c1)CC([NH2+]Cc1cccnc1N1CCOCC1)C2 ZINC000012301392 636031559 /nfs/dbraw/zinc/03/15/59/636031559.db2.gz QWHMZMFIMGSRFE-UHFFFAOYSA-N 1 0 309.413 2.175 50 0 DEAARO CCc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n(C)n1 ZINC000173208004 646763055 /nfs/dbraw/zinc/76/30/55/646763055.db2.gz SJLDZKSNRYHVDB-HNNXBMFYSA-N 1 0 319.453 2.369 50 0 DEAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000181566354 648697193 /nfs/dbraw/zinc/69/71/93/648697193.db2.gz HCMUFHHXEQNEHC-MRXNPFEDSA-N 1 0 310.463 2.125 50 0 DEAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC)C2 ZINC000014740781 683848990 /nfs/dbraw/zinc/84/89/90/683848990.db2.gz FQWYYYXKYUEIIL-AWEZNQCLSA-N 1 0 318.465 2.386 50 0 DEAARO Cc1ncc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)n1C ZINC000020908522 683859771 /nfs/dbraw/zinc/85/97/71/683859771.db2.gz QZULRIFTGIJBNC-SFHVURJKSA-N 1 0 324.472 2.450 50 0 DEAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCc2ncccc2C1 ZINC000072130646 683927493 /nfs/dbraw/zinc/92/74/93/683927493.db2.gz QSJRRKXTPAGMMG-CQSZACIVSA-N 1 0 307.397 2.357 50 0 DEAARO CCCNC(=O)N1CCC(Cc2[nH+]cc(C)n2CCOC)CC1 ZINC000581816733 777840988 /nfs/dbraw/zinc/84/09/88/777840988.db2.gz NAABSNCZVUELEV-UHFFFAOYSA-N 1 0 322.453 2.212 50 0 DEAARO COCC[N@@H+]1CC[C@@H](c2nc(C)nn2Cc2ccccc2)C1 ZINC000824412388 783593251 /nfs/dbraw/zinc/59/32/51/783593251.db2.gz LRUFMFYPBDTDJX-MRXNPFEDSA-N 1 0 300.406 2.071 50 0 DEAARO O=C(C[NH+]1CCCCCC1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000827832313 783693816 /nfs/dbraw/zinc/69/38/16/783693816.db2.gz XYIFKEQLRJAKSF-INIZCTEOSA-N 1 0 319.449 2.409 50 0 DEAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000828864973 783875643 /nfs/dbraw/zinc/87/56/43/783875643.db2.gz FDJHZQSGYLCZNE-WKILWMFISA-N 1 0 308.466 2.452 50 0 DEAARO O=C(Cc1ccsc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581788019 784776562 /nfs/dbraw/zinc/77/65/62/784776562.db2.gz OOJFOMPYQQHZBW-HNNXBMFYSA-N 1 0 322.474 2.252 50 0 DEAARO O=C(Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581787917 784776697 /nfs/dbraw/zinc/77/66/97/784776697.db2.gz JRRHSYLKOIAJPW-GOSISDBHSA-N 1 0 316.445 2.190 50 0 DEAARO C[C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000585089232 789692004 /nfs/dbraw/zinc/69/20/04/789692004.db2.gz VFZAXKVZAQTBPQ-LXTVHRRPSA-N 1 0 310.438 2.159 50 0 DEAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c(OC)c1OC ZINC000585116957 789703299 /nfs/dbraw/zinc/70/32/99/789703299.db2.gz NJLVZXZGDZPCPM-CQSZACIVSA-N 1 0 309.406 2.449 50 0 DEAARO CCSc1ccccc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000952869147 792786224 /nfs/dbraw/zinc/78/62/24/792786224.db2.gz XRMLHFKYBZFBGL-UHFFFAOYSA-N 1 0 307.463 2.375 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCNCc1coc(-c2ccccc2)n1 ZINC000952873216 792790436 /nfs/dbraw/zinc/79/04/36/792790436.db2.gz IVJQBPFUFKKECZ-KRWDZBQOSA-N 1 0 315.417 2.278 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1nccc2ccccc21 ZINC000952874847 792791116 /nfs/dbraw/zinc/79/11/16/792791116.db2.gz BXTQPKXWJXVDSC-TZMCWYRMSA-N 1 0 304.415 2.463 50 0 DEAARO CCCN1C[C@H]([NH2+]Cc2ccc3cccc(F)c3n2)CC1=O ZINC000952972502 792830972 /nfs/dbraw/zinc/83/09/72/792830972.db2.gz PTASDDHYMNLCIQ-CQSZACIVSA-N 1 0 301.365 2.474 50 0 DEAARO CC1(S(=O)(=O)NC2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC000952994929 792857867 /nfs/dbraw/zinc/85/78/67/792857867.db2.gz WXHMTMOMGRBVKK-UHFFFAOYSA-N 1 0 312.479 2.423 50 0 DEAARO CC(C)[C@H](NC(=O)CN(C)Cc1cccnc1)c1cccnc1 ZINC000952985656 792864945 /nfs/dbraw/zinc/86/49/45/792864945.db2.gz GHVVAEGBYKKQIL-SFHVURJKSA-N 1 0 312.417 2.422 50 0 DEAARO COc1cc(C[N@@H+]2C[C@H](O)[C@H](Cc3cc(C)no3)C2)ccc1F ZINC001529093825 1070850675 /nfs/dbraw/zinc/85/06/75/1070850675.db2.gz ACZLIWUVNVOHJX-CJNGLKHVSA-N 1 0 320.364 2.166 50 0 DEAARO CC(C)[C@H]1CN(C(=O)C[NH2+]C2CC2)C[C@@H](c2ccccc2)O1 ZINC001529153111 1070883693 /nfs/dbraw/zinc/88/36/93/1070883693.db2.gz QFBVWWDZNZPYBR-SJORKVTESA-N 1 0 302.418 2.363 50 0 DEAARO CC(C)(CN1CCN(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001506429753 1061975829 /nfs/dbraw/zinc/97/58/29/1061975829.db2.gz UWTNOIXZHQHZBS-UHFFFAOYSA-N 1 0 307.404 2.431 50 0 DEAARO CC[C@H](Cn1ccnc1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000822635808 1090641785 /nfs/dbraw/zinc/64/17/85/1090641785.db2.gz FPBHZBJZRAANEZ-CQSZACIVSA-N 1 0 316.405 2.281 50 0 DEAARO CC(=O)NCC1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095507247 185375480 /nfs/dbraw/zinc/37/54/80/185375480.db2.gz YAQORBLWWIOVEF-KRWDZBQOSA-N 1 0 316.445 2.476 50 0 DEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccncc1Cl ZINC000426652907 230809836 /nfs/dbraw/zinc/80/98/36/230809836.db2.gz LVPPYWLJCHADMB-UHFFFAOYSA-N 1 0 323.824 2.108 50 0 DEAARO C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)n1ccnc1 ZINC000078916718 185129393 /nfs/dbraw/zinc/12/93/93/185129393.db2.gz HDVKYKZAXHREFJ-LSDHHAIUSA-N 1 0 300.406 2.081 50 0 DEAARO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000079066696 185152597 /nfs/dbraw/zinc/15/25/97/185152597.db2.gz RHJLKACHRFFORA-HOCLYGCPSA-N 1 0 318.417 2.283 50 0 DEAARO Cc1cc(OCC(=O)Nc2c[nH+]ccc2N2CCCCC2)no1 ZINC000079041023 185148186 /nfs/dbraw/zinc/14/81/86/185148186.db2.gz ZLZPILLNNDPHGT-UHFFFAOYSA-N 1 0 316.361 2.386 50 0 DEAARO CCOc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC ZINC000089990987 185275327 /nfs/dbraw/zinc/27/53/27/185275327.db2.gz PTFPFEDLYGUAOF-XJKSGUPXSA-N 1 0 320.433 2.440 50 0 DEAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000090189129 185286394 /nfs/dbraw/zinc/28/63/94/185286394.db2.gz LPVCFQZEQMQIPF-GFCCVEGCSA-N 1 0 315.186 2.299 50 0 DEAARO COc1ccccc1N1CC[C@@H]([NH2+]C2CCSCC2)C1=O ZINC000090392486 185294172 /nfs/dbraw/zinc/29/41/72/185294172.db2.gz KLEYLEHYJJBDCU-CYBMUJFWSA-N 1 0 306.431 2.286 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccoc1)c1ccc2c(c1)CCO2 ZINC000090607250 185306570 /nfs/dbraw/zinc/30/65/70/185306570.db2.gz BQFXTUCMCFXEGG-HNNXBMFYSA-N 1 0 300.358 2.247 50 0 DEAARO CS(=O)(=O)c1cccc(OCC[N@H+](CC2CC2)C2CC2)c1 ZINC000095399425 185353746 /nfs/dbraw/zinc/35/37/46/185353746.db2.gz XSHQVXBZCKFERF-UHFFFAOYSA-N 1 0 309.431 2.343 50 0 DEAARO CNC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000095416398 185359051 /nfs/dbraw/zinc/35/90/51/185359051.db2.gz QPXNDBOXFYJVOW-UHFFFAOYSA-N 1 0 304.394 2.108 50 0 DEAARO [NH3+][C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000095432033 185363493 /nfs/dbraw/zinc/36/34/93/185363493.db2.gz DCPOXAFWNFJFEC-HNNXBMFYSA-N 1 0 324.833 2.459 50 0 DEAARO COc1ccccc1[C@@H](C)[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000095423659 185361234 /nfs/dbraw/zinc/36/12/34/185361234.db2.gz YYTCLIYTNVEEHT-PBHICJAKSA-N 1 0 320.433 2.229 50 0 DEAARO Cc1c(C(=O)NC[C@H]2Cc3ccccc3O2)ccc2c[nH+]cn21 ZINC000095465152 185371827 /nfs/dbraw/zinc/37/18/27/185371827.db2.gz SHZYLAUSDZOQDL-OAHLLOKOSA-N 1 0 307.353 2.376 50 0 DEAARO C[NH2+]C1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000097019650 185398182 /nfs/dbraw/zinc/39/81/82/185398182.db2.gz ICHGKCXEQBBLAI-UHFFFAOYSA-N 1 0 302.353 2.040 50 0 DEAARO Cc1nc(NC2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1C ZINC000065307519 539344520 /nfs/dbraw/zinc/34/45/20/539344520.db2.gz RZSPYFFGJUYYTN-UHFFFAOYSA-N 1 0 312.417 2.463 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)CCC[C@@H](O)c1ccccc1 ZINC000328597114 529901505 /nfs/dbraw/zinc/90/15/05/529901505.db2.gz DOFSAUYMOPMLRZ-QGZVFWFLSA-N 1 0 304.434 2.443 50 0 DEAARO CC(C)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000083721631 539390813 /nfs/dbraw/zinc/39/08/13/539390813.db2.gz VIZKXQUTBQXRLX-JKSUJKDBSA-N 1 0 311.470 2.175 50 0 DEAARO CSC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083990578 539391210 /nfs/dbraw/zinc/39/12/10/539391210.db2.gz LADMLIXTCCCBKU-LLVKDONJSA-N 1 0 311.426 2.421 50 0 DEAARO Cc1nc(C)c(C[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)s1 ZINC000084062484 539392399 /nfs/dbraw/zinc/39/23/99/539392399.db2.gz YANQFUQRWPRJHI-WFASDCNBSA-N 1 0 306.435 2.361 50 0 DEAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](Cc3cnc(C)s3)C2)o1 ZINC000084258983 539394462 /nfs/dbraw/zinc/39/44/62/539394462.db2.gz PIOPNBMLEFDZQD-CYBMUJFWSA-N 1 0 306.435 2.454 50 0 DEAARO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000107355911 185477613 /nfs/dbraw/zinc/47/76/13/185477613.db2.gz XBJJHQDGFPXVLS-CKEIUWERSA-N 1 0 321.469 2.291 50 0 DEAARO Cc1ccc([C@H]([NH2+]CCN2CCCS2(=O)=O)C2CC2)cc1 ZINC000091372792 539419175 /nfs/dbraw/zinc/41/91/75/539419175.db2.gz JUAMRDGOWGMKEX-INIZCTEOSA-N 1 0 308.447 2.071 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)CCc2cnccn2)[NH+](C)C)cc1 ZINC000279618271 215008961 /nfs/dbraw/zinc/00/89/61/215008961.db2.gz GOZTWEIXOUBUIR-QGZVFWFLSA-N 1 0 312.417 2.137 50 0 DEAARO C[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070177368 190868132 /nfs/dbraw/zinc/86/81/32/190868132.db2.gz CEDRIYMHOGJHBE-CMPLNLGQSA-N 1 0 302.827 2.088 50 0 DEAARO CCCOc1ccc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000254993982 282605863 /nfs/dbraw/zinc/60/58/63/282605863.db2.gz VIDCFXLTOODVQJ-BRLPQQTGSA-N 1 0 304.390 2.057 50 0 DEAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)on2)cn1 ZINC000184985501 539670360 /nfs/dbraw/zinc/67/03/60/539670360.db2.gz KGWPRCBFXOWKKA-LBPRGKRZSA-N 1 0 312.377 2.178 50 0 DEAARO CN(CC[N@H+](C)C[C@H](O)COc1ccccc1)c1ccccc1 ZINC000083860883 192388009 /nfs/dbraw/zinc/38/80/09/192388009.db2.gz JOVRHCPTWRYSQQ-SFHVURJKSA-N 1 0 314.429 2.495 50 0 DEAARO CC(C)(CN1CCCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000216011164 539726099 /nfs/dbraw/zinc/72/60/99/539726099.db2.gz SSTWGRVIUBBTOP-UHFFFAOYSA-N 1 0 317.481 2.111 50 0 DEAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946679 539728449 /nfs/dbraw/zinc/72/84/49/539728449.db2.gz KZNICRHYGRPNPP-KGLIPLIRSA-N 1 0 321.446 2.228 50 0 DEAARO O=C(/C=C\c1ccccc1Br)N1CCC[NH2+]CC1 ZINC000255601830 282651488 /nfs/dbraw/zinc/65/14/88/282651488.db2.gz BWRVYTRMMRITLU-SREVYHEPSA-N 1 0 309.207 2.284 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2cnccn2)CCC[N@@H+]1CC1CC1 ZINC000071751477 191021935 /nfs/dbraw/zinc/02/19/35/191021935.db2.gz JJEXLBZQKHHPON-MRXNPFEDSA-N 1 0 302.422 2.059 50 0 DEAARO C[C@@H]([NH3+])C(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000071754138 191024632 /nfs/dbraw/zinc/02/46/32/191024632.db2.gz QLLMVHJFBNPBFG-GFCCVEGCSA-N 1 0 320.396 2.462 50 0 DEAARO CN1c2ccccc2[C@]2(CCC[N@H+](Cc3cccnc3N)C2)C1=O ZINC000072123880 191041653 /nfs/dbraw/zinc/04/16/53/191041653.db2.gz SUKMDHXDRQXVAR-LJQANCHMSA-N 1 0 322.412 2.174 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(c2noc(-c3ccccc3)n2)CC1 ZINC000072146659 191053725 /nfs/dbraw/zinc/05/37/25/191053725.db2.gz AKONCBWUHZWCOS-KRWDZBQOSA-N 1 0 316.405 2.020 50 0 DEAARO Cn1cc([C@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000095423301 282676994 /nfs/dbraw/zinc/67/69/94/282676994.db2.gz BCKMMLAXHHBIGE-HZPDHXFCSA-N 1 0 313.401 2.490 50 0 DEAARO COC[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000072255228 191088786 /nfs/dbraw/zinc/08/87/86/191088786.db2.gz LPRYUARJPGJGEP-HOTGVXAUSA-N 1 0 311.470 2.319 50 0 DEAARO CCN1CCO[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000072268805 191090432 /nfs/dbraw/zinc/09/04/32/191090432.db2.gz JEHKTBTVNFBLAP-LLVKDONJSA-N 1 0 319.268 2.321 50 0 DEAARO CC[C@@H]1CN(CCOc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000072279687 191099399 /nfs/dbraw/zinc/09/93/99/191099399.db2.gz SAMFDMCCOVCRPX-IAGOWNOFSA-N 1 0 306.450 2.151 50 0 DEAARO CCCS(=O)(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000225626331 186284308 /nfs/dbraw/zinc/28/43/08/186284308.db2.gz YAQDKZQFKAOPAK-CQSZACIVSA-N 1 0 304.500 2.462 50 0 DEAARO Cc1c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237495831 186297288 /nfs/dbraw/zinc/29/72/88/186297288.db2.gz ICXINVITJNNAPK-TZMCWYRMSA-N 1 0 319.453 2.067 50 0 DEAARO COc1ccc(COC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000000064504 180682112 /nfs/dbraw/zinc/68/21/12/180682112.db2.gz OOYVJBXDOVKDRW-HNNXBMFYSA-N 1 0 309.406 2.067 50 0 DEAARO Cc1ncc2c(c1CNC(=O)c1ccc(F)c(F)c1)CC[NH2+]C2 ZINC000072420130 191157242 /nfs/dbraw/zinc/15/72/42/191157242.db2.gz VLZXCFRJKIUVAJ-UHFFFAOYSA-N 1 0 317.339 2.244 50 0 DEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)ccc1OC ZINC000072414626 191155520 /nfs/dbraw/zinc/15/55/20/191155520.db2.gz LOPHHVPQDXIIIQ-UHFFFAOYSA-N 1 0 314.451 2.014 50 0 DEAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072427921 191160970 /nfs/dbraw/zinc/16/09/70/191160970.db2.gz VZGNCJLLVSNHDX-QGZVFWFLSA-N 1 0 318.461 2.348 50 0 DEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1ccccc1Cn1cccn1 ZINC000299755859 539859922 /nfs/dbraw/zinc/85/99/22/539859922.db2.gz FSNKVSDMRXQWHE-QAPCUYQASA-N 1 0 324.428 2.032 50 0 DEAARO Clc1ccccc1OCCNc1ncnc2c1CC[NH2+]CC2 ZINC000072476023 191177990 /nfs/dbraw/zinc/17/79/90/191177990.db2.gz PCLJIZULSGHWFE-UHFFFAOYSA-N 1 0 318.808 2.309 50 0 DEAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000072476513 191178635 /nfs/dbraw/zinc/17/86/35/191178635.db2.gz PVOIIRVNPOYHIT-MRXNPFEDSA-N 1 0 308.809 2.449 50 0 DEAARO Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@@H]3CCC[NH2+]3)cc2F)c1 ZINC000072500778 191184038 /nfs/dbraw/zinc/18/40/38/191184038.db2.gz GQMRLCPXUISRCN-WFASDCNBSA-N 1 0 316.380 2.249 50 0 DEAARO CCNC(=O)COc1ccc(C[NH2+]C(CC)CC)cc1OC ZINC000072659159 191209516 /nfs/dbraw/zinc/20/95/16/191209516.db2.gz NMIHJGZDOWHGRK-UHFFFAOYSA-N 1 0 308.422 2.488 50 0 DEAARO COc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc(OC)c1O ZINC000015636437 354034608 /nfs/dbraw/zinc/03/46/08/354034608.db2.gz HDZDEQQWQJQJPK-YLQAJVPDSA-N 1 0 307.390 2.365 50 0 DEAARO Cc1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000051097836 354379698 /nfs/dbraw/zinc/37/96/98/354379698.db2.gz PACDAOWKDVHQJH-UHFFFAOYSA-N 1 0 313.401 2.420 50 0 DEAARO O=C1C[C@@H]([NH2+]CCc2cccs2)C(=O)N1c1ccccc1 ZINC000004689936 181137076 /nfs/dbraw/zinc/13/70/76/181137076.db2.gz HNPRGEQPGGYUDV-CQSZACIVSA-N 1 0 300.383 2.212 50 0 DEAARO O=C(CCn1ccnc1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525152 354817496 /nfs/dbraw/zinc/81/74/96/354817496.db2.gz UQOOPSZWOFRWTN-HNNXBMFYSA-N 1 0 304.438 2.187 50 0 DEAARO O=C(CCCc1ccccc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269323 354900015 /nfs/dbraw/zinc/90/00/15/354900015.db2.gz BLGQFERAJUGIBT-ROUUACIJSA-N 1 0 316.445 2.067 50 0 DEAARO CCn1ccnc1C[NH2+]C[C@@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000076042705 355120703 /nfs/dbraw/zinc/12/07/03/355120703.db2.gz WKDRVJLHUUYXHJ-YOEHRIQHSA-N 1 0 317.437 2.121 50 0 DEAARO Cc1nc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)n2cccn2)sc1C ZINC000075606727 355095904 /nfs/dbraw/zinc/09/59/04/355095904.db2.gz GOLMKYLBCXNYGN-GXSJLCMTSA-N 1 0 307.423 2.134 50 0 DEAARO Cc1cc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)ccn1 ZINC000073610056 191330463 /nfs/dbraw/zinc/33/04/63/191330463.db2.gz XINKVDQAJPFVKZ-UHFFFAOYSA-N 1 0 324.428 2.390 50 0 DEAARO CCOc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000078896504 355284116 /nfs/dbraw/zinc/28/41/16/355284116.db2.gz QIMYWNATLFJALR-ZYHUDNBSSA-N 1 0 311.813 2.156 50 0 DEAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccccc1 ZINC000004993670 181186855 /nfs/dbraw/zinc/18/68/55/181186855.db2.gz PPWJWBNGFTXWOM-HNNXBMFYSA-N 1 0 307.434 2.440 50 0 DEAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1cccnc1 ZINC000004999713 181188230 /nfs/dbraw/zinc/18/82/30/181188230.db2.gz VCQZWSJMHPCRNY-UHFFFAOYSA-N 1 0 322.792 2.405 50 0 DEAARO COc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000084714954 355485778 /nfs/dbraw/zinc/48/57/78/355485778.db2.gz YFQQPIPOHLYFTN-BBRMVZONSA-N 1 0 302.418 2.432 50 0 DEAARO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)o1 ZINC000107140884 355727388 /nfs/dbraw/zinc/72/73/88/355727388.db2.gz XBSNCQQVOCCXSR-CABCVRRESA-N 1 0 307.438 2.341 50 0 DEAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@@H]1C ZINC000161896502 355969576 /nfs/dbraw/zinc/96/95/76/355969576.db2.gz UDEBMNZVKQDFPN-SPWCGHHHSA-N 1 0 305.422 2.225 50 0 DEAARO O=C(NCc1c(F)cccc1F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000195543134 356256354 /nfs/dbraw/zinc/25/63/54/356256354.db2.gz CLHRFIJIVOBAAB-MRXNPFEDSA-N 1 0 302.324 2.468 50 0 DEAARO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000195558177 356257225 /nfs/dbraw/zinc/25/72/25/356257225.db2.gz CLEJBCNYXVUUHK-CYBMUJFWSA-N 1 0 300.406 2.044 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000253369994 356336408 /nfs/dbraw/zinc/33/64/08/356336408.db2.gz KVYFSADUAFVZAV-INDMIFKZSA-N 1 0 322.493 2.306 50 0 DEAARO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000285069063 356370334 /nfs/dbraw/zinc/37/03/34/356370334.db2.gz PAANBGQHRIUXLJ-GHMZBOCLSA-N 1 0 319.327 2.348 50 0 DEAARO CCOc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1OCC ZINC000236911740 202067496 /nfs/dbraw/zinc/06/74/96/202067496.db2.gz JBZBVISCUFUQKD-OCCSQVGLSA-N 1 0 306.406 2.354 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000418016113 283188560 /nfs/dbraw/zinc/18/85/60/283188560.db2.gz WKGLUBBJTOEFGQ-KGLIPLIRSA-N 1 0 311.447 2.314 50 0 DEAARO CCCOc1c(Cl)cc(C(=O)N2CC[C@H]([NH3+])C2)cc1OC ZINC000237014175 202122527 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O=C(Nc1c[nH+]ccc1NC1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000585139264 357338332 /nfs/dbraw/zinc/33/83/32/357338332.db2.gz JEJMLEQMPVLLQU-UHFFFAOYSA-N 1 0 322.368 2.215 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000179011670 198968234 /nfs/dbraw/zinc/96/82/34/198968234.db2.gz MVTNRLGYVYJQER-ZDUSSCGKSA-N 1 0 306.406 2.164 50 0 DEAARO C[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000237592259 202297083 /nfs/dbraw/zinc/29/70/83/202297083.db2.gz LNYBWCCJAKIZEV-NSHDSACASA-N 1 0 316.323 2.338 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000238037027 283507362 /nfs/dbraw/zinc/50/73/62/283507362.db2.gz UTQQTVBBHCAMIY-LLVKDONJSA-N 1 0 302.296 2.034 50 0 DEAARO COc1cccc(OCCC[N@H+](C)[C@@H](C)C(=O)N2CCCC2)c1 ZINC000243919582 202479914 /nfs/dbraw/zinc/47/99/14/202479914.db2.gz BPFQIICENIDUBI-HNNXBMFYSA-N 1 0 320.433 2.407 50 0 DEAARO C[N@H+](C[C@H]1CCCOC1)CC1(N2CCOCC2)CCCCC1 ZINC000670457303 540936501 /nfs/dbraw/zinc/93/65/01/540936501.db2.gz SCUMFSIUPRDRTA-QGZVFWFLSA-N 1 0 310.482 2.380 50 0 DEAARO Cc1nncn1CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000670468252 540938041 /nfs/dbraw/zinc/93/80/41/540938041.db2.gz WIHVWTUNYIXVLR-UHFFFAOYSA-N 1 0 300.406 2.438 50 0 DEAARO C[C@@H]1C[C@@H](NC(=O)Nc2ccncn2)C[N@@H+]1Cc1ccccc1 ZINC000194051605 201169551 /nfs/dbraw/zinc/16/95/51/201169551.db2.gz VMGJNFNQANOUPK-UKRRQHHQSA-N 1 0 311.389 2.261 50 0 DEAARO O=C(c1cccc(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620490315 364064617 /nfs/dbraw/zinc/06/46/17/364064617.db2.gz XXNKHOAIGPQMPT-OAHLLOKOSA-N 1 0 308.809 2.011 50 0 DEAARO CCCCC[NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000006587386 181357965 /nfs/dbraw/zinc/35/79/65/181357965.db2.gz ATVGAMZPLMVBAV-HNNXBMFYSA-N 1 0 309.406 2.417 50 0 DEAARO C[C@@H]([NH2+]CCc1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000006586859 181357568 /nfs/dbraw/zinc/35/75/68/181357568.db2.gz MEMOSDHVVPGLLJ-CQSZACIVSA-N 1 0 317.433 2.366 50 0 DEAARO COc1ccc(C(=O)NN2Cc3ccccc3C2=[NH2+])cc1OC ZINC000006679016 181369466 /nfs/dbraw/zinc/36/94/66/181369466.db2.gz HKWUCDVPJKWMJV-UHFFFAOYSA-N 1 0 311.341 2.190 50 0 DEAARO Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091327084 193041874 /nfs/dbraw/zinc/04/18/74/193041874.db2.gz GXSWFKURFFJFTF-UHFFFAOYSA-N 1 0 314.433 2.031 50 0 DEAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000091398582 193049874 /nfs/dbraw/zinc/04/98/74/193049874.db2.gz BWAJYYPQMPKUOF-FZMZJTMJSA-N 1 0 301.839 2.438 50 0 DEAARO Cc1ccc(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)s1 ZINC000091441321 193056182 /nfs/dbraw/zinc/05/61/82/193056182.db2.gz ALGNTQOCVKJNNW-QWHCGFSZSA-N 1 0 316.492 2.263 50 0 DEAARO Cc1noc(C)c1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091551706 193072683 /nfs/dbraw/zinc/07/26/83/193072683.db2.gz SSWXJYKKBQWIST-PXAZEXFGSA-N 1 0 308.422 2.291 50 0 DEAARO C[C@H]([NH3+])C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000091563094 193073375 /nfs/dbraw/zinc/07/33/75/193073375.db2.gz VDQFEGILMHQNPI-JTQLQIEISA-N 1 0 316.323 2.422 50 0 DEAARO C[N@H+](CCc1cn[nH]c1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091505483 193066199 /nfs/dbraw/zinc/06/61/99/193066199.db2.gz ANTWSJYKKVCJRV-UHFFFAOYSA-N 1 0 300.337 2.477 50 0 DEAARO O=C(N[C@@H]1C[NH2+]CC[C@H]1O)c1ccc(-c2ccccc2Cl)o1 ZINC000091649870 193085302 /nfs/dbraw/zinc/08/53/02/193085302.db2.gz CPVXIEJLTCKNQR-CHWSQXEVSA-N 1 0 320.776 2.053 50 0 DEAARO [NH3+][C@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1C1CC1 ZINC000091665194 193088083 /nfs/dbraw/zinc/08/80/83/193088083.db2.gz SJLFNEDGNFVMEY-SJORKVTESA-N 1 0 302.418 2.179 50 0 DEAARO CN(Cc1cnc2ccccn12)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091691283 193093046 /nfs/dbraw/zinc/09/30/46/193093046.db2.gz YGKWZQVGTUOSEI-OAHLLOKOSA-N 1 0 300.406 2.167 50 0 DEAARO CC1(C)C[N@H+](CCC(=O)N2CCc3ccccc3C2)C[C@]1(C)O ZINC000091896715 193124070 /nfs/dbraw/zinc/12/40/70/193124070.db2.gz ULJZYASRAMPCMY-IBGZPJMESA-N 1 0 316.445 2.054 50 0 DEAARO C[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)CC[C@@]1(O)C1CC1 ZINC000091933831 193128940 /nfs/dbraw/zinc/12/89/40/193128940.db2.gz ZMDDDULANOBEQG-KDOFPFPSSA-N 1 0 308.466 2.166 50 0 DEAARO CCc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)s1 ZINC000091943263 193129545 /nfs/dbraw/zinc/12/95/45/193129545.db2.gz YXDKKWOQOAPIML-ZIAGYGMSSA-N 1 0 322.474 2.493 50 0 DEAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)ccc1F ZINC000091974239 193134990 /nfs/dbraw/zinc/13/49/90/193134990.db2.gz AHIMEECNZAJWGA-LSDHHAIUSA-N 1 0 306.381 2.277 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)Cc1noc2ccccc12 ZINC000219329034 201554372 /nfs/dbraw/zinc/55/43/72/201554372.db2.gz HZFHHSWMVIYSCM-UHFFFAOYSA-N 1 0 310.357 2.302 50 0 DEAARO Cc1nc2ccccn2c1C(=O)NCCNc1cc[nH+]cc1C ZINC000223107309 201632248 /nfs/dbraw/zinc/63/22/48/201632248.db2.gz SDPWBLFKMUHHAO-UHFFFAOYSA-N 1 0 309.373 2.188 50 0 DEAARO CC1(C)CC(Nc2cc(C3CC(O)C3)ncn2)CC(C)(C)[NH2+]1 ZINC000223203476 201636411 /nfs/dbraw/zinc/63/64/11/201636411.db2.gz KKZNFYQNDUUACD-UHFFFAOYSA-N 1 0 304.438 2.436 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)n[nH]1 ZINC000229386683 284059273 /nfs/dbraw/zinc/05/92/73/284059273.db2.gz RTCYCUNUGQTENB-RISCZKNCSA-N 1 0 300.362 2.026 50 0 DEAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(C2OCCO2)c1 ZINC000096486259 193666361 /nfs/dbraw/zinc/66/63/61/193666361.db2.gz HZGIZELLBREJFZ-UHFFFAOYSA-N 1 0 318.417 2.338 50 0 DEAARO C[NH+](C)CCCNC(=O)Cc1cc(-c2ccc(F)cc2)on1 ZINC000012864344 181804925 /nfs/dbraw/zinc/80/49/25/181804925.db2.gz HGNSGFRIPOAWTO-UHFFFAOYSA-N 1 0 305.353 2.091 50 0 DEAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)c1 ZINC000014250040 181943301 /nfs/dbraw/zinc/94/33/01/181943301.db2.gz MECNFIULPMZUJR-CQSZACIVSA-N 1 0 305.422 2.436 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1noc2ccccc12 ZINC000015675035 182012047 /nfs/dbraw/zinc/01/20/47/182012047.db2.gz XDMWQPKNMPZONS-ZDUSSCGKSA-N 1 0 301.390 2.361 50 0 DEAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000016606558 182053328 /nfs/dbraw/zinc/05/33/28/182053328.db2.gz XRBCCIPTEYOBFX-UHFFFAOYSA-N 1 0 302.418 2.066 50 0 DEAARO OCC[C@@H]1C[N@H+](CC2CC2)CCN1CCCc1ccccc1 ZINC000019226050 182108421 /nfs/dbraw/zinc/10/84/21/182108421.db2.gz OZJGYOPGXPQDRS-LJQANCHMSA-N 1 0 302.462 2.398 50 0 DEAARO COc1ccc(-c2noc(CN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000019741050 182141822 /nfs/dbraw/zinc/14/18/22/182141822.db2.gz QGVQZJDGEYZEDF-CQSZACIVSA-N 1 0 314.389 2.025 50 0 DEAARO Cc1cc(Br)ccc1OCCN1CC[NH+](C)CC1 ZINC000020118736 182188878 /nfs/dbraw/zinc/18/88/78/182188878.db2.gz GQWGXEMNDRRGEP-UHFFFAOYSA-N 1 0 313.239 2.384 50 0 DEAARO COC(=O)c1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020168238 182194592 /nfs/dbraw/zinc/19/45/92/182194592.db2.gz HFVCAINVKHYNOM-ZIAGYGMSSA-N 1 0 307.390 2.351 50 0 DEAARO CC[NH+]1CCN(CCOc2cccc(Br)c2)CC1 ZINC000020406302 182214842 /nfs/dbraw/zinc/21/48/42/182214842.db2.gz KKWSUJALWOPWSH-UHFFFAOYSA-N 1 0 313.239 2.465 50 0 DEAARO c1c(-c2cccnc2)nnn1C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000020539323 182228708 /nfs/dbraw/zinc/22/87/08/182228708.db2.gz VKBQSICQHAPUIE-OAHLLOKOSA-N 1 0 315.446 2.483 50 0 DEAARO Clc1ccc(SCC[NH2+]CCN2CCOCC2)cc1 ZINC000022385713 182320436 /nfs/dbraw/zinc/32/04/36/182320436.db2.gz KTHUAXUPBGLEOF-UHFFFAOYSA-N 1 0 300.855 2.354 50 0 DEAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)[NH+](C)C)c1C ZINC000022754764 182332457 /nfs/dbraw/zinc/33/24/57/182332457.db2.gz BZTOCZNCHHDUTE-CYBMUJFWSA-N 1 0 323.437 2.124 50 0 DEAARO CCc1nnsc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000022683180 182330570 /nfs/dbraw/zinc/33/05/70/182330570.db2.gz YOALEFXRWTYDEX-CYBMUJFWSA-N 1 0 322.409 2.272 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000023145304 182351184 /nfs/dbraw/zinc/35/11/84/182351184.db2.gz ZQFMBADHSUWNQI-HNNXBMFYSA-N 1 0 312.404 2.489 50 0 DEAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(CCOCCO)CC1 ZINC000023280073 182355509 /nfs/dbraw/zinc/35/55/09/182355509.db2.gz AVTYPZOEMRMLSB-GOSISDBHSA-N 1 0 312.498 2.386 50 0 DEAARO CCOc1ccc(C(=O)NCC2CC[NH+](CCOC)CC2)cc1 ZINC000023014278 182344957 /nfs/dbraw/zinc/34/49/57/182344957.db2.gz DUUGEOKXKOCXEN-UHFFFAOYSA-N 1 0 320.433 2.174 50 0 DEAARO COc1ccccc1[C@@H](CNc1cc(Cl)nc(N)n1)[NH+](C)C ZINC000024056473 182374184 /nfs/dbraw/zinc/37/41/84/182374184.db2.gz RFCBIOHTMMEXGC-LLVKDONJSA-N 1 0 321.812 2.436 50 0 DEAARO CCc1ccc([C@@H](CNC(=O)c2cnc(C)cn2)[NH+](C)C)cc1 ZINC000039975676 183025623 /nfs/dbraw/zinc/02/56/23/183025623.db2.gz OVBFBRGHCBXJCN-QGZVFWFLSA-N 1 0 312.417 2.380 50 0 DEAARO CNc1snc(C)c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000040108839 183036809 /nfs/dbraw/zinc/03/68/09/183036809.db2.gz BBNOGNRRICNNQM-NSHDSACASA-N 1 0 310.467 2.345 50 0 DEAARO O=C(Nc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000040513537 183087946 /nfs/dbraw/zinc/08/79/46/183087946.db2.gz QFOZKPUTPCPKOE-INIZCTEOSA-N 1 0 303.406 2.405 50 0 DEAARO Cc1cc(C)cc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000041362386 183186643 /nfs/dbraw/zinc/18/66/43/183186643.db2.gz BDGRWGHKCMRHDP-UHFFFAOYSA-N 1 0 303.450 2.061 50 0 DEAARO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCc2ccccc21 ZINC000041626612 183212016 /nfs/dbraw/zinc/21/20/16/183212016.db2.gz ICUFASYBTASECL-HNNXBMFYSA-N 1 0 315.417 2.326 50 0 DEAARO COc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)cc(OC)c1 ZINC000042227481 183244420 /nfs/dbraw/zinc/24/44/20/183244420.db2.gz PYBVDDFFZZNFHT-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO COCC[NH+]1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000042122594 183233571 /nfs/dbraw/zinc/23/35/71/183233571.db2.gz GQHKSCFKXPUVIS-UHFFFAOYSA-N 1 0 303.381 2.138 50 0 DEAARO O=C(NC[C@H]1CCCO1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042864150 183314817 /nfs/dbraw/zinc/31/48/17/183314817.db2.gz BVHQJMFFKFDDCJ-CQSZACIVSA-N 1 0 323.462 2.144 50 0 DEAARO Ic1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000042782970 183309445 /nfs/dbraw/zinc/30/94/45/183309445.db2.gz JJWCKYABGXNQGC-LLVKDONJSA-N 1 0 303.143 2.170 50 0 DEAARO Cc1nnc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000043412400 183360918 /nfs/dbraw/zinc/36/09/18/183360918.db2.gz MWTLZQRGUJENPR-LLVKDONJSA-N 1 0 321.406 2.398 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC3CC3)C[C@H]2CCO)cc1C ZINC000104351971 194000682 /nfs/dbraw/zinc/00/06/82/194000682.db2.gz MVKDYMTZSCHEHY-GOSISDBHSA-N 1 0 318.461 2.282 50 0 DEAARO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c(C(C)C)c2)C1 ZINC000096492279 284734390 /nfs/dbraw/zinc/73/43/90/284734390.db2.gz GEMHMJYJUWOAQS-CQSZACIVSA-N 1 0 319.449 2.302 50 0 DEAARO Cc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000106410216 194209410 /nfs/dbraw/zinc/20/94/10/194209410.db2.gz HTLOMFSQCYDDFY-UHFFFAOYSA-N 1 0 322.405 2.114 50 0 DEAARO CCOCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000058144395 184080978 /nfs/dbraw/zinc/08/09/78/184080978.db2.gz GUZFIFPDFUYFFD-UHFFFAOYSA-N 1 0 312.841 2.373 50 0 DEAARO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058424888 184116221 /nfs/dbraw/zinc/11/62/21/184116221.db2.gz KAOWURKSHPHOFQ-SJORKVTESA-N 1 0 302.418 2.403 50 0 DEAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(C)c1 ZINC000058440327 184118786 /nfs/dbraw/zinc/11/87/86/184118786.db2.gz KTXCCORTPCMMRD-INIZCTEOSA-N 1 0 324.490 2.373 50 0 DEAARO CC(C)C(=O)NC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000060215567 184145757 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Cc1cc(C)n(CCC[N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)n1 ZINC000065372684 184330462 /nfs/dbraw/zinc/33/04/62/184330462.db2.gz AMHZHOGLGLRYIV-HNNXBMFYSA-N 1 0 306.454 2.269 50 0 DEAARO Cc1nc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000065414305 184340698 /nfs/dbraw/zinc/34/06/98/184340698.db2.gz UTCKAEOTHTYMGM-OAHLLOKOSA-N 1 0 322.478 2.264 50 0 DEAARO C[C@@H](Cc1cnccn1)[NH2+]CC(=O)NC1CCCCCCC1 ZINC000065459767 184348025 /nfs/dbraw/zinc/34/80/25/184348025.db2.gz LUQPKGXOIBXDFL-AWEZNQCLSA-N 1 0 304.438 2.226 50 0 DEAARO [NH3+]CCc1nc2ccccc2c(N[C@@H](CO)c2ccccc2)n1 ZINC000065466851 184349961 /nfs/dbraw/zinc/34/99/61/184349961.db2.gz XYKPYJYCERDCQT-INIZCTEOSA-N 1 0 308.385 2.277 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C[C@@H]1CCCO1 ZINC000065403237 184337492 /nfs/dbraw/zinc/33/74/92/184337492.db2.gz MAELWFUEHZYBQH-LBPRGKRZSA-N 1 0 312.797 2.446 50 0 DEAARO CC(=O)NCCC1=CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000065532951 184361672 /nfs/dbraw/zinc/36/16/72/184361672.db2.gz YEXGBFXCHTVZDY-UHFFFAOYSA-N 1 0 302.374 2.074 50 0 DEAARO COCCN1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000065548938 184364568 /nfs/dbraw/zinc/36/45/68/184364568.db2.gz CNWYAMGONXKVNI-UHFFFAOYSA-N 1 0 314.433 2.277 50 0 DEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000065611155 184373292 /nfs/dbraw/zinc/37/32/92/184373292.db2.gz DTEFQTOAAVYSIG-GFCCVEGCSA-N 1 0 319.232 2.422 50 0 DEAARO Cc1cccc([C@@H](C(=O)NCc2ccc(C[NH3+])cc2)N(C)C)c1 ZINC000065496013 184355104 /nfs/dbraw/zinc/35/51/04/184355104.db2.gz BRGAVPNOOMAWTL-SFHVURJKSA-N 1 0 311.429 2.373 50 0 DEAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCCOCCOC)c1 ZINC000065613092 184373724 /nfs/dbraw/zinc/37/37/24/184373724.db2.gz MCCKLRGAIDRROY-UHFFFAOYSA-N 1 0 322.449 2.198 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC000066137376 184392022 /nfs/dbraw/zinc/39/20/22/184392022.db2.gz UWMXVTLZSQXQQR-GFCCVEGCSA-N 1 0 302.374 2.253 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000269209279 207328347 /nfs/dbraw/zinc/32/83/47/207328347.db2.gz 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Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000071876703 401691057 /nfs/dbraw/zinc/69/10/57/401691057.db2.gz SIYDTFCWZHCLAG-INIZCTEOSA-N 1 0 312.417 2.473 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000071876704 401691156 /nfs/dbraw/zinc/69/11/56/401691156.db2.gz SIYDTFCWZHCLAG-MRXNPFEDSA-N 1 0 312.417 2.473 50 0 DEAARO CC/C=C(\C)C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000071900328 401694696 /nfs/dbraw/zinc/69/46/96/401694696.db2.gz FNGAKXWXQFXLAL-OMCISZLKSA-N 1 0 307.482 2.361 50 0 DEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OC)c1 ZINC000000543967 401700566 /nfs/dbraw/zinc/70/05/66/401700566.db2.gz UJGIOLPSRNVVDU-OAHLLOKOSA-N 1 0 323.356 2.341 50 0 DEAARO O[C@H](CN1c2ccccc2N2CC[NH+]=C12)c1ccc2c(c1)OCO2 ZINC000000548454 401701073 /nfs/dbraw/zinc/70/10/73/401701073.db2.gz AUSZIBBUZHVDLH-OAHLLOKOSA-N 1 0 323.352 2.145 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000072267884 401704740 /nfs/dbraw/zinc/70/47/40/401704740.db2.gz 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COc1ccccc1C1(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000076050846 401779123 /nfs/dbraw/zinc/77/91/23/401779123.db2.gz FNZSOHORXYKYBB-DZGCQCFKSA-N 1 0 302.418 2.135 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000012170314 401781098 /nfs/dbraw/zinc/78/10/98/401781098.db2.gz MYTGYLYFMWBPSL-IJEWVQPXSA-N 1 0 321.417 2.271 50 0 DEAARO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)occ1O ZINC000076089875 401781869 /nfs/dbraw/zinc/78/18/69/401781869.db2.gz WGSNSQMAENBEJV-ZBFHGGJFSA-N 1 0 315.369 2.434 50 0 DEAARO COc1cc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000012418004 401784936 /nfs/dbraw/zinc/78/49/36/401784936.db2.gz UZGUNDTXQXDRMA-BETUJISGSA-N 1 0 322.405 2.142 50 0 DEAARO COc1ccc(OCC(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012442791 401786426 /nfs/dbraw/zinc/78/64/26/401786426.db2.gz DHURYIQXKDWBEM-UHFFFAOYSA-N 1 0 320.433 2.311 50 0 DEAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)on1 ZINC000012543112 401787678 /nfs/dbraw/zinc/78/76/78/401787678.db2.gz 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402242313 /nfs/dbraw/zinc/24/23/13/402242313.db2.gz UFWYNZBGWAMSGS-CVEARBPZSA-N 1 0 320.408 2.462 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)CC2 ZINC000069769801 402243347 /nfs/dbraw/zinc/24/33/47/402243347.db2.gz BJUUALPHTVXYEG-GFCCVEGCSA-N 1 0 314.418 2.143 50 0 DEAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069773669 402243774 /nfs/dbraw/zinc/24/37/74/402243774.db2.gz RQMFFABPISTCTQ-LBPRGKRZSA-N 1 0 315.402 2.408 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000069815205 402245695 /nfs/dbraw/zinc/24/56/95/402245695.db2.gz DIHSGNHNBYEROC-HZPDHXFCSA-N 1 0 302.422 2.150 50 0 DEAARO CC[C@@H]1CN(CCOc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000069842212 402247103 /nfs/dbraw/zinc/24/71/03/402247103.db2.gz PNBALUVCNSOFLG-MRXNPFEDSA-N 1 0 310.413 2.247 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000069875927 402249199 /nfs/dbraw/zinc/24/91/99/402249199.db2.gz LCCPCTZCGQWEQI-UHFFFAOYSA-N 1 0 308.397 2.319 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000069894859 402249522 /nfs/dbraw/zinc/24/95/22/402249522.db2.gz MZYBLAZOSNDODG-NEPJUHHUSA-N 1 0 321.812 2.418 50 0 DEAARO CC(C)c1cc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)n2cccn2)on1 ZINC000069902074 402250183 /nfs/dbraw/zinc/25/01/83/402250183.db2.gz XDTQBTLFEMXNIP-NWDGAFQWSA-N 1 0 305.382 2.172 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CCO1 ZINC000069947314 402252518 /nfs/dbraw/zinc/25/25/18/402252518.db2.gz XIICPKRYTBRFES-MRXNPFEDSA-N 1 0 301.390 2.104 50 0 DEAARO C[C@@H]1CO[C@@H](c2ccccc2)CN1CC[N@@H+]1CCCOCC1 ZINC000225676279 402321789 /nfs/dbraw/zinc/32/17/89/402321789.db2.gz PSHKMLXFCLPQRP-SJLPKXTDSA-N 1 0 304.434 2.171 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000071142895 402270147 /nfs/dbraw/zinc/27/01/47/402270147.db2.gz FFXOWHRJZMAGHI-LBPRGKRZSA-N 1 0 300.324 2.316 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000071143140 402270520 /nfs/dbraw/zinc/27/05/20/402270520.db2.gz 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[NH3+][C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000238056327 402435241 /nfs/dbraw/zinc/43/52/41/402435241.db2.gz MCGVFUHVEHECTG-LBPRGKRZSA-N 1 0 309.207 2.040 50 0 DEAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000241316913 402443647 /nfs/dbraw/zinc/44/36/47/402443647.db2.gz LWAILVDZLBLOEM-ZNMIVQPWSA-N 1 0 312.454 2.479 50 0 DEAARO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242750555 402445345 /nfs/dbraw/zinc/44/53/45/402445345.db2.gz ZSNLUBSCABOBPC-IAGOWNOFSA-N 1 0 304.434 2.392 50 0 DEAARO COc1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1OC1CCCC1 ZINC000178551356 402510943 /nfs/dbraw/zinc/51/09/43/402510943.db2.gz LZNIZJVGZUJDIW-CYBMUJFWSA-N 1 0 318.417 2.437 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000178564475 402512240 /nfs/dbraw/zinc/51/22/40/402512240.db2.gz REAKQHNMCKBKJJ-JTQLQIEISA-N 1 0 304.781 2.151 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000167088347 402489346 /nfs/dbraw/zinc/48/93/46/402489346.db2.gz IGAITLGZIDYHPK-HNNXBMFYSA-N 1 0 312.360 2.318 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000178521750 402507318 /nfs/dbraw/zinc/50/73/18/402507318.db2.gz ZQCBOOBMQICRDI-VWCDRPFISA-N 1 0 315.236 2.331 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1OC ZINC000178527718 402507735 /nfs/dbraw/zinc/50/77/35/402507735.db2.gz YTHUIRJFELRCHY-JTQLQIEISA-N 1 0 312.797 2.168 50 0 DEAARO CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246851394 402547307 /nfs/dbraw/zinc/54/73/07/402547307.db2.gz VANBOLJVQDZTOS-LSDHHAIUSA-N 1 0 318.417 2.018 50 0 DEAARO CN(C(=O)CCc1ccccc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000179103758 402572708 /nfs/dbraw/zinc/57/27/08/402572708.db2.gz XKHYPQGFXAFXCB-LBPRGKRZSA-N 1 0 316.323 2.338 50 0 DEAARO CO[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000248128473 402583268 /nfs/dbraw/zinc/58/32/68/402583268.db2.gz MLCNIXQMQJUZSH-IKGGRYGDSA-N 1 0 302.418 2.459 50 0 DEAARO C[C@@H]1CCCCN1c1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000248124814 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/nfs/dbraw/zinc/57/56/42/403575642.db2.gz RRXPQXTYOZIHDM-UHFFFAOYSA-N 1 0 313.357 2.365 50 0 DEAARO COCC[N@H+](C[C@H]1CC=CCC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000342127514 404385809 /nfs/dbraw/zinc/38/58/09/404385809.db2.gz KVKNEEXJZYRXOS-HOTGVXAUSA-N 1 0 315.479 2.116 50 0 DEAARO Cn1c(CC[NH3+])nnc1SCc1ccc(C(F)(F)F)nc1 ZINC000426399076 405357390 /nfs/dbraw/zinc/35/73/90/405357390.db2.gz SLLOIFJXQVSPLZ-UHFFFAOYSA-N 1 0 317.340 2.022 50 0 DEAARO CSCC1CCN(C(=O)Cc2ccc(OCC[NH3+])cc2)CC1 ZINC000426395445 405356836 /nfs/dbraw/zinc/35/68/36/405356836.db2.gz WMKVBRFWCKGWAL-UHFFFAOYSA-N 1 0 322.474 2.168 50 0 DEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NC/C=C/c1ccccc1 ZINC000426421736 405359660 /nfs/dbraw/zinc/35/96/60/405359660.db2.gz FVKBUMZNKHLYMS-IOMDMTNGSA-N 1 0 324.428 2.180 50 0 DEAARO CC[NH+](CC)CCNC(=O)N1CC(Oc2c(C)cccc2C)C1 ZINC000426477156 405362641 /nfs/dbraw/zinc/36/26/41/405362641.db2.gz FIWXHHFGJJMYGS-UHFFFAOYSA-N 1 0 319.449 2.418 50 0 DEAARO CCc1cccc(OCCN(C)C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000426490283 405363705 /nfs/dbraw/zinc/36/37/05/405363705.db2.gz XBGNJXIMNPLJQO-CQSZACIVSA-N 1 0 307.438 2.219 50 0 DEAARO CC1(C)CC(CC(=O)NCCc2cccc(=O)[nH]2)CC(C)(C)[NH2+]1 ZINC000426589207 405370455 /nfs/dbraw/zinc/37/04/55/405370455.db2.gz ZWAHIDQOKATUAV-UHFFFAOYSA-N 1 0 319.449 2.393 50 0 DEAARO CO[C@]12CC[N@H+](Cc3ccc4nsnc4c3)[C@H]1C[C@H](O)CC2 ZINC000426722318 405376367 /nfs/dbraw/zinc/37/63/67/405376367.db2.gz ABFQSCOWKWEAIZ-UHOFOFEASA-N 1 0 319.430 2.196 50 0 DEAARO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000245305041 286625138 /nfs/dbraw/zinc/62/51/38/286625138.db2.gz HTGBTFRTSVXSDE-UKPHBRMFSA-N 1 0 323.458 2.498 50 0 DEAARO CCCNC(=O)N1CCC[C@H](Cn2c(C)cnc2COC)C1 ZINC000575550230 406812536 /nfs/dbraw/zinc/81/25/36/406812536.db2.gz RZUYOEIVSYSUAK-AWEZNQCLSA-N 1 0 308.426 2.170 50 0 DEAARO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575430474 406810332 /nfs/dbraw/zinc/81/03/32/406810332.db2.gz DWNGXTITRATIIU-SJORKVTESA-N 1 0 307.482 2.408 50 0 DEAARO NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1Cc1cccc(F)c1 ZINC000575552481 406811962 /nfs/dbraw/zinc/81/19/62/406811962.db2.gz NNUWKDPIDJOOQB-IRXDYDNUSA-N 1 0 314.360 2.333 50 0 DEAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000252476957 286781807 /nfs/dbraw/zinc/78/18/07/286781807.db2.gz FPNCCUOFVTZAMH-NQCBRMCBSA-N 1 0 309.498 2.198 50 0 DEAARO C[C@@H](CC(N)=O)[NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000022357377 286800168 /nfs/dbraw/zinc/80/01/68/286800168.db2.gz QPLSPTNASRNDRE-KBPBESRZSA-N 1 0 309.479 2.375 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000132559290 196265476 /nfs/dbraw/zinc/26/54/76/196265476.db2.gz KWXAVZYKIWSDDT-LLVKDONJSA-N 1 0 302.296 2.077 50 0 DEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCCOC1 ZINC000192971825 225147515 /nfs/dbraw/zinc/14/75/15/225147515.db2.gz GJBABEPVRNZRDY-KRWDZBQOSA-N 1 0 304.434 2.394 50 0 DEAARO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCCCC[NH+]1CCOCC1 ZINC000241171004 225214573 /nfs/dbraw/zinc/21/45/73/225214573.db2.gz KDMLLBSJAVCLIS-BRWVUGGUSA-N 1 0 323.481 2.461 50 0 DEAARO C[C@H]1OCC[C@@H]1N(CCO)Cc1ccccc1Br ZINC000390834014 227223557 /nfs/dbraw/zinc/22/35/57/227223557.db2.gz QHSWUJAUKXLVKG-RISCZKNCSA-N 1 0 314.223 2.421 50 0 DEAARO COCCC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CC1 ZINC000408520142 227240106 /nfs/dbraw/zinc/24/01/06/227240106.db2.gz MMTAYCZHQSEFIS-JKSUJKDBSA-N 1 0 320.408 2.286 50 0 DEAARO C[NH+](C)CC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1 ZINC000534648681 421694852 /nfs/dbraw/zinc/69/48/52/421694852.db2.gz BKIYRDUBNOZPQN-LLVKDONJSA-N 1 0 321.812 2.068 50 0 DEAARO COC(=O)c1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000048253409 424830991 /nfs/dbraw/zinc/83/09/91/424830991.db2.gz XGVSEFOHIFQBER-DLBZAZTESA-N 1 0 319.401 2.495 50 0 DEAARO COc1cccc(-c2noc(CN3CC[NH+](C(C)C)CC3)n2)c1 ZINC000048290059 424831936 /nfs/dbraw/zinc/83/19/36/424831936.db2.gz LHYKHRSNECHRHM-UHFFFAOYSA-N 1 0 316.405 2.271 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC000044892562 424813819 /nfs/dbraw/zinc/81/38/19/424813819.db2.gz ULNYLIVWTBWNRX-KBPBESRZSA-N 1 0 323.462 2.363 50 0 DEAARO c1ccc2c(c1)C[C@H](C[NH2+]Cc1cnc(N3CCCC3)nc1)O2 ZINC000048709924 424834568 /nfs/dbraw/zinc/83/45/68/424834568.db2.gz OUNRAVCCQMOZCV-MRXNPFEDSA-N 1 0 310.401 2.170 50 0 DEAARO COc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1OC ZINC000048715490 424834936 /nfs/dbraw/zinc/83/49/36/424834936.db2.gz HUZLDNLGMZTWFE-UHFFFAOYSA-N 1 0 307.390 2.479 50 0 DEAARO O=C(N[C@@H]1CCc2ccc(F)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101387750 424847047 /nfs/dbraw/zinc/84/70/47/424847047.db2.gz RXAIGYVYBQSQOM-NVXWUHKLSA-N 1 0 315.392 2.469 50 0 DEAARO c1ccn2c(c1)nnc2CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000108376475 424851532 /nfs/dbraw/zinc/85/15/32/424851532.db2.gz RNWQDYJBXDFWNG-KBRIMQKVSA-N 1 0 312.417 2.209 50 0 DEAARO CN1C[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)OC1=O ZINC000216061134 424884792 /nfs/dbraw/zinc/88/47/92/424884792.db2.gz HWYLOVNZACKDOF-OAHLLOKOSA-N 1 0 318.402 2.165 50 0 DEAARO C[NH+](C)[C@@H]1CCN(c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000096140353 273808844 /nfs/dbraw/zinc/80/88/44/273808844.db2.gz NIUFVRQCFIWXCY-CQSZACIVSA-N 1 0 310.401 2.100 50 0 DEAARO CS[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1[NH+](C)C ZINC000340590343 274180545 /nfs/dbraw/zinc/18/05/45/274180545.db2.gz MYJPNHSQSQZBDP-IIAWOOMASA-N 1 0 320.458 2.057 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1)n1cccn1 ZINC000069351268 274543172 /nfs/dbraw/zinc/54/31/72/274543172.db2.gz CWOBJPSMQZWYMV-QWHCGFSZSA-N 1 0 314.368 2.342 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)ccc1Br ZINC000122335928 274948635 /nfs/dbraw/zinc/94/86/35/274948635.db2.gz DYCMIZMCWBDVKC-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO c1c(CN2CCC(c3ccncc3)CC2)nn2c1C[NH2+]CCC2 ZINC000072153738 275063001 /nfs/dbraw/zinc/06/30/01/275063001.db2.gz UDUOAOXQNWBMHC-UHFFFAOYSA-N 1 0 311.433 2.151 50 0 DEAARO CC[N@H+](CCC(=O)N1CCc2ccccc21)C[C@@H]1CCCO1 ZINC000051554971 276121752 /nfs/dbraw/zinc/12/17/52/276121752.db2.gz LNLCLUKMQMIOCU-INIZCTEOSA-N 1 0 302.418 2.467 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000237102418 277027756 /nfs/dbraw/zinc/02/77/56/277027756.db2.gz AGVCBUXHGLHHMG-PWSUYJOCSA-N 1 0 314.788 2.457 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000226287869 277277981 /nfs/dbraw/zinc/27/79/81/277277981.db2.gz BKSNJGAPFXFDOI-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236834510 278089894 /nfs/dbraw/zinc/08/98/94/278089894.db2.gz YLOMIBHDLOMCMJ-GHMZBOCLSA-N 1 0 312.845 2.396 50 0 DEAARO C[C@H](CC(N)=O)[NH2+]C[C@H](c1cccs1)N1CCC(C)CC1 ZINC000022357383 278165638 /nfs/dbraw/zinc/16/56/38/278165638.db2.gz QPLSPTNASRNDRE-ZIAGYGMSSA-N 1 0 309.479 2.375 50 0 DEAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000026781662 278201508 /nfs/dbraw/zinc/20/15/08/278201508.db2.gz VRBMFTHOXXVRCP-GRDNDAEWSA-N 1 0 320.433 2.363 50 0 DEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1nc(C)cc1C ZINC000048964725 279102096 /nfs/dbraw/zinc/10/20/96/279102096.db2.gz MYXKOQKUSVTBEJ-UHFFFAOYSA-N 1 0 308.470 2.326 50 0 DEAARO Cn1nc(C2CCC2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000095418843 279397879 /nfs/dbraw/zinc/39/78/79/279397879.db2.gz YPXRDIRHZUFSAA-CQSZACIVSA-N 1 0 317.437 2.390 50 0 DEAARO CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246308941 280278821 /nfs/dbraw/zinc/27/88/21/280278821.db2.gz MDRJNUURNUJDFF-HUUCEWRRSA-N 1 0 302.484 2.170 50 0 DEAARO C[NH+](C)CCNC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004844974 289164233 /nfs/dbraw/zinc/16/42/33/289164233.db2.gz UQCIFGDFNVLNIE-UHFFFAOYSA-N 1 0 323.506 2.145 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1)n1cccn1 ZINC000069372280 290206479 /nfs/dbraw/zinc/20/64/79/290206479.db2.gz IWNZZCCFMRGWJO-UONOGXRCSA-N 1 0 300.410 2.013 50 0 DEAARO Cc1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc1C ZINC000095978587 292912905 /nfs/dbraw/zinc/91/29/05/292912905.db2.gz ZDYDHKDFKFINHU-MRXNPFEDSA-N 1 0 304.438 2.175 50 0 DEAARO C[C@H](CC(N)=O)[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000038775062 298350712 /nfs/dbraw/zinc/35/07/12/298350712.db2.gz LDMWOHWLLYNMGD-DOMZBBRYSA-N 1 0 309.841 2.330 50 0 DEAARO Cc1cc(CC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)on1 ZINC000299755274 301269015 /nfs/dbraw/zinc/26/90/15/301269015.db2.gz FGOQXYNMFGHXEL-MRXNPFEDSA-N 1 0 301.390 2.253 50 0 DEAARO O=C(Nc1ccc2c(c1)CCO2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000574126523 326124618 /nfs/dbraw/zinc/12/46/18/326124618.db2.gz CFAJPXOMIFWEPN-LJQANCHMSA-N 1 0 308.381 2.491 50 0 DEAARO O=C(OCC[C@@H]1CCCCO1)c1cccc(-n2ccnc2)n1 ZINC000097166116 332193643 /nfs/dbraw/zinc/19/36/43/332193643.db2.gz JQPJKNKUODCUAX-ZDUSSCGKSA-N 1 0 301.346 2.383 50 0 DEAARO Cc1cccc(OC2CN(C(=O)NCC[C@H](C)[NH+](C)C)C2)c1 ZINC000534585958 334291907 /nfs/dbraw/zinc/29/19/07/334291907.db2.gz SYYXPMSSUDCRJG-AWEZNQCLSA-N 1 0 305.422 2.108 50 0 DEAARO COc1ccccc1-c1cc(CNC(=O)C[C@@H](C)[NH+](C)C)on1 ZINC000534635779 334309383 /nfs/dbraw/zinc/30/93/83/334309383.db2.gz DDQSADOBSUUOHE-GFCCVEGCSA-N 1 0 317.389 2.307 50 0 DEAARO COC1CCN(C(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000534639205 334310574 /nfs/dbraw/zinc/31/05/74/334310574.db2.gz PWWWSMKXAUDHDI-KRWDZBQOSA-N 1 0 319.449 2.418 50 0 DEAARO C[C@H](NC(=O)c1cccc2c1CCC2=O)C1CC[NH+](C)CC1 ZINC000534665557 334318744 /nfs/dbraw/zinc/31/87/44/334318744.db2.gz MSGCYUOMNOQMKC-LBPRGKRZSA-N 1 0 300.402 2.276 50 0 DEAARO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)nn1C ZINC000097103630 337382209 /nfs/dbraw/zinc/38/22/09/337382209.db2.gz ACQSKYRVKGENEV-CQSZACIVSA-N 1 0 305.426 2.068 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000130395670 337383107 /nfs/dbraw/zinc/38/31/07/337383107.db2.gz JMUWOMRCTAYMKO-JKSUJKDBSA-N 1 0 323.481 2.461 50 0 DEAARO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCCC[NH+]1CCOCC1 ZINC000241171005 533758178 /nfs/dbraw/zinc/75/81/78/533758178.db2.gz KDMLLBSJAVCLIS-IXDOHACOSA-N 1 0 323.481 2.461 50 0 DEAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1(C)C ZINC000240668204 527455612 /nfs/dbraw/zinc/45/56/12/527455612.db2.gz HMXZEWZFKOELFW-ZJIFWQFVSA-N 1 0 306.450 2.204 50 0 DEAARO CCn1cc(CC[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cn1 ZINC000368490295 536041508 /nfs/dbraw/zinc/04/15/08/536041508.db2.gz MVGBWFZLBCURQW-LJQANCHMSA-N 1 0 313.445 2.472 50 0 DEAARO COC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 ZINC000262499521 536653691 /nfs/dbraw/zinc/65/36/91/536653691.db2.gz INYYOXWSMYKIDS-PUJMQQBBSA-N 1 0 302.418 2.206 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2[nH]cnc21 ZINC000053810267 634498535 /nfs/dbraw/zinc/49/85/35/634498535.db2.gz VZDPKNHHIQEBFW-LLVKDONJSA-N 1 0 304.369 2.306 50 0 DEAARO Nc1n[nH]c([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)n1 ZINC000888096319 635530540 /nfs/dbraw/zinc/53/05/40/635530540.db2.gz ALTIPFSYZLATNM-STQMWFEESA-N 1 0 305.426 2.058 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[N@@H+](C)CC(C)C)C2=O)c1 ZINC000012578264 636063053 /nfs/dbraw/zinc/06/30/53/636063053.db2.gz IJQLBOBEDORSAV-IBGZPJMESA-N 1 0 318.461 2.436 50 0 DEAARO Cc1ncc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)s1 ZINC000036385562 683880437 /nfs/dbraw/zinc/88/04/37/683880437.db2.gz JEEKWWQSNCXJFO-OAHLLOKOSA-N 1 0 309.479 2.263 50 0 DEAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccon3)C[C@H]2CCO)cc1 ZINC000036385816 683880925 /nfs/dbraw/zinc/88/09/25/683880925.db2.gz RNQDALGHKDGXDQ-GOSISDBHSA-N 1 0 315.417 2.052 50 0 DEAARO CCc1ccc(-c2nccn2CCC[N@@H+]2CCC[C@@H](O)C2)nc1 ZINC000071754370 683927237 /nfs/dbraw/zinc/92/72/37/683927237.db2.gz LEESENGJRLDVED-MRXNPFEDSA-N 1 0 314.433 2.354 50 0 DEAARO Cc1nccn1CC1CCN(c2nc(N)[nH+]c(C)c2C)CC1 ZINC000095371610 684052752 /nfs/dbraw/zinc/05/27/52/684052752.db2.gz CIMCBIXXAUROHS-UHFFFAOYSA-N 1 0 300.410 2.097 50 0 DEAARO OCCCCC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000195051731 685085942 /nfs/dbraw/zinc/08/59/42/685085942.db2.gz GMQOCHBUFNKSDA-UHFFFAOYSA-N 1 0 317.355 2.385 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccoc2)CC1)c1cncs1 ZINC000828206407 783766504 /nfs/dbraw/zinc/76/65/04/783766504.db2.gz PDSOIKNVZQZORI-UHFFFAOYSA-N 1 0 305.403 2.378 50 0 DEAARO CN(CC[C@@H](O)c1ccccc1)C(=O)C[NH+]1CCCCCC1 ZINC000828599402 783821746 /nfs/dbraw/zinc/82/17/46/783821746.db2.gz QGMXVONDLRESKN-QGZVFWFLSA-N 1 0 304.434 2.445 50 0 DEAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)c1ccoc1 ZINC000828827018 783861791 /nfs/dbraw/zinc/86/17/91/783861791.db2.gz DMNMCCBTGDNFMU-CYBMUJFWSA-N 1 0 318.373 2.007 50 0 DEAARO CCNC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCCCC1)CCO2 ZINC000581784105 784777976 /nfs/dbraw/zinc/77/79/76/784777976.db2.gz DFIFAAYELVQXRP-HNNXBMFYSA-N 1 0 309.454 2.215 50 0 DEAARO Cc1cnc(CCNC(=O)C[NH+]2CCCCCC2)n1C1CC1 ZINC000581815508 784788088 /nfs/dbraw/zinc/78/80/88/784788088.db2.gz LLRMNISCRAKTPG-UHFFFAOYSA-N 1 0 304.438 2.061 50 0 DEAARO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000200507998 786173652 /nfs/dbraw/zinc/17/36/52/786173652.db2.gz LWCNKNATSODYCW-AWEZNQCLSA-N 1 0 318.465 2.290 50 0 DEAARO CC(C)[N@H+](C)Cc1ccc(NC(=O)[C@]2(C)CCC(=O)NC2)cc1 ZINC000585090517 789694706 /nfs/dbraw/zinc/69/47/06/789694706.db2.gz BQEVRHWLPZWOPC-GOSISDBHSA-N 1 0 317.433 2.382 50 0 DEAARO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc2c(cc[nH]c2=O)n1 ZINC000585121720 789707452 /nfs/dbraw/zinc/70/74/52/789707452.db2.gz XINQXKHUPOPEIM-UHFFFAOYSA-N 1 0 316.405 2.186 50 0 DEAARO Cc1nc2ncnn2c(N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1C ZINC000952994699 792857103 /nfs/dbraw/zinc/85/71/03/792857103.db2.gz UCNZMUYYPCGXED-GFCCVEGCSA-N 1 0 314.437 2.194 50 0 DEAARO CC(C)[NH+](CCNC=C1c2ccccc2C(=O)NC1=O)C(C)C ZINC000104934082 799473380 /nfs/dbraw/zinc/47/33/80/799473380.db2.gz MNNZYCQVVIXMNL-WJDWOHSUSA-N 1 0 315.417 2.006 50 0 DEAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)C12CCC2 ZINC000404577719 802025654 /nfs/dbraw/zinc/02/56/54/802025654.db2.gz NCUXJERIJSZGLR-QWHCGFSZSA-N 1 0 306.410 2.335 50 0 DEAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000405218748 802044300 /nfs/dbraw/zinc/04/43/00/802044300.db2.gz 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/nfs/dbraw/zinc/37/52/53/185375253.db2.gz XZXHPBYSNVPKJO-KRWDZBQOSA-N 1 0 322.424 2.487 50 0 DEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2ncccc2F)C1 ZINC000095508605 185375945 /nfs/dbraw/zinc/37/59/45/185375945.db2.gz DFNJMFDJEWFOOP-AWEZNQCLSA-N 1 0 317.412 2.363 50 0 DEAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1c(C)ccc(Cl)c1C ZINC000095526219 185378006 /nfs/dbraw/zinc/37/80/06/185378006.db2.gz VHOQOKVOGGJXCC-STQMWFEESA-N 1 0 311.813 2.407 50 0 DEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2cnccn2)C1 ZINC000095525383 185378151 /nfs/dbraw/zinc/37/81/51/185378151.db2.gz JULBVUOVCBOVMB-OAHLLOKOSA-N 1 0 314.437 2.009 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](CO)c2ccc(F)cc2)CC1 ZINC000095528495 185378502 /nfs/dbraw/zinc/37/85/02/185378502.db2.gz HSVJZLPMGRFKGP-QGZVFWFLSA-N 1 0 322.424 2.486 50 0 DEAARO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCCCNC1=O ZINC000095435778 282139424 /nfs/dbraw/zinc/13/94/24/282139424.db2.gz MXBRACKGPSNBAJ-GFCCVEGCSA-N 1 0 318.446 2.340 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)Cn1nc(C)cc1C ZINC000078925091 185130070 /nfs/dbraw/zinc/13/00/70/185130070.db2.gz JZIBAORNXFOYJW-HOCLYGCPSA-N 1 0 321.469 2.062 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cnc2c(C)cccn12 ZINC000089949137 185271212 /nfs/dbraw/zinc/27/12/12/185271212.db2.gz NQFJFVJWFBSNJH-WBVHZDCISA-N 1 0 314.433 2.379 50 0 DEAARO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(C3CC3)C1)CCCO2 ZINC000090182362 185285834 /nfs/dbraw/zinc/28/58/34/185285834.db2.gz CFLDLFKFCQLSAF-WBMJQRKESA-N 1 0 316.401 2.262 50 0 DEAARO COc1ccc(C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000082100040 192356068 /nfs/dbraw/zinc/35/60/68/192356068.db2.gz HSRXLZOABSHPRT-UHFFFAOYSA-N 1 0 315.373 2.344 50 0 DEAARO CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](CCC(C)(C)C)C2 ZINC000082127926 192359059 /nfs/dbraw/zinc/35/90/59/192359059.db2.gz PIMQTXNKVFLBPS-UHFFFAOYSA-N 1 0 321.469 2.296 50 0 DEAARO Cc1cc(N2CC[C@H](C(N)=O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000095400225 185354056 /nfs/dbraw/zinc/35/40/56/185354056.db2.gz 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ZINC000170677079 197805695 /nfs/dbraw/zinc/80/56/95/197805695.db2.gz XCYVLHMFIPDAMO-HNNXBMFYSA-N 1 0 316.396 2.317 50 0 DEAARO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236605663 201933897 /nfs/dbraw/zinc/93/38/97/201933897.db2.gz XQAZZGBUNVINGQ-IUODEOHRSA-N 1 0 308.397 2.345 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]CC(=O)NCCC2=CCCCC2)c1 ZINC000069700121 190805346 /nfs/dbraw/zinc/80/53/46/190805346.db2.gz CRQCINYEJXADAH-HNNXBMFYSA-N 1 0 304.438 2.176 50 0 DEAARO C[N@H+](CCCS(C)(=O)=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000083860849 192387756 /nfs/dbraw/zinc/38/77/56/192387756.db2.gz URZZDIRRGKXZHJ-INIZCTEOSA-N 1 0 310.463 2.022 50 0 DEAARO O=C(NCCn1cc(Cl)cn1)C1([NH+]2CCCC2)CCCCC1 ZINC000219368269 539726628 /nfs/dbraw/zinc/72/66/28/539726628.db2.gz UNEBKGNRLSPBJU-UHFFFAOYSA-N 1 0 324.856 2.451 50 0 DEAARO C[NH2+]CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071748346 191020499 /nfs/dbraw/zinc/02/04/99/191020499.db2.gz UAKNZEDHGPJUKZ-GFCCVEGCSA-N 1 0 303.189 2.113 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(c2noc(-c3ccccc3)n2)CC1 ZINC000072146660 191052880 /nfs/dbraw/zinc/05/28/80/191052880.db2.gz AKONCBWUHZWCOS-QGZVFWFLSA-N 1 0 316.405 2.020 50 0 DEAARO Cc1nc(C(F)(F)F)nc(NC[C@H]2COCC[N@@H+](C)C2)c1C ZINC000072151403 191056210 /nfs/dbraw/zinc/05/62/10/191056210.db2.gz VOGIJTKDKRKQSW-LLVKDONJSA-N 1 0 318.343 2.102 50 0 DEAARO COc1ccc(NC(=O)N2CCOC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000072161913 191061958 /nfs/dbraw/zinc/06/19/58/191061958.db2.gz QKWROCWSDXOLPE-CQSZACIVSA-N 1 0 321.421 2.046 50 0 DEAARO O=S(=O)(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1CC1 ZINC000072159093 191062356 /nfs/dbraw/zinc/06/23/56/191062356.db2.gz YISRTLQUCGXMEU-MRXNPFEDSA-N 1 0 322.474 2.165 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000072267966 191090454 /nfs/dbraw/zinc/09/04/54/191090454.db2.gz KFWKUYGHFBNUEV-GFCCVEGCSA-N 1 0 317.202 2.008 50 0 DEAARO CCCc1c(C(=O)N[C@H](C)CC[NH+](C)C)[nH]c(C)c1C(=O)OC ZINC000072281874 191103260 /nfs/dbraw/zinc/10/32/60/191103260.db2.gz NBYSJCHSICHIBP-LLVKDONJSA-N 1 0 323.437 2.132 50 0 DEAARO CC[NH+](CC)CCCN1CCS(=O)(=O)c2ccccc2C1 ZINC000191840322 186261927 /nfs/dbraw/zinc/26/19/27/186261927.db2.gz FUSLDGODEQDYKU-UHFFFAOYSA-N 1 0 310.463 2.008 50 0 DEAARO C=Cn1cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cn1 ZINC000225582674 186279618 /nfs/dbraw/zinc/27/96/18/186279618.db2.gz GIRVQKPGUNUINX-LBPRGKRZSA-N 1 0 320.418 2.206 50 0 DEAARO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000225626355 186284255 /nfs/dbraw/zinc/28/42/55/186284255.db2.gz YAQDKZQFKAOPAK-AWEZNQCLSA-N 1 0 304.500 2.462 50 0 DEAARO Cc1nn(C)c(C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000072313347 191119308 /nfs/dbraw/zinc/11/93/08/191119308.db2.gz UHFMLNNOFPKANV-GFCCVEGCSA-N 1 0 306.454 2.277 50 0 DEAARO c1ccc(-c2nc3c(c(NC[C@H]4CCOC4)n2)CC[NH2+]CC3)cc1 ZINC000072424681 191159872 /nfs/dbraw/zinc/15/98/72/191159872.db2.gz OPYMEVLHTGSUIH-CQSZACIVSA-N 1 0 324.428 2.280 50 0 DEAARO CCc1cc(N2CCC[C@H](CC[NH3+])C2)n2nc(C)c(C)c2n1 ZINC000072431913 191165097 /nfs/dbraw/zinc/16/50/97/191165097.db2.gz DKXRTQSNSJTGHJ-CQSZACIVSA-N 1 0 301.438 2.474 50 0 DEAARO Cc1nn(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1Cl ZINC000002778584 180955858 /nfs/dbraw/zinc/95/58/58/180955858.db2.gz QXHHCANUPDOPPH-UHFFFAOYSA-N 1 0 312.845 2.421 50 0 DEAARO C[C@@H]([NH2+]Cc1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003285320 181000282 /nfs/dbraw/zinc/00/02/82/181000282.db2.gz PCLCLVIGKQGMTD-LLVKDONJSA-N 1 0 318.398 2.271 50 0 DEAARO COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCC(=O)N(CCCC(C)C)CC1 ZINC000012040106 354023759 /nfs/dbraw/zinc/02/37/59/354023759.db2.gz XHFKVOYCDZZXAP-HOTGVXAUSA-N 1 0 324.465 2.441 50 0 DEAARO O=S1(=O)C[C@@H](Nc2ccccc2)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000004058404 181067943 /nfs/dbraw/zinc/06/79/43/181067943.db2.gz QSGJWXJYQPHOAM-IAGOWNOFSA-N 1 0 316.426 2.054 50 0 DEAARO Cc1ccc(C[NH+]2CCN(Cc3ccc(=O)n(C)c3)CC2)cc1 ZINC000065285833 354681530 /nfs/dbraw/zinc/68/15/30/354681530.db2.gz FYLMPYKXMOXFBS-UHFFFAOYSA-N 1 0 311.429 2.012 50 0 DEAARO Cc1nc(C(C)C)nc2c1CCC(=O)N2CC[NH+]1CCCC1 ZINC000065289317 354681537 /nfs/dbraw/zinc/68/15/37/354681537.db2.gz MYMXLIMXCXXAGI-UHFFFAOYSA-N 1 0 302.422 2.283 50 0 DEAARO CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000072277934 354899787 /nfs/dbraw/zinc/89/97/87/354899787.db2.gz KQCVBIJRBAWNBA-UONOGXRCSA-N 1 0 320.437 2.383 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)CCn1cccc1)c1cccc(F)c1 ZINC000072306906 354900712 /nfs/dbraw/zinc/90/07/12/354900712.db2.gz BTAMMXPFWSKQJQ-MRXNPFEDSA-N 1 0 303.381 2.436 50 0 DEAARO COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000076094030 355125049 /nfs/dbraw/zinc/12/50/49/355125049.db2.gz DUXIANNVZZEZLR-ZFWWWQNUSA-N 1 0 321.421 2.283 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1 ZINC000076057154 355122573 /nfs/dbraw/zinc/12/25/73/355122573.db2.gz WQRHHYKGCTUADQ-XUJVJEKNSA-N 1 0 314.426 2.146 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC000078880328 355283080 /nfs/dbraw/zinc/28/30/80/355283080.db2.gz RELZFDZXODTRLG-PBHICJAKSA-N 1 0 300.406 2.299 50 0 DEAARO O=C(c1cccc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081031813 355403307 /nfs/dbraw/zinc/40/33/07/355403307.db2.gz BYYQSFWECBLJOP-UHFFFAOYSA-N 1 0 308.809 2.277 50 0 DEAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000084317549 355477076 /nfs/dbraw/zinc/47/70/76/355477076.db2.gz CSRLJXNMDCXPKB-XJKSGUPXSA-N 1 0 315.373 2.016 50 0 DEAARO CC(C)[NH+](CCNC(=O)CN1C(=O)C[C@@H]2CCCC[C@H]21)C(C)C ZINC000096028184 355697901 /nfs/dbraw/zinc/69/79/01/355697901.db2.gz VATWEOXMKVVWJE-JKSUJKDBSA-N 1 0 323.481 2.013 50 0 DEAARO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000097235726 355704282 /nfs/dbraw/zinc/70/42/82/355704282.db2.gz LOTZYHGBUNTAAM-LBPRGKRZSA-N 1 0 324.446 2.258 50 0 DEAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000136673983 355868082 /nfs/dbraw/zinc/86/80/82/355868082.db2.gz PYFYODBKECSVNT-ZDUSSCGKSA-N 1 0 311.447 2.128 50 0 DEAARO CC(C)CC[N@@H+]1C[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2C1 ZINC000169752215 355981294 /nfs/dbraw/zinc/98/12/94/355981294.db2.gz DUJFDUVNIYTDID-CALCHBBNSA-N 1 0 314.429 2.192 50 0 DEAARO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000169752285 355981364 /nfs/dbraw/zinc/98/13/64/355981364.db2.gz SAJURGKAGCAJRF-UHFFFAOYSA-N 1 0 319.449 2.397 50 0 DEAARO C[C@H]([NH2+]CCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1 ZINC000185171628 356203216 /nfs/dbraw/zinc/20/32/16/356203216.db2.gz RVIMVKGBTYTLQI-AWEZNQCLSA-N 1 0 322.424 2.330 50 0 DEAARO c1ncc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1OCC1CCCC1 ZINC000185379802 356206579 /nfs/dbraw/zinc/20/65/79/356206579.db2.gz TZBUYGBWIAIJIB-OAHLLOKOSA-N 1 0 302.422 2.330 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000195544097 356256091 /nfs/dbraw/zinc/25/60/91/356256091.db2.gz JFCOJCSXSHGLLZ-BMFZPTHFSA-N 1 0 320.458 2.070 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)C1(O)CCC1 ZINC000195567416 356258034 /nfs/dbraw/zinc/25/80/34/356258034.db2.gz JNINZLMXDNKROT-UHFFFAOYSA-N 1 0 320.408 2.069 50 0 DEAARO CCC[NH+]1CCC(N2CCN(c3nc(C)cnc3C)CC2)CC1 ZINC000195563830 356258256 /nfs/dbraw/zinc/25/82/56/356258256.db2.gz LHLHQJOIMLFASB-UHFFFAOYSA-N 1 0 317.481 2.090 50 0 DEAARO C[C@H](C(=O)Nc1ccc(OCCO)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195571892 356258827 /nfs/dbraw/zinc/25/88/27/356258827.db2.gz LEOPPIGRYAXBMT-HZSPNIEDSA-N 1 0 306.406 2.258 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000229555327 356282119 /nfs/dbraw/zinc/28/21/19/356282119.db2.gz MCMFPPSTLUDIQF-RCCFBDPRSA-N 1 0 320.408 2.334 50 0 DEAARO CO[C@@H](C)CNC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000225509061 356276434 /nfs/dbraw/zinc/27/64/34/356276434.db2.gz KYUYWVUMHDTUOR-HNNXBMFYSA-N 1 0 319.449 2.294 50 0 DEAARO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ncc[nH]1 ZINC000225631822 356277545 /nfs/dbraw/zinc/27/75/45/356277545.db2.gz DXFIVCUZHTXMRN-HOCLYGCPSA-N 1 0 300.406 2.134 50 0 DEAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000575605281 540250344 /nfs/dbraw/zinc/25/03/44/540250344.db2.gz CKCYRAPZLPZOPV-AWEZNQCLSA-N 1 0 324.371 2.196 50 0 DEAARO CCOc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000236901893 202062185 /nfs/dbraw/zinc/06/21/85/202062185.db2.gz RXQDJGUWAZKVTP-JSGCOSHPSA-N 1 0 306.406 2.293 50 0 DEAARO COCCOc1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000585090559 540255913 /nfs/dbraw/zinc/25/59/13/540255913.db2.gz MBMKEELSFLYWAT-UHFFFAOYSA-N 1 0 320.433 2.270 50 0 DEAARO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)cnn1-c1ccccc1C ZINC000237116093 202158039 /nfs/dbraw/zinc/15/80/39/202158039.db2.gz RHXVECKXSOIGFL-UHFFFAOYSA-N 1 0 312.417 2.313 50 0 DEAARO COc1ccccc1OCCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237141341 202166121 /nfs/dbraw/zinc/16/61/21/202166121.db2.gz VZVQZMHUUZYWKE-ZIAGYGMSSA-N 1 0 306.406 2.050 50 0 DEAARO CCN1C[C@@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC000390833026 356710663 /nfs/dbraw/zinc/71/06/63/356710663.db2.gz ATXMISKMSQZXGZ-HZPDHXFCSA-N 1 0 324.490 2.016 50 0 DEAARO COC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000237173026 202175444 /nfs/dbraw/zinc/17/54/44/202175444.db2.gz XBLPHLJOLHWGTC-DGCLKSJQSA-N 1 0 316.323 2.119 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000237174513 202176851 /nfs/dbraw/zinc/17/68/51/202176851.db2.gz XCEGTTWPUHVIQC-DGCLKSJQSA-N 1 0 310.825 2.477 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)NC[C@H](O)c1ccccc1C ZINC000584887318 357326202 /nfs/dbraw/zinc/32/62/02/357326202.db2.gz VFBDKXMJWTXQRW-HNNXBMFYSA-N 1 0 307.438 2.058 50 0 DEAARO Cc1ncn(C)c1C(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000584894815 357328922 /nfs/dbraw/zinc/32/89/22/357328922.db2.gz QSTNKLXOZJNHFW-UHFFFAOYSA-N 1 0 300.406 2.062 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)[C@@H]1C[NH3+] ZINC000237433891 202264030 /nfs/dbraw/zinc/26/40/30/202264030.db2.gz BNUQVIBGXIHXIS-RHSMWYFYSA-N 1 0 312.417 2.131 50 0 DEAARO CN(Cc1ccccc1Br)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089743779 192855139 /nfs/dbraw/zinc/85/51/39/192855139.db2.gz BBYSDVIVKGWGIL-LLVKDONJSA-N 1 0 311.223 2.407 50 0 DEAARO [NH3+]C1CCN(C(=O)c2ccccc2OCc2cscn2)CC1 ZINC000237843453 202369138 /nfs/dbraw/zinc/36/91/38/202369138.db2.gz YBKNEIUMFFXWDZ-UHFFFAOYSA-N 1 0 317.414 2.285 50 0 DEAARO O[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000238122838 202443340 /nfs/dbraw/zinc/44/33/40/202443340.db2.gz MGGWPFJBGHRPLD-SFHVURJKSA-N 1 0 311.429 2.244 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC000189317211 200381469 /nfs/dbraw/zinc/38/14/69/200381469.db2.gz LNGCMUPQWHXIRY-XOKHGSTOSA-N 1 0 304.434 2.234 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000006025307 181307014 /nfs/dbraw/zinc/30/70/14/181307014.db2.gz QVDGCHLWYSRQHY-HNNXBMFYSA-N 1 0 312.417 2.391 50 0 DEAARO O=C(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)NC1CCOCC1 ZINC000191363397 200680808 /nfs/dbraw/zinc/68/08/08/200680808.db2.gz OCHXTYQYXXLUQJ-AEFFLSMTSA-N 1 0 316.445 2.283 50 0 DEAARO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCO1 ZINC000089894328 192898399 /nfs/dbraw/zinc/89/83/99/192898399.db2.gz NPTPICFHFYUPKI-SOUVJXGZSA-N 1 0 321.421 2.283 50 0 DEAARO Cc1cccc(OC[C@H]2CCC[N@H+](CCn3cnnc3)C2)c1 ZINC000670433741 540932533 /nfs/dbraw/zinc/93/25/33/540932533.db2.gz AGRSNFDVYCNCHY-INIZCTEOSA-N 1 0 300.406 2.378 50 0 DEAARO Cc1nn(C)c(C)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC000670448947 540935206 /nfs/dbraw/zinc/93/52/06/540935206.db2.gz UACLKRCNGHTRHW-UHFFFAOYSA-N 1 0 300.406 2.475 50 0 DEAARO Clc1ccc(OC2CC[NH+](CCn3cnnc3)CC2)cc1 ZINC000670453860 540935699 /nfs/dbraw/zinc/93/56/99/540935699.db2.gz UDKUMJRPOQRDTI-UHFFFAOYSA-N 1 0 306.797 2.475 50 0 DEAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000670458637 540937167 /nfs/dbraw/zinc/93/71/67/540937167.db2.gz PTZPLTNCMOCZRZ-CVEARBPZSA-N 1 0 302.418 2.446 50 0 DEAARO C[NH2+]Cc1nnc(SCc2ccc(C(F)(F)F)nc2)n1C ZINC000426656890 283611406 /nfs/dbraw/zinc/61/14/06/283611406.db2.gz GJRIVPKYBHRQCL-UHFFFAOYSA-N 1 0 317.340 2.241 50 0 DEAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000006258600 181323232 /nfs/dbraw/zinc/32/32/32/181323232.db2.gz AAZGPJMTEMNBRH-MRXNPFEDSA-N 1 0 320.408 2.333 50 0 DEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000253432712 283619928 /nfs/dbraw/zinc/61/99/28/283619928.db2.gz MZFPVTNQWQLRRT-OAGGEKHMSA-N 1 0 304.459 2.443 50 0 DEAARO C[C@@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)C[C@@H]1[NH+](C)C ZINC000089937192 192910902 /nfs/dbraw/zinc/91/09/02/192910902.db2.gz CMYQYHWHKMSAOI-SKDRFNHKSA-N 1 0 310.781 2.091 50 0 DEAARO NC(=O)c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194092800 201176916 /nfs/dbraw/zinc/17/69/16/201176916.db2.gz GYEHUVATPHBAMW-BRWVUGGUSA-N 1 0 314.429 2.265 50 0 DEAARO C=Cn1cc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cn1 ZINC000194318168 201201138 /nfs/dbraw/zinc/20/11/38/201201138.db2.gz TYWAIWXSPAQGAF-YJBOKZPZSA-N 1 0 311.433 2.379 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000006556196 181354071 /nfs/dbraw/zinc/35/40/71/181354071.db2.gz MYTGYLYFMWBPSL-IIAWOOMASA-N 1 0 321.417 2.271 50 0 DEAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000006556251 181354193 /nfs/dbraw/zinc/35/41/93/181354193.db2.gz JLSIZYMNGQWRJQ-HZSPNIEDSA-N 1 0 307.390 2.418 50 0 DEAARO COc1ccc(COC[C@H](O)C[NH2+]CCC(C)C)cc1OC ZINC000006626773 181362359 /nfs/dbraw/zinc/36/23/59/181362359.db2.gz AIKSAPYZYTYWDB-OAHLLOKOSA-N 1 0 311.422 2.217 50 0 DEAARO Clc1cnccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000623572979 365084690 /nfs/dbraw/zinc/08/46/90/365084690.db2.gz UAVKVTXVNNIGQZ-HZPDHXFCSA-N 1 0 321.852 2.468 50 0 DEAARO COc1ccc(F)c(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091551027 193072347 /nfs/dbraw/zinc/07/23/47/193072347.db2.gz TWXIVDZHHWQKQY-KDOFPFPSSA-N 1 0 324.440 2.359 50 0 DEAARO C[C@@H]([NH3+])C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000091563095 193073657 /nfs/dbraw/zinc/07/36/57/193073657.db2.gz VDQFEGILMHQNPI-SNVBAGLBSA-N 1 0 316.323 2.422 50 0 DEAARO CCc1nccn1CC[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091664771 193086657 /nfs/dbraw/zinc/08/66/57/193086657.db2.gz GCEGKFCTJQQGBF-UHFFFAOYSA-N 1 0 310.401 2.385 50 0 DEAARO O=C1NCCC[C@]12CC[N@H+](Cc1nc3c(s1)CCCC3)C2 ZINC000091636432 193083323 /nfs/dbraw/zinc/08/33/23/193083323.db2.gz QLGBBGCQIWPPNI-MRXNPFEDSA-N 1 0 305.447 2.124 50 0 DEAARO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](CCOCCO)C1 ZINC000092064878 193151203 /nfs/dbraw/zinc/15/12/03/193151203.db2.gz YNFLIEZVZGGJOR-SFHVURJKSA-N 1 0 321.417 2.069 50 0 DEAARO O[C@H]1C[C@H]([C@@H](Cc2ccccn2)[NH2+]C2CSCCSC2)C1 ZINC000223659541 201650854 /nfs/dbraw/zinc/65/08/54/201650854.db2.gz UXWAWZLHKFGGQD-UHOFOFEASA-N 1 0 324.515 2.202 50 0 DEAARO O[C@H]1C[C@@H]([C@H]([NH2+]C2CCOCC2)c2ccc3c(c2)CCO3)C1 ZINC000252537396 202865886 /nfs/dbraw/zinc/86/58/86/202865886.db2.gz LAQQMOCECWCWTH-UWWQBHOKSA-N 1 0 303.402 2.202 50 0 DEAARO C[C@H](C(=O)N1CCCCC1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093086829 193201796 /nfs/dbraw/zinc/20/17/96/193201796.db2.gz XOZGKDPZLOTTPA-QZTJIDSGSA-N 1 0 319.493 2.361 50 0 DEAARO C[C@H](C(=O)N1CCCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093086826 193202348 /nfs/dbraw/zinc/20/23/48/193202348.db2.gz XOZGKDPZLOTTPA-MSOLQXFVSA-N 1 0 319.493 2.361 50 0 DEAARO COCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095380902 193439887 /nfs/dbraw/zinc/43/98/87/193439887.db2.gz NOMSXVCDPUAYLE-INIZCTEOSA-N 1 0 302.418 2.113 50 0 DEAARO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)CC2 ZINC000095973557 193468561 /nfs/dbraw/zinc/46/85/61/193468561.db2.gz TULISZRAKPLOIQ-AEFFLSMTSA-N 1 0 310.397 2.369 50 0 DEAARO O[C@@H](COC1CCCC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000016650745 182056059 /nfs/dbraw/zinc/05/60/59/182056059.db2.gz UCEVDOFIAHJPKX-QGZVFWFLSA-N 1 0 304.434 2.129 50 0 DEAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCOCC1 ZINC000019205205 182107060 /nfs/dbraw/zinc/10/70/60/182107060.db2.gz HACSALNKWCJCSD-OAHLLOKOSA-N 1 0 310.397 2.488 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019371575 182120313 /nfs/dbraw/zinc/12/03/13/182120313.db2.gz XLADGMJAOJTUKK-SJORKVTESA-N 1 0 306.450 2.117 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C(C)C)C[C@@H]2CCO)c(F)c1 ZINC000019761325 182144770 /nfs/dbraw/zinc/14/47/70/182144770.db2.gz NBCKWDBQKHPBHJ-HNNXBMFYSA-N 1 0 310.413 2.111 50 0 DEAARO Cc1cc(C)c(C)c(OCCOCCN2CC[NH+](C)CC2)c1 ZINC000019792449 182149981 /nfs/dbraw/zinc/14/99/81/182149981.db2.gz RUCXFLIHGOPAOS-UHFFFAOYSA-N 1 0 306.450 2.255 50 0 DEAARO Cc1n[nH]c(C)c1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019792523 182150386 /nfs/dbraw/zinc/15/03/86/182150386.db2.gz WBBBMEGNPNPHFU-UHFFFAOYSA-N 1 0 310.361 2.093 50 0 DEAARO O[C@H](COc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019850262 182157111 /nfs/dbraw/zinc/15/71/11/182157111.db2.gz MHBQOAILOCNGPI-SFHVURJKSA-N 1 0 312.413 2.249 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NC[C@@H]1CCCOC1 ZINC000020515790 182226369 /nfs/dbraw/zinc/22/63/69/182226369.db2.gz NTEFYDFXRQQYBZ-FUHWJXTLSA-N 1 0 316.445 2.409 50 0 DEAARO COc1cccc([C@H](CNC(=O)Nc2cc(C)on2)[NH+](C)C)c1 ZINC000021835756 182294060 /nfs/dbraw/zinc/29/40/60/182294060.db2.gz WIZZJLBQVCABHB-AWEZNQCLSA-N 1 0 318.377 2.416 50 0 DEAARO COc1ccc(-c2nn(CN3CC[NH+](C)CC3)c(=S)o2)cc1 ZINC000022037046 182305581 /nfs/dbraw/zinc/30/55/81/182305581.db2.gz FPDUKVDAVYYSDR-UHFFFAOYSA-N 1 0 320.418 2.086 50 0 DEAARO Cc1ccc(CCC2CC[NH+](CCC(=O)NC(N)=O)CC2)cc1 ZINC000022065740 182307821 /nfs/dbraw/zinc/30/78/21/182307821.db2.gz CYZYPAJAMJMKNZ-UHFFFAOYSA-N 1 0 317.433 2.225 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(C2CC2)n[nH]1 ZINC000040511872 183087164 /nfs/dbraw/zinc/08/71/64/183087164.db2.gz POSMGKZZGUPBJH-OAHLLOKOSA-N 1 0 314.389 2.447 50 0 DEAARO O=C(CCn1cccn1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040522860 183091482 /nfs/dbraw/zinc/09/14/82/183091482.db2.gz WOEXDISHMDFSJL-UHFFFAOYSA-N 1 0 318.446 2.069 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028026 183157300 /nfs/dbraw/zinc/15/73/00/183157300.db2.gz RDXXPDTZDKRPET-LLVKDONJSA-N 1 0 314.227 2.395 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000041761486 183219290 /nfs/dbraw/zinc/21/92/90/183219290.db2.gz GEOHNJCYRVYJJV-CYBMUJFWSA-N 1 0 322.453 2.290 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000493633882 249346077 /nfs/dbraw/zinc/34/60/77/249346077.db2.gz RNAWCFCGEJVUMT-SKHCZCESSA-N 1 0 310.401 2.096 50 0 DEAARO Cc1cc(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)no1 ZINC000043143797 183340742 /nfs/dbraw/zinc/34/07/42/183340742.db2.gz UEOWKHFPSHSSJR-ZDUSSCGKSA-N 1 0 322.434 2.489 50 0 DEAARO CCn1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000043645830 183377262 /nfs/dbraw/zinc/37/72/62/183377262.db2.gz DJRILPYKTXRZFQ-AWEZNQCLSA-N 1 0 317.393 2.455 50 0 DEAARO CCOc1ccccc1CN1CC[N@@H+](C(C)C)C[C@H]1CCO ZINC000104558499 194015489 /nfs/dbraw/zinc/01/54/89/194015489.db2.gz DPVWPYNHGBKQCV-QGZVFWFLSA-N 1 0 306.450 2.362 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000106068082 194183803 /nfs/dbraw/zinc/18/38/03/194183803.db2.gz MENLNMNTDGFZMQ-HOCLYGCPSA-N 1 0 320.433 2.201 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000106517066 194222900 /nfs/dbraw/zinc/22/29/00/194222900.db2.gz HDAITGTWJXXDKX-HOTGVXAUSA-N 1 0 310.397 2.433 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000050245905 183779206 /nfs/dbraw/zinc/77/92/06/183779206.db2.gz OLSJOHYTXBUHRM-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000053203151 183892439 /nfs/dbraw/zinc/89/24/39/183892439.db2.gz XZTPNUGEAKIXTP-SECBINFHSA-N 1 0 323.245 2.366 50 0 DEAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000110797739 194360392 /nfs/dbraw/zinc/36/03/92/194360392.db2.gz OXSZZFGFTPZAMT-SECBINFHSA-N 1 0 323.245 2.271 50 0 DEAARO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1Cl ZINC000682256700 542282459 /nfs/dbraw/zinc/28/24/59/542282459.db2.gz ONJGHXNAUZLLLJ-ZIAGYGMSSA-N 1 0 316.854 2.409 50 0 DEAARO Cc1csc(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)n1 ZINC000058174385 184084355 /nfs/dbraw/zinc/08/43/55/184084355.db2.gz 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O=c1c2c(ncn1CCc1cccs1)sc1c2CC[NH2+]C1 ZINC000065399149 184336647 /nfs/dbraw/zinc/33/66/47/184336647.db2.gz ARFMLEYVYLVTLD-UHFFFAOYSA-N 1 0 317.439 2.408 50 0 DEAARO Cc1n[nH]c(C)c1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065404146 184337934 /nfs/dbraw/zinc/33/79/34/184337934.db2.gz WBRSZNDDTYAHDI-UHFFFAOYSA-N 1 0 313.405 2.206 50 0 DEAARO CC[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065526747 184359412 /nfs/dbraw/zinc/35/94/12/184359412.db2.gz ZBUDZWHZZLQDPD-HNNXBMFYSA-N 1 0 304.438 2.203 50 0 DEAARO CCCOc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000065499690 184355711 /nfs/dbraw/zinc/35/57/11/184355711.db2.gz MUFBEPFNUIRUHM-NVXWUHKLSA-N 1 0 318.417 2.068 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000065624459 184375245 /nfs/dbraw/zinc/37/52/45/184375245.db2.gz DZEUEYXAQSBSPJ-ZDUSSCGKSA-N 1 0 304.312 2.005 50 0 DEAARO O=C1CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]2N1CCCCO ZINC000072411302 296330559 /nfs/dbraw/zinc/33/05/59/296330559.db2.gz 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256535191 /nfs/dbraw/zinc/53/51/91/256535191.db2.gz NXACFSZWKNQLNM-CQSZACIVSA-N 1 0 310.463 2.259 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCc3ccccc3C2)n1 ZINC000096424057 257210606 /nfs/dbraw/zinc/21/06/06/257210606.db2.gz PJXDALKLQMJATA-UHFFFAOYSA-N 1 0 313.405 2.035 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)nc21 ZINC000237591240 257238300 /nfs/dbraw/zinc/23/83/00/257238300.db2.gz NRDOFHQVTMYKKP-QWHCGFSZSA-N 1 0 300.406 2.142 50 0 DEAARO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000521396264 257240541 /nfs/dbraw/zinc/24/05/41/257240541.db2.gz FUQPCHIUHLIOHR-DLBZAZTESA-N 1 0 302.418 2.405 50 0 DEAARO CC(=O)c1c(F)cccc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000275606083 257256592 /nfs/dbraw/zinc/25/65/92/257256592.db2.gz SSYXTZPTHYMWES-GFCCVEGCSA-N 1 0 308.397 2.310 50 0 DEAARO C[NH+](C)C1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000071828398 184858274 /nfs/dbraw/zinc/85/82/74/184858274.db2.gz GAZZISBEUNMJSJ-UHFFFAOYSA-N 1 0 316.380 2.178 50 0 DEAARO O=C(Cc1cnn(-c2ccccc2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839669 184864789 /nfs/dbraw/zinc/86/47/89/184864789.db2.gz KMMBCVGKIZQELU-SFHVURJKSA-N 1 0 324.428 2.112 50 0 DEAARO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000121585022 195311680 /nfs/dbraw/zinc/31/16/80/195311680.db2.gz JDDJDOGZPFXQKU-ZACQAIPSSA-N 1 0 302.418 2.101 50 0 DEAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(N)c2)CC1 ZINC000685939968 542767812 /nfs/dbraw/zinc/76/78/12/542767812.db2.gz NMUBCXRCVLJFLQ-UHFFFAOYSA-N 1 0 310.401 2.273 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1nccs1 ZINC000003080179 401721317 /nfs/dbraw/zinc/72/13/17/401721317.db2.gz IJZCJHJETXLSBO-UHFFFAOYSA-N 1 0 316.430 2.294 50 0 DEAARO CCOc1ncccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000003363834 401724276 /nfs/dbraw/zinc/72/42/76/401724276.db2.gz QVZUNVWRTWGPBB-UHFFFAOYSA-N 1 0 305.422 2.475 50 0 DEAARO O[C@H]1CC[C@@H]2C[N@@H+]3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 ZINC000006091497 401730950 /nfs/dbraw/zinc/73/09/50/401730950.db2.gz 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CC[NH+]1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 ZINC000077321525 401810442 /nfs/dbraw/zinc/81/04/42/401810442.db2.gz VDEFLLQPRZCIKZ-UHFFFAOYSA-N 1 0 303.454 2.408 50 0 DEAARO O=C1C[C@H]([NH2+]C2CCSCC2)CN1Cc1ccc(F)cc1 ZINC000012074180 401778837 /nfs/dbraw/zinc/77/88/37/401778837.db2.gz UDFKJUDBUPIQFJ-HNNXBMFYSA-N 1 0 308.422 2.412 50 0 DEAARO COc1ccc2c(CC(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)coc2c1 ZINC000076050662 401779212 /nfs/dbraw/zinc/77/92/12/401779212.db2.gz NWXCLPRTFHCIBY-MLGOLLRUSA-N 1 0 316.401 2.392 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000012408939 401785081 /nfs/dbraw/zinc/78/50/81/401785081.db2.gz RWNLPYWHFYQLFM-UHFFFAOYSA-N 1 0 318.352 2.091 50 0 DEAARO CN(C)c1ncccc1C[NH2+]Cc1cccn1-c1ncccn1 ZINC000012703244 401790253 /nfs/dbraw/zinc/79/02/53/401790253.db2.gz AWBSQQLKRFLMBI-UHFFFAOYSA-N 1 0 308.389 2.018 50 0 DEAARO O=C(C[NH+]1CCCCCCC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077505786 401818075 /nfs/dbraw/zinc/81/80/75/401818075.db2.gz CVTGSSIRCVAMJN-HNNXBMFYSA-N 1 0 304.438 2.382 50 0 DEAARO O=C(C[NH+]1CCCCCCC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077505785 401818141 /nfs/dbraw/zinc/81/81/41/401818141.db2.gz CVTGSSIRCVAMJN-OAHLLOKOSA-N 1 0 304.438 2.382 50 0 DEAARO COc1cccc([C@H]2CCC[N@@H+]2CCN2CCC(O)CC2)c1 ZINC000020537926 401824654 /nfs/dbraw/zinc/82/46/54/401824654.db2.gz BDSAYMXVYKSBMI-GOSISDBHSA-N 1 0 304.434 2.289 50 0 DEAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000026910278 401842667 /nfs/dbraw/zinc/84/26/67/401842667.db2.gz YQBTZNYKRPKOIR-NSHDSACASA-N 1 0 307.369 2.149 50 0 DEAARO CNC(=O)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000028903374 401853928 /nfs/dbraw/zinc/85/39/28/401853928.db2.gz LMFRQNZAJRFPGR-UHFFFAOYSA-N 1 0 323.824 2.127 50 0 DEAARO CCC[C@@H](C)[N@H+](C)CC(=O)NC(=O)NCCc1cccs1 ZINC000030270058 401862223 /nfs/dbraw/zinc/86/22/23/401862223.db2.gz MJNLLGLSARAEGE-GFCCVEGCSA-N 1 0 311.451 2.237 50 0 DEAARO Cc1ccc(-c2nc3nc(C)cc(N4CC[NH+](C)CC4)n3n2)cc1 ZINC000014610263 401812744 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Cc1nc2c(c(N3CC[C@H]([NH+](C)C)C3)n1)Cc1ccccc1OC2 ZINC000095527814 402034145 /nfs/dbraw/zinc/03/41/45/402034145.db2.gz ZLWHWVHZMIXLCD-HNNXBMFYSA-N 1 0 324.428 2.409 50 0 DEAARO COc1cccc(C[N@H+](C)Cc2ccn(C)c(=O)c2)c1OC ZINC000051475203 402034707 /nfs/dbraw/zinc/03/47/07/402034707.db2.gz GWWKWMLMEZFQJP-UHFFFAOYSA-N 1 0 302.374 2.035 50 0 DEAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(n4ccnc4)CC3)nc12 ZINC000095955983 402036753 /nfs/dbraw/zinc/03/67/53/402036753.db2.gz VXQGHMDCTRHVIT-UHFFFAOYSA-N 1 0 323.400 2.037 50 0 DEAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccnn1C1CCCCC1 ZINC000095971646 402038990 /nfs/dbraw/zinc/03/89/90/402038990.db2.gz PULQZDCNMAQJOM-CQSZACIVSA-N 1 0 306.410 2.095 50 0 DEAARO Cc1nccn1CCCN(C)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000095972460 402039063 /nfs/dbraw/zinc/03/90/63/402039063.db2.gz YWNSZPATWRJDAF-ZNMIVQPWSA-N 1 0 306.454 2.301 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)CC2 ZINC000095973560 402039770 /nfs/dbraw/zinc/03/97/70/402039770.db2.gz 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CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000096432444 402085690 /nfs/dbraw/zinc/08/56/90/402085690.db2.gz YEEFDXAVUKNBLG-MAUKXSAKSA-N 1 0 316.445 2.491 50 0 DEAARO CN(C)c1ccccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000096441362 402087831 /nfs/dbraw/zinc/08/78/31/402087831.db2.gz IQMOIBZEMNFVKA-QGZVFWFLSA-N 1 0 303.450 2.049 50 0 DEAARO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000096443494 402088362 /nfs/dbraw/zinc/08/83/62/402088362.db2.gz BNYTVDJLCKXUBR-LLVKDONJSA-N 1 0 319.327 2.297 50 0 DEAARO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000096481282 402093918 /nfs/dbraw/zinc/09/39/18/402093918.db2.gz NFVIOLJISJXWTD-OCCSQVGLSA-N 1 0 308.447 2.092 50 0 DEAARO Cc1cc(C)nc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c1 ZINC000096500657 402097772 /nfs/dbraw/zinc/09/77/72/402097772.db2.gz OAXRMHUTMWOUMV-UHFFFAOYSA-N 1 0 314.389 2.286 50 0 DEAARO Cn1nccc1C[NH2+]CCNc1cccc(Br)c1 ZINC000097048126 402102444 /nfs/dbraw/zinc/10/24/44/402102444.db2.gz BDMFEHDPFNGHCK-UHFFFAOYSA-N 1 0 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OC[C@H]1CC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067740848 402171139 /nfs/dbraw/zinc/17/11/39/402171139.db2.gz QFQSHOZWOBDELB-AWEZNQCLSA-N 1 0 308.385 2.211 50 0 DEAARO Cc1nnsc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000067770104 402172190 /nfs/dbraw/zinc/17/21/90/402172190.db2.gz OXZGVYCRDOCXRS-CQSZACIVSA-N 1 0 316.430 2.066 50 0 DEAARO C[N@H+](CCC(=O)NCc1ccco1)Cc1[nH]nc2c1CCCC2 ZINC000067772825 402172481 /nfs/dbraw/zinc/17/24/81/402172481.db2.gz BRMPGXKAFOJMSR-UHFFFAOYSA-N 1 0 316.405 2.020 50 0 DEAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000102839583 402173390 /nfs/dbraw/zinc/17/33/90/402173390.db2.gz GNFCQTIKQZPCGD-ZSHCYNCHSA-N 1 0 320.820 2.175 50 0 DEAARO CN(c1ncccc1C(=O)N[C@@H]1CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000067819058 402173516 /nfs/dbraw/zinc/17/35/16/402173516.db2.gz JXKIYBJKPMODCQ-ZIAGYGMSSA-N 1 0 316.449 2.460 50 0 DEAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000067834242 402174153 /nfs/dbraw/zinc/17/41/53/402174153.db2.gz KRZXGJHFAYYKHY-OAHLLOKOSA-N 1 0 312.417 2.334 50 0 DEAARO Cc1nc(NCc2cncn2C2CC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067843466 402174958 /nfs/dbraw/zinc/17/49/58/402174958.db2.gz XHGFIXVKTGSKIZ-CYBMUJFWSA-N 1 0 312.421 2.396 50 0 DEAARO Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000069376954 402220723 /nfs/dbraw/zinc/22/07/23/402220723.db2.gz QRFOLABWAJJTTQ-AWEZNQCLSA-N 1 0 320.481 2.331 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000069463996 402225468 /nfs/dbraw/zinc/22/54/68/402225468.db2.gz BDDLPSOLMBTOJX-AWEZNQCLSA-N 1 0 312.417 2.262 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000069484800 402225862 /nfs/dbraw/zinc/22/58/62/402225862.db2.gz SWQDRFROPYWUGI-LLVKDONJSA-N 1 0 301.316 2.129 50 0 DEAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(=O)N(C)C ZINC000069521448 402228771 /nfs/dbraw/zinc/22/87/71/402228771.db2.gz QKXCWYSXHHZXAR-UHFFFAOYSA-N 1 0 300.406 2.174 50 0 DEAARO COc1ccccc1-c1nc(C(=O)NC[C@H](C)[NH+](C)C)cs1 ZINC000069558504 402230795 /nfs/dbraw/zinc/23/07/95/402230795.db2.gz NFZGHXPKJMSPRI-NSHDSACASA-N 1 0 319.430 2.499 50 0 DEAARO Cc1cc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCCC2)n(C)n1 ZINC000069590557 402232740 /nfs/dbraw/zinc/23/27/40/402232740.db2.gz RZYPDBRMVUFDSC-CQSZACIVSA-N 1 0 307.442 2.361 50 0 DEAARO COc1ccccc1OCC[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069625574 402235349 /nfs/dbraw/zinc/23/53/49/402235349.db2.gz KWTQHIWCZJGRQV-HNNXBMFYSA-N 1 0 316.405 2.220 50 0 DEAARO Cc1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)nc2ccccc12 ZINC000069654157 402236715 /nfs/dbraw/zinc/23/67/15/402236715.db2.gz FALWXGIQHRYACH-OAHLLOKOSA-N 1 0 322.416 2.442 50 0 DEAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000069697888 402239295 /nfs/dbraw/zinc/23/92/95/402239295.db2.gz FSJBBQGRSNIDCW-INIZCTEOSA-N 1 0 306.454 2.302 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000069741064 402241620 /nfs/dbraw/zinc/24/16/20/402241620.db2.gz CCUKMEVPSDBNQW-CABCVRRESA-N 1 0 316.380 2.401 50 0 DEAARO c1ccc2oc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)nc2c1 ZINC000069872322 402248461 /nfs/dbraw/zinc/24/84/61/402248461.db2.gz XEGHVJKIIMECLG-CYBMUJFWSA-N 1 0 309.373 2.376 50 0 DEAARO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCc4ncnn4C3)co2)cc1 ZINC000069873025 402248468 /nfs/dbraw/zinc/24/84/68/402248468.db2.gz AJYCTPWVVMSSLK-CQSZACIVSA-N 1 0 309.373 2.346 50 0 DEAARO C[C@](O)(C[NH2+]CCn1cccn1)c1cccc(C(F)(F)F)c1 ZINC000069901719 402250478 /nfs/dbraw/zinc/25/04/78/402250478.db2.gz UHIWMWSBANXGHY-AWEZNQCLSA-N 1 0 313.323 2.399 50 0 DEAARO C[N@H+](Cc1cn2ccccc2n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000069951419 402252799 /nfs/dbraw/zinc/25/27/99/402252799.db2.gz VLOZOBKSEIFAKF-INIZCTEOSA-N 1 0 322.416 2.225 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)N(C)Cc1cccc(F)c1 ZINC000069952163 402252930 /nfs/dbraw/zinc/25/29/30/402252930.db2.gz SLEVCEFHLYCABM-UONOGXRCSA-N 1 0 318.396 2.047 50 0 DEAARO Cc1cnn(CC[NH2+]CCCc2nc(-c3ccccc3)no2)c1 ZINC000070008298 402254415 /nfs/dbraw/zinc/25/44/15/402254415.db2.gz NCENRUDDDJKEBE-UHFFFAOYSA-N 1 0 311.389 2.464 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000125015570 402208884 /nfs/dbraw/zinc/20/88/84/402208884.db2.gz RDRSYNKPGVIIID-CQSZACIVSA-N 1 0 311.385 2.095 50 0 DEAARO CC[C@H]1CN(C(=O)CCC(=O)Nc2cc(C)ccc2F)CC[NH2+]1 ZINC000071314946 402272887 /nfs/dbraw/zinc/27/28/87/402272887.db2.gz OYMUXGBGERLGFO-ZDUSSCGKSA-N 1 0 321.396 2.063 50 0 DEAARO CC(C)Cc1ncc2c(n1)CN(C(=O)C[NH+]1CCCCCC1)C2 ZINC000071315295 402272918 /nfs/dbraw/zinc/27/29/18/402272918.db2.gz ZBRHOHADGKVXIT-UHFFFAOYSA-N 1 0 316.449 2.393 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(Cl)s2)C1 ZINC000071479403 402274678 /nfs/dbraw/zinc/27/46/78/402274678.db2.gz LRRPQTZNYSGMGY-PHDIDXHHSA-N 1 0 315.247 2.213 50 0 DEAARO CC(C)n1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n1 ZINC000215070615 402281267 /nfs/dbraw/zinc/28/12/67/402281267.db2.gz RMFBAHZRWRYDPH-HZPDHXFCSA-N 1 0 316.449 2.410 50 0 DEAARO Cc1ccc2oc(=O)n(CN3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000071817263 402281781 /nfs/dbraw/zinc/28/17/81/402281781.db2.gz QJIISEMDVRPKPS-UHFFFAOYSA-N 1 0 315.417 2.421 50 0 DEAARO COc1cccc(SCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000071821496 402282691 /nfs/dbraw/zinc/28/26/91/402282691.db2.gz WFOPOCKXKXPSQB-ZDUSSCGKSA-N 1 0 320.458 2.388 50 0 DEAARO CCc1nccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000215632843 402283937 /nfs/dbraw/zinc/28/39/37/402283937.db2.gz VAIQLQUCQRTJJV-CQSZACIVSA-N 1 0 322.416 2.461 50 0 DEAARO CCc1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)on1 ZINC000215669613 402284125 /nfs/dbraw/zinc/28/41/25/402284125.db2.gz OGQDPZCHGHEUOW-UHFFFAOYSA-N 1 0 323.462 2.327 50 0 DEAARO C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)n1cnc2ccccc21 ZINC000071829918 402284315 /nfs/dbraw/zinc/28/43/15/402284315.db2.gz IMFRFIAQSKHTBN-AWEZNQCLSA-N 1 0 312.417 2.152 50 0 DEAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000071837138 402286608 /nfs/dbraw/zinc/28/66/08/402286608.db2.gz VSRVPKWSDWJROT-KRWDZBQOSA-N 1 0 303.381 2.408 50 0 DEAARO CN(C)c1ccc(CCNC(=O)C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000216204887 402287825 /nfs/dbraw/zinc/28/78/25/402287825.db2.gz CMWNHFUWXBROIL-KRWDZBQOSA-N 1 0 303.450 2.286 50 0 DEAARO CC1CC[NH+](CCNC(=O)Nc2cccc3nonc32)CC1 ZINC000225850107 402324874 /nfs/dbraw/zinc/32/48/74/402324874.db2.gz QBRIUAUUKUVISX-UHFFFAOYSA-N 1 0 303.366 2.076 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 ZINC000222131640 402305529 /nfs/dbraw/zinc/30/55/29/402305529.db2.gz FKJMXTMGISCMPH-OIISXLGYSA-N 1 0 302.418 2.208 50 0 DEAARO OCCOCCN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000222292944 402306862 /nfs/dbraw/zinc/30/68/62/402306862.db2.gz VTSXFKKZYKQFCW-UHFFFAOYSA-N 1 0 320.458 2.028 50 0 DEAARO CC(C)(C)OC1CC(CCNC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000225461597 402318685 /nfs/dbraw/zinc/31/86/85/402318685.db2.gz LZKXVEBIXCPGGE-UHFFFAOYSA-N 1 0 323.481 2.460 50 0 DEAARO CCC[C@@H]([NH3+])CNC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000225487268 402319280 /nfs/dbraw/zinc/31/92/80/402319280.db2.gz QTXHBWUPAWGXLU-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/45/01/13/402450113.db2.gz UFWTUWXTSUSDGO-GASCZTMLSA-N 1 0 324.432 2.043 50 0 DEAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000237979135 402429689 /nfs/dbraw/zinc/42/96/89/402429689.db2.gz YPQODCBOYINLCI-VIFPVBQESA-N 1 0 323.245 2.246 50 0 DEAARO O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[NH2+]CC1 ZINC000238011039 402431632 /nfs/dbraw/zinc/43/16/32/402431632.db2.gz XKLQSPNSYAEVBZ-UHFFFAOYSA-N 1 0 312.369 2.290 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCCOC1 ZINC000245339050 402453388 /nfs/dbraw/zinc/45/33/88/402453388.db2.gz QFDRAEDWYGEULB-BPQIPLTHSA-N 1 0 316.445 2.440 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCOC1 ZINC000245339052 402453449 /nfs/dbraw/zinc/45/34/49/402453449.db2.gz QFDRAEDWYGEULB-NJAFHUGGSA-N 1 0 316.445 2.440 50 0 DEAARO CC1(C(=O)N[C@H]2CCC[C@H]2O)CC[NH+](Cc2ccccc2)CC1 ZINC000165122843 402472936 /nfs/dbraw/zinc/47/29/36/402472936.db2.gz CQFZKQZXUCUBIP-DLBZAZTESA-N 1 0 316.445 2.318 50 0 DEAARO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245835604 402490735 /nfs/dbraw/zinc/49/07/35/402490735.db2.gz CUTJOPGWDGFQAH-IRXDYDNUSA-N 1 0 315.417 2.305 50 0 DEAARO C[C@@H]([NH2+][C@@]1(CO)CCOC1)c1cc(Br)ccc1F ZINC000170077953 402502898 /nfs/dbraw/zinc/50/28/98/402502898.db2.gz RIDYRTVIKXEJPZ-NOZJJQNGSA-N 1 0 318.186 2.390 50 0 DEAARO CC(C)C(=O)N[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000170621633 402508637 /nfs/dbraw/zinc/50/86/37/402508637.db2.gz SVHMEHQHAMIKMQ-OYHNWAKOSA-N 1 0 322.474 2.031 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000178962504 402559564 /nfs/dbraw/zinc/55/95/64/402559564.db2.gz HIZFRSRDECMEMJ-JTQLQIEISA-N 1 0 301.312 2.090 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2F)n1 ZINC000178590404 402514766 /nfs/dbraw/zinc/51/47/66/402514766.db2.gz XUCWXZXVGQUPQP-ZDUSSCGKSA-N 1 0 316.380 2.049 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1cnccn1 ZINC000248075506 402582112 /nfs/dbraw/zinc/58/21/12/402582112.db2.gz UBNNOGYZOQZMBZ-CRAIPNDOSA-N 1 0 324.428 2.459 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000248144327 402583756 /nfs/dbraw/zinc/58/37/56/402583756.db2.gz RGNHGEXLSXSGCO-VXGBXAGGSA-N 1 0 308.344 2.041 50 0 DEAARO CN1CC[C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)c2ccccc21 ZINC000248147680 402583787 /nfs/dbraw/zinc/58/37/87/402583787.db2.gz SJVQCKQKRBYYMU-GJZGRUSLSA-N 1 0 311.433 2.138 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]1CCOC1 ZINC000248732185 402606049 /nfs/dbraw/zinc/60/60/49/402606049.db2.gz DHCVZDLJPUDHJS-NJAFHUGGSA-N 1 0 316.445 2.440 50 0 DEAARO CC[C@H](Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1)C(N)=O ZINC000190796598 402623878 /nfs/dbraw/zinc/62/38/78/402623878.db2.gz KTZIEPRQIACMEU-KRWDZBQOSA-N 1 0 318.465 2.201 50 0 DEAARO CCOC(=O)[C@H]1CCCN1C1CC[NH+](Cc2cccnc2)CC1 ZINC000180753650 402625373 /nfs/dbraw/zinc/62/53/73/402625373.db2.gz XDYHOUUECDBQNB-QGZVFWFLSA-N 1 0 317.433 2.074 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1c(C)noc1C ZINC000249694259 402638418 /nfs/dbraw/zinc/63/84/18/402638418.db2.gz ORONLJOENCWBPP-HZPDHXFCSA-N 1 0 305.422 2.309 50 0 DEAARO CO[C@@H]1CCCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000252586329 402659024 /nfs/dbraw/zinc/65/90/24/402659024.db2.gz PGAOUQYWQMTSAU-YHUYYLMFSA-N 1 0 311.470 2.316 50 0 DEAARO C[NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000252478739 402653792 /nfs/dbraw/zinc/65/37/92/402653792.db2.gz AUDYSBZVFAKOQN-SFHVURJKSA-N 1 0 314.385 2.129 50 0 DEAARO FC(F)(F)c1nc2nc[nH]c2c(NCC[NH+]2CCCCC2)n1 ZINC000252478524 402653902 /nfs/dbraw/zinc/65/39/02/402653902.db2.gz AOWPIKLGYKPPKM-UHFFFAOYSA-N 1 0 314.315 2.270 50 0 DEAARO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)[C@@]2(C)CCCO2)c1 ZINC000252495558 402656255 /nfs/dbraw/zinc/65/62/55/402656255.db2.gz OTJVAIIQSLNSFJ-JCURWCKSSA-N 1 0 309.406 2.284 50 0 DEAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCC(=O)NCc1cccs1 ZINC000252505736 402657324 /nfs/dbraw/zinc/65/73/24/402657324.db2.gz VTJCJOYDEVUZNR-ZDUSSCGKSA-N 1 0 318.446 2.107 50 0 DEAARO C[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000192126035 402712971 /nfs/dbraw/zinc/71/29/71/402712971.db2.gz LCRGDTAYOHWKPB-BXUZGUMPSA-N 1 0 317.838 2.128 50 0 DEAARO CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000253370262 402662905 /nfs/dbraw/zinc/66/29/05/402662905.db2.gz OKUIXNRNXYQTIE-HDMKZQKVSA-N 1 0 323.481 2.316 50 0 DEAARO CC1(C)CN(C(=O)/C=C\c2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000255387148 402685836 /nfs/dbraw/zinc/68/58/36/402685836.db2.gz JCCGVYHUJLZGSR-HJWRWDBZSA-N 1 0 310.401 2.096 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc(OC)c1 ZINC000255589243 402692283 /nfs/dbraw/zinc/69/22/83/402692283.db2.gz MYJFPQUOCVESBH-WEHFYCOYSA-N 1 0 318.417 2.303 50 0 DEAARO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)[nH]n2)cc1 ZINC000192504890 402733382 /nfs/dbraw/zinc/73/33/82/402733382.db2.gz BDUQOIDVTSSHBP-GASCZTMLSA-N 1 0 310.401 2.019 50 0 DEAARO O=C(c1ccc(F)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000278841462 402877190 /nfs/dbraw/zinc/87/71/90/402877190.db2.gz JHBQPVFRFRDQGR-UHFFFAOYSA-N 1 0 321.392 2.262 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000269259360 403125321 /nfs/dbraw/zinc/12/53/21/403125321.db2.gz IXACDJSIRKAJPR-YPMHNXCESA-N 1 0 316.430 2.405 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000269622431 403150746 /nfs/dbraw/zinc/15/07/46/403150746.db2.gz ISEPXJONRSCNHU-RYUDHWBXSA-N 1 0 316.854 2.396 50 0 DEAARO COCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000110595889 292275487 /nfs/dbraw/zinc/27/54/87/292275487.db2.gz AWGNOBHWBBSXCR-CRAIPNDOSA-N 1 0 320.433 2.231 50 0 DEAARO CCc1c(-c2cccc(C(=O)NC[C@@H]3CCC[NH2+]3)c2)cnn1C ZINC000299760256 403566680 /nfs/dbraw/zinc/56/66/80/403566680.db2.gz ILXVSTNDMKCKJB-HNNXBMFYSA-N 1 0 312.417 2.131 50 0 DEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2ccccc2c1 ZINC000299772068 403570950 /nfs/dbraw/zinc/57/09/50/403570950.db2.gz XLIKFQOSARPQMV-MSOLQXFVSA-N 1 0 311.429 2.266 50 0 DEAARO CC[C@@H](C(=O)NCc1nc2cc(OC)ccc2o1)[NH+]1CCCC1 ZINC000299785766 403574684 /nfs/dbraw/zinc/57/46/84/403574684.db2.gz NMYIQAMRZBNTRT-AWEZNQCLSA-N 1 0 317.389 2.327 50 0 DEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC000299793001 403577595 /nfs/dbraw/zinc/57/75/95/403577595.db2.gz IGPSKXXNAIPKHA-AWEZNQCLSA-N 1 0 308.397 2.222 50 0 DEAARO O=S(=O)(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccn1 ZINC000333199064 403691983 /nfs/dbraw/zinc/69/19/83/403691983.db2.gz YGWRDXWWXRUWDA-HNNXBMFYSA-N 1 0 323.462 2.157 50 0 DEAARO Cc1ncc(Br)cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333251681 403707238 /nfs/dbraw/zinc/70/72/38/403707238.db2.gz CPGWVQJILBUDCE-JTQLQIEISA-N 1 0 313.199 2.026 50 0 DEAARO CC[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@]2(CCOC2)O1 ZINC000376022417 404789845 /nfs/dbraw/zinc/78/98/45/404789845.db2.gz SIPSGWZSRCLZNY-WBVHZDCISA-N 1 0 301.390 2.333 50 0 DEAARO Cn1ccnc(N2CCC[C@H]([NH2+]C3CC(C(C)(C)C)C3)C2)c1=O ZINC000354153503 405070976 /nfs/dbraw/zinc/07/09/76/405070976.db2.gz JKFOQVMJSPZSGC-SLTAFYQDSA-N 1 0 318.465 2.163 50 0 DEAARO COc1ccccc1CN(C(=O)NCC[NH+]1CCCC1)C1CC1 ZINC000426388169 405356297 /nfs/dbraw/zinc/35/62/97/405356297.db2.gz OIKQAHDIXKRJKM-UHFFFAOYSA-N 1 0 317.433 2.465 50 0 DEAARO Cn1cccc1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426435424 405359793 /nfs/dbraw/zinc/35/97/93/405359793.db2.gz PERHLIKFAUINHC-UHFFFAOYSA-N 1 0 303.450 2.435 50 0 DEAARO COc1cccnc1-c1ccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000426494680 405363669 /nfs/dbraw/zinc/36/36/69/405363669.db2.gz UNTNQFCYMNEDNQ-CABCVRRESA-N 1 0 311.385 2.367 50 0 DEAARO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@](C)(c3ccccc3)C2)C1 ZINC000585132431 405875311 /nfs/dbraw/zinc/87/53/11/405875311.db2.gz WPYJCVFIUXWMCZ-QAPCUYQASA-N 1 0 302.418 2.102 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000130849813 196115281 /nfs/dbraw/zinc/11/52/81/196115281.db2.gz NCNFQOBFIDGUBB-CQSZACIVSA-N 1 0 306.406 2.112 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000132422095 196254039 /nfs/dbraw/zinc/25/40/39/196254039.db2.gz YEKZSSQMKSJLJM-GFCCVEGCSA-N 1 0 309.207 2.040 50 0 DEAARO CN(Cc1cc(Br)cs1)C(=O)C(C)(C)C[NH3+] ZINC000133050558 196307895 /nfs/dbraw/zinc/30/78/95/196307895.db2.gz VZDCUILQTHDIGX-UHFFFAOYSA-N 1 0 305.241 2.454 50 0 DEAARO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000408524282 227241659 /nfs/dbraw/zinc/24/16/59/227241659.db2.gz RYISSDGZOYVPRH-AWEZNQCLSA-N 1 0 314.307 2.440 50 0 DEAARO O=C(NCc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000047955112 424828840 /nfs/dbraw/zinc/82/88/40/424828840.db2.gz CBXZGWIVLQCQST-KRWDZBQOSA-N 1 0 317.433 2.083 50 0 DEAARO CS[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000048226677 424830844 /nfs/dbraw/zinc/83/08/44/424830844.db2.gz ILOUYLBMWGVOHC-CYBMUJFWSA-N 1 0 307.463 2.124 50 0 DEAARO O=C(COc1ccc(C[NH2+]CCCO)cc1)Nc1ccccc1 ZINC000048275582 424831632 /nfs/dbraw/zinc/83/16/32/424831632.db2.gz GINNZTNUENUHMJ-UHFFFAOYSA-N 1 0 314.385 2.176 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)[C@H](CC)C1 ZINC000107323684 424850103 /nfs/dbraw/zinc/85/01/03/424850103.db2.gz NCKXJDBNIRLZBN-UPJWGTAASA-N 1 0 308.426 2.320 50 0 DEAARO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1NC(C)=O)C2 ZINC000108467347 424851433 /nfs/dbraw/zinc/85/14/33/424851433.db2.gz XRQHUJURCNKUSC-CRAIPNDOSA-N 1 0 316.401 2.420 50 0 DEAARO O=C(NCc1cnc2c(c1)CCC2)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000244605605 424886001 /nfs/dbraw/zinc/88/60/01/424886001.db2.gz FBQYVBCZFXFGHA-SJLPKXTDSA-N 1 0 313.445 2.451 50 0 DEAARO O=C(c1ccc(-n2cccc2)nc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000252509285 424888446 /nfs/dbraw/zinc/88/84/46/424888446.db2.gz YJLVCKSPAORXJX-UHFFFAOYSA-N 1 0 324.428 2.478 50 0 DEAARO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000657841877 425407278 /nfs/dbraw/zinc/40/72/78/425407278.db2.gz AJNVURZHKWOUBH-JTQLQIEISA-N 1 0 320.405 2.364 50 0 DEAARO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000658013789 425426878 /nfs/dbraw/zinc/42/68/78/425426878.db2.gz LYWBNGKSGJXJIH-KBXIAJHMSA-N 1 0 314.495 2.215 50 0 DEAARO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(OCCO)c1 ZINC000655762925 425647188 /nfs/dbraw/zinc/64/71/88/425647188.db2.gz ZYNYVPMYENVRRA-QGZVFWFLSA-N 1 0 320.433 2.031 50 0 DEAARO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007444491 274192191 /nfs/dbraw/zinc/19/21/91/274192191.db2.gz NHQXHBKADXBXEY-MCIONIFRSA-N 1 0 315.417 2.338 50 0 DEAARO CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000222396078 275557581 /nfs/dbraw/zinc/55/75/81/275557581.db2.gz IQVHUMRXJAIONB-HZPDHXFCSA-N 1 0 324.465 2.117 50 0 DEAARO CC[NH+]1CCN(c2cc3c(nn2)Oc2ccccc2N3C)CC1 ZINC000019288407 276202616 /nfs/dbraw/zinc/20/26/16/276202616.db2.gz WCZLZKLICVOKBC-UHFFFAOYSA-N 1 0 311.389 2.492 50 0 DEAARO CN1CCC[C@](O)(C[NH2+]Cc2ccccc2-c2ccccc2)C1=O ZINC000014963717 277085199 /nfs/dbraw/zinc/08/51/99/277085199.db2.gz VNWMESOLWGYUFM-FQEVSTJZSA-N 1 0 324.424 2.427 50 0 DEAARO COC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436589 277318719 /nfs/dbraw/zinc/31/87/19/277318719.db2.gz SGSPCSRJUOESEF-QWHCGFSZSA-N 1 0 317.307 2.376 50 0 DEAARO C[C@@H](C1CCN(c2cncc(N(C)C)n2)CC1)[NH+]1CCCC1 ZINC000095358174 278220020 /nfs/dbraw/zinc/22/00/20/278220020.db2.gz JXITXKXJAKXGCO-AWEZNQCLSA-N 1 0 303.454 2.243 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000328597988 278394564 /nfs/dbraw/zinc/39/45/64/278394564.db2.gz JZDTULJFKHDDJW-GJZGRUSLSA-N 1 0 312.454 2.480 50 0 DEAARO CC(C)CNC(=O)[C@H](C)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000221746666 278916655 /nfs/dbraw/zinc/91/66/55/278916655.db2.gz PEFAAPHKUISCGQ-DLBZAZTESA-N 1 0 309.498 2.488 50 0 DEAARO CCC[C@](CO)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000006274319 278969114 /nfs/dbraw/zinc/96/91/14/278969114.db2.gz SFPFECOZWGGHKE-IEBWSBKVSA-N 1 0 317.429 2.354 50 0 DEAARO Cc1nn(C)c(N(C)C)c1CNCC1([NH+](C)C)CCCCC1 ZINC000058394357 279196587 /nfs/dbraw/zinc/19/65/87/279196587.db2.gz HNIFLLLIEXMLGT-UHFFFAOYSA-N 1 0 307.486 2.149 50 0 DEAARO C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)[C@H]1C[NH3+] ZINC000237658654 279665040 /nfs/dbraw/zinc/66/50/40/279665040.db2.gz MGDMHOGPHQAMNG-LRDDRELGSA-N 1 0 316.380 2.211 50 0 DEAARO COc1ccc(-n2nnnc2C2([NH2+]C(C)C)CCCC2)cc1 ZINC000035622174 295052348 /nfs/dbraw/zinc/05/23/48/295052348.db2.gz NFOHSPPVBQSHFP-UHFFFAOYSA-N 1 0 301.394 2.438 50 0 DEAARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000195544586 295267748 /nfs/dbraw/zinc/26/77/48/295267748.db2.gz CKEYSRDNGGDIRU-OCCSQVGLSA-N 1 0 319.430 2.031 50 0 DEAARO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000097009240 295268558 /nfs/dbraw/zinc/26/85/58/295268558.db2.gz VDVCHSVGABMNFD-IUODEOHRSA-N 1 0 319.430 2.031 50 0 DEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000253432713 303481272 /nfs/dbraw/zinc/48/12/72/303481272.db2.gz MZFPVTNQWQLRRT-OWCLPIDISA-N 1 0 304.459 2.443 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000215930793 333387552 /nfs/dbraw/zinc/38/75/52/333387552.db2.gz GFTPLPMIRKHZJR-AWEZNQCLSA-N 1 0 316.405 2.182 50 0 DEAARO COc1ccc(F)c(F)c1C(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000534585031 334291641 /nfs/dbraw/zinc/29/16/41/334291641.db2.gz RZHNEHFFGQTMEU-LLVKDONJSA-N 1 0 300.349 2.289 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CSCCSC2)CN1Cc1ccccc1 ZINC000534589546 334293657 /nfs/dbraw/zinc/29/36/57/334293657.db2.gz JQMOVTMNWUKIKY-CQSZACIVSA-N 1 0 322.499 2.226 50 0 DEAARO CC[C@@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC000534589956 334293781 /nfs/dbraw/zinc/29/37/81/334293781.db2.gz JVDDCKKHFPGIRJ-INIZCTEOSA-N 1 0 319.449 2.020 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000130396134 337383204 /nfs/dbraw/zinc/38/32/04/337383204.db2.gz JMUWOMRCTAYMKO-HOTGVXAUSA-N 1 0 323.481 2.461 50 0 DEAARO Cc1cccc(CNC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000408522964 534713125 /nfs/dbraw/zinc/71/31/25/534713125.db2.gz FOKNYRZEXLGAAW-LJQANCHMSA-N 1 0 315.461 2.029 50 0 DEAARO COc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1O ZINC000249751121 525826414 /nfs/dbraw/zinc/82/64/14/525826414.db2.gz QWEXALFXQVKOHB-STQMWFEESA-N 1 0 306.406 2.251 50 0 DEAARO COc1cccc(N2CCC([NH2+]CCc3cnn(C)c3)CC2)c1 ZINC000363538992 526141795 /nfs/dbraw/zinc/14/17/95/526141795.db2.gz DAIJXZGPKSQROX-UHFFFAOYSA-N 1 0 314.433 2.230 50 0 DEAARO C/C=C\c1ccc(OCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC000429381087 526342810 /nfs/dbraw/zinc/34/28/10/526342810.db2.gz RBYBORKQZNQOOH-LAWSMPECSA-N 1 0 318.417 2.316 50 0 DEAARO CC(C)C(=O)Nc1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)ccc1F ZINC000426562855 527533393 /nfs/dbraw/zinc/53/33/93/527533393.db2.gz IAPQKURSMYLKLA-NSHDSACASA-N 1 0 322.384 2.233 50 0 DEAARO C[NH+]1CCC(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000368277396 536335624 /nfs/dbraw/zinc/33/56/24/536335624.db2.gz BPSQRLGLVQOKOY-QGZVFWFLSA-N 1 0 302.418 2.398 50 0 DEAARO CC(C)(CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Oc1ccccc1 ZINC000888094348 635501342 /nfs/dbraw/zinc/50/13/42/635501342.db2.gz JJHFBQTYFKZUKA-HZPDHXFCSA-N 1 0 302.418 2.491 50 0 DEAARO C[C@@H]([NH3+])[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817142 639064304 /nfs/dbraw/zinc/06/43/04/639064304.db2.gz BIHVFGBJLBCGCW-KRWDZBQOSA-N 1 0 303.481 2.043 50 0 DEAARO C[N@@H+]1CC[C@@H](Oc2nccnc2N2CCc3ccccc3C2)C1 ZINC000169749211 646627626 /nfs/dbraw/zinc/62/76/26/646627626.db2.gz DVFKBUCUBUZLHQ-MRXNPFEDSA-N 1 0 310.401 2.122 50 0 DEAARO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1OCCc2ccccc21 ZINC000184207451 649244747 /nfs/dbraw/zinc/24/47/47/649244747.db2.gz KXBPNYWAUHEDPJ-SFHVURJKSA-N 1 0 310.397 2.288 50 0 DEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCc1cccc2c1OCO2 ZINC000184230384 649247208 /nfs/dbraw/zinc/24/72/08/649247208.db2.gz OZOWSPJYNWBPJQ-HNNXBMFYSA-N 1 0 318.417 2.291 50 0 DEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)CCc1cccc2c1OCO2 ZINC000184230402 649247231 /nfs/dbraw/zinc/24/72/31/649247231.db2.gz OZOWSPJYNWBPJQ-OAHLLOKOSA-N 1 0 318.417 2.291 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072125245 649288642 /nfs/dbraw/zinc/28/86/42/649288642.db2.gz BKQWBMYRGNMPNI-CQSZACIVSA-N 1 0 304.438 2.465 50 0 DEAARO c1nc(-c2ccccc2)sc1C[N@H+]1CCc2nncn2CC1 ZINC000014980158 683850443 /nfs/dbraw/zinc/85/04/43/683850443.db2.gz LJXSDHGURNXLLC-UHFFFAOYSA-N 1 0 311.414 2.460 50 0 DEAARO CC(C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000065394315 683923564 /nfs/dbraw/zinc/92/35/64/683923564.db2.gz SREJKSHLYCIVDX-SJLPKXTDSA-N 1 0 302.418 2.161 50 0 DEAARO C[C@@H](Cc1ccccn1)[NH2+]CCCNC(=O)c1cccs1 ZINC000863982640 686602396 /nfs/dbraw/zinc/60/23/96/686602396.db2.gz XJEYTFUPYFIMIA-ZDUSSCGKSA-N 1 0 303.431 2.484 50 0 DEAARO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(C)nc1N1CCCC1 ZINC000864096554 686619326 /nfs/dbraw/zinc/61/93/26/686619326.db2.gz FQWGXUIYMWBYBC-HNNXBMFYSA-N 1 0 305.422 2.231 50 0 DEAARO Clc1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC000127382435 722008920 /nfs/dbraw/zinc/00/89/20/722008920.db2.gz QYCDXASGAWBUMO-UHFFFAOYSA-N 1 0 302.809 2.495 50 0 DEAARO CN(Cc1ncc[nH]1)C(=O)NC[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000827887599 783704343 /nfs/dbraw/zinc/70/43/43/783704343.db2.gz PZTOZFCZFZZEBZ-CQSZACIVSA-N 1 0 319.453 2.206 50 0 DEAARO O=C(NCC1CC[NH+](CCCC(F)(F)F)CC1)c1ccon1 ZINC000828196583 783760809 /nfs/dbraw/zinc/76/08/09/783760809.db2.gz VQJFVAFQXVLQAR-UHFFFAOYSA-N 1 0 319.327 2.459 50 0 DEAARO OC1(c2ccccn2)CC[NH+](C2CSCCSC2)CC1 ZINC000828605324 783828469 /nfs/dbraw/zinc/82/84/69/783828469.db2.gz FVRVUZYAHXMGLC-UHFFFAOYSA-N 1 0 310.488 2.214 50 0 DEAARO O=C(C1CCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000581784327 784777193 /nfs/dbraw/zinc/77/71/93/784777193.db2.gz RNPRWYVCDFMBBO-INIZCTEOSA-N 1 0 306.450 2.423 50 0 DEAARO CNC(=O)N1CCC[C@@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000581805565 784784927 /nfs/dbraw/zinc/78/49/27/784784927.db2.gz CFLFTSYCFXNPDD-CQSZACIVSA-N 1 0 306.410 2.062 50 0 DEAARO COCC(=O)N1CCOc2ccc(C[NH+]3CCCCC3)cc2C1 ZINC000581820146 784789236 /nfs/dbraw/zinc/78/92/36/784789236.db2.gz UUBOWUBLFKWNFO-UHFFFAOYSA-N 1 0 318.417 2.040 50 0 DEAARO CC[N@H+](C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCN(C)C1 ZINC000585116893 789703347 /nfs/dbraw/zinc/70/33/47/789703347.db2.gz LQUHWUGRDSKWHP-DAYGRLMNSA-N 1 0 323.481 2.269 50 0 DEAARO CCc1cc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)nc(C)n1 ZINC000952854562 792779360 /nfs/dbraw/zinc/77/93/60/792779360.db2.gz KPBVVMMFWZPUEO-DLBZAZTESA-N 1 0 321.490 2.486 50 0 DEAARO CCCC[C@H]1C(=O)N(C)CCN1CC(C)(C)C[NH+]1CCCC1 ZINC000952860118 792781872 /nfs/dbraw/zinc/78/18/72/792781872.db2.gz FHIWYTWTSVBYGO-INIZCTEOSA-N 1 0 309.498 2.441 50 0 DEAARO CCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(C)sc1C ZINC000952873136 792790283 /nfs/dbraw/zinc/79/02/83/792790283.db2.gz VTGIXTSSJRJHGF-UHFFFAOYSA-N 1 0 316.492 2.471 50 0 DEAARO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)c1cnn(C)n1 ZINC000952876880 792792017 /nfs/dbraw/zinc/79/20/17/792792017.db2.gz ZOCLIDFKCZZDPH-WCFLWFBJSA-N 1 0 323.441 2.158 50 0 DEAARO CCOc1cccnc1N1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000952884003 792798863 /nfs/dbraw/zinc/79/88/63/792798863.db2.gz QWOXUWSZLRWHTD-JKSUJKDBSA-N 1 0 319.449 2.417 50 0 DEAARO CNC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000952962253 792806710 /nfs/dbraw/zinc/80/67/10/792806710.db2.gz CXHKUSFLUQYPCW-AWEZNQCLSA-N 1 0 317.433 2.414 50 0 DEAARO OC[C@H]1CCCCN1CC[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000952976024 792838031 /nfs/dbraw/zinc/83/80/31/792838031.db2.gz ZVZSJWVRYPUKQR-MRXNPFEDSA-N 1 0 315.417 2.278 50 0 DEAARO [NH3+]C1(C(=O)Nc2ccccc2OC[C@H]2CCCO2)CCCC1 ZINC000952986988 792868307 /nfs/dbraw/zinc/86/83/07/792868307.db2.gz DDAGFHNEVGKWQB-CYBMUJFWSA-N 1 0 304.390 2.454 50 0 DEAARO Cc1nc(-c2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)n[nH]1 ZINC000237677377 797040892 /nfs/dbraw/zinc/04/08/92/797040892.db2.gz RBIWGQSFOSREPQ-INIZCTEOSA-N 1 0 321.384 2.289 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNc2nnc(C)c3ccccc32)C1 ZINC001529099520 1070851776 /nfs/dbraw/zinc/85/17/76/1070851776.db2.gz ZVOYOIVKHLMVNJ-CQSZACIVSA-N 1 0 300.406 2.318 50 0 DEAARO COc1ccc(C[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)cc1F ZINC001529112212 1070863790 /nfs/dbraw/zinc/86/37/90/1070863790.db2.gz GOKGORAOEZXOMN-NVXWUHKLSA-N 1 0 316.376 2.265 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNc1nnc(-c2ccccc2)s1 ZINC001506396461 1061934647 /nfs/dbraw/zinc/93/46/47/1061934647.db2.gz AUHAPFOGHTUMJG-CQSZACIVSA-N 1 0 318.446 2.464 50 0 DEAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCN(c3cccc(O)c3)CC2)n1 ZINC001506402505 1061942721 /nfs/dbraw/zinc/94/27/21/1061942721.db2.gz NXAGBPFLABTYEV-MRXNPFEDSA-N 1 0 314.433 2.416 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)CCc2ccncc2)CC1 ZINC001506417698 1061961118 /nfs/dbraw/zinc/96/11/18/1061961118.db2.gz OKDOAZYVESTIOK-UHFFFAOYSA-N 1 0 313.405 2.116 50 0 DEAARO O=C(c1cccnc1)N1CCC([NH+]2CC(c3ccncc3)C2)CC1 ZINC001506420720 1061962920 /nfs/dbraw/zinc/96/29/20/1061962920.db2.gz PZNWKMKMSWGJOA-UHFFFAOYSA-N 1 0 322.412 2.181 50 0 DEAARO c1cn(CCC[NH+]2CCN(c3ncnc4ccccc43)CC2)cn1 ZINC001506426971 1061971964 /nfs/dbraw/zinc/97/19/64/1061971964.db2.gz QVIDLJMMCUWHEZ-UHFFFAOYSA-N 1 0 322.416 2.039 50 0 DEAARO Ic1ccccc1OCC[NH2+]C1CC1 ZINC000006095402 1077697290 /nfs/dbraw/zinc/69/72/90/1077697290.db2.gz DMRMQLPETKMFTM-UHFFFAOYSA-N 1 0 303.143 2.422 50 0 DEAARO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)[nH]n1 ZINC000821439088 1090598547 /nfs/dbraw/zinc/59/85/47/1090598547.db2.gz OXYIHUCUUMITOJ-GFCCVEGCSA-N 1 0 316.405 2.268 50 0 DEAARO O[C@@H]1CN(Cc2ccccc2)CC[N@H+](CCCn2cccc2)C1 ZINC000095512752 185376371 /nfs/dbraw/zinc/37/63/71/185376371.db2.gz YYTZJBGXVVAQHK-IBGZPJMESA-N 1 0 313.445 2.057 50 0 DEAARO CNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]C1 ZINC000077010623 185067397 /nfs/dbraw/zinc/06/73/97/185067397.db2.gz GIUXZWHUVYNGSD-SFHVURJKSA-N 1 0 313.401 2.308 50 0 DEAARO C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H]1[NH+](C)C ZINC000078896638 185124488 /nfs/dbraw/zinc/12/44/88/185124488.db2.gz LYVQQNOZMLTGGT-NVXWUHKLSA-N 1 0 316.445 2.143 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000078895613 185124613 /nfs/dbraw/zinc/12/46/13/185124613.db2.gz DOOLRUOYGMIHBE-GUYCJALGSA-N 1 0 320.481 2.107 50 0 DEAARO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000078947682 185133552 /nfs/dbraw/zinc/13/35/52/185133552.db2.gz WOJJQFZLHPCXRE-YOEHRIQHSA-N 1 0 320.408 2.458 50 0 DEAARO CC(C)C[C@@H](C(=O)NCC[NH+]1CCCCC1)N1CCCCC1=O ZINC000079069681 185153155 /nfs/dbraw/zinc/15/31/55/185153155.db2.gz XUBKRVFAWJUDMD-INIZCTEOSA-N 1 0 323.481 2.016 50 0 DEAARO O=C(NCC1CC[NH2+]CC1)c1sccc1Br ZINC000082614163 185191142 /nfs/dbraw/zinc/19/11/42/185191142.db2.gz INYJYVCEQDJCFP-UHFFFAOYSA-N 1 0 303.225 2.240 50 0 DEAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000088738916 185263572 /nfs/dbraw/zinc/26/35/72/185263572.db2.gz YPMFMGUBLZJKFP-HYVNUMGLSA-N 1 0 306.475 2.280 50 0 DEAARO C[NH+](C)[C@H]1CCCCN(Cc2cnc(-c3ccccn3)nc2)C1 ZINC000082099687 192356228 /nfs/dbraw/zinc/35/62/28/192356228.db2.gz BPZUDGNOIZOCHF-INIZCTEOSA-N 1 0 311.433 2.455 50 0 DEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NCC1(O)CCC1 ZINC000095399565 185353701 /nfs/dbraw/zinc/35/37/01/185353701.db2.gz WNBCJOSCAXLPAV-MRXNPFEDSA-N 1 0 317.433 2.038 50 0 DEAARO CNC(=O)c1cccc(NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000095401993 185354570 /nfs/dbraw/zinc/35/45/70/185354570.db2.gz QYFPEYXKPIIQHV-ZDUSSCGKSA-N 1 0 304.419 2.218 50 0 DEAARO CC1CCC([NH+]2CCC(NS(=O)(=O)CCCF)CC2)CC1 ZINC000095408803 185356591 /nfs/dbraw/zinc/35/65/91/185356591.db2.gz KHWFVUUBAKBZOL-UHFFFAOYSA-N 1 0 320.474 2.309 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc2nnc(C3CC3)n2n1 ZINC000095408836 185356612 /nfs/dbraw/zinc/35/66/12/185356612.db2.gz QNQNLGYQHGUBIM-CYBMUJFWSA-N 1 0 300.410 2.288 50 0 DEAARO COC(=O)c1oc([C@H](C)[NH+]2CCC(NC(C)=O)CC2)cc1C ZINC000095432494 185363763 /nfs/dbraw/zinc/36/37/63/185363763.db2.gz WVSOIJXRBBOXPB-NSHDSACASA-N 1 0 308.378 2.036 50 0 DEAARO CSC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000097017023 185397631 /nfs/dbraw/zinc/39/76/31/185397631.db2.gz OIDKATXVOUGXFU-ABAIWWIYSA-N 1 0 314.426 2.246 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000408519701 529902517 /nfs/dbraw/zinc/90/25/17/529902517.db2.gz SASXWIMZRSDXHZ-OAHLLOKOSA-N 1 0 301.434 2.066 50 0 DEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000106829735 185454312 /nfs/dbraw/zinc/45/43/12/185454312.db2.gz XFEVZUCYLKSXKN-CZUORRHYSA-N 1 0 311.385 2.353 50 0 DEAARO C[S@@](=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000083990358 539391329 /nfs/dbraw/zinc/39/13/29/539391329.db2.gz WFSDGYMYLSYCCG-PEBXRYMYSA-N 1 0 321.446 2.126 50 0 DEAARO COc1cccc([C@H](CO)[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000085328977 539399785 /nfs/dbraw/zinc/39/97/85/539399785.db2.gz UHECILDGPLPKEY-HTAPYJJXSA-N 1 0 319.426 2.256 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnns2)[C@H]1c1cccs1 ZINC000247203586 530061101 /nfs/dbraw/zinc/06/11/01/530061101.db2.gz BXXAXXMMXFJJJC-MFKMUULPSA-N 1 0 322.459 2.413 50 0 DEAARO COCC(=O)Nc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000057887708 190690535 /nfs/dbraw/zinc/69/05/35/190690535.db2.gz AFYDERRBRUFDTG-UHFFFAOYSA-N 1 0 312.373 2.408 50 0 DEAARO Cc1nc(/C=C\C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cs1 ZINC000103937790 539437508 /nfs/dbraw/zinc/43/75/08/539437508.db2.gz YWEGCOKBCQLTAG-XHPSBEMXSA-N 1 0 323.462 2.034 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000227187647 201795862 /nfs/dbraw/zinc/79/58/62/201795862.db2.gz PHWIAOYUBOJFAN-NWDGAFQWSA-N 1 0 316.854 2.396 50 0 DEAARO C[NH2+]CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000170048902 539613986 /nfs/dbraw/zinc/61/39/86/539613986.db2.gz WFWNFEXXYYFQSM-UHFFFAOYSA-N 1 0 324.446 2.092 50 0 DEAARO CCn1c(CC2CC[NH+](Cc3ccccc3)CC2)n[nH]c1=O ZINC000071552004 190989231 /nfs/dbraw/zinc/98/92/31/190989231.db2.gz JATFANBKXWAZDW-UHFFFAOYSA-N 1 0 300.406 2.046 50 0 DEAARO O=C1CCCN1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000071745212 191019779 /nfs/dbraw/zinc/01/97/79/191019779.db2.gz SYZHJPWEQOUQHH-UHFFFAOYSA-N 1 0 324.428 2.459 50 0 DEAARO CCn1ccnc1CN(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072150866 191055581 /nfs/dbraw/zinc/05/55/81/191055581.db2.gz DQHCBGBNAXWCNU-UHFFFAOYSA-N 1 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ZINC000057167658 354560030 /nfs/dbraw/zinc/56/00/30/354560030.db2.gz MGKYDNNYSVRBRD-UHFFFAOYSA-N 1 0 324.428 2.190 50 0 DEAARO O=C(N[C@@H]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066193187 354704150 /nfs/dbraw/zinc/70/41/50/354704150.db2.gz XCCUYLVMAPLPBX-MSOLQXFVSA-N 1 0 313.445 2.424 50 0 DEAARO COc1c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C)nn1C ZINC000075094559 355068249 /nfs/dbraw/zinc/06/82/49/355068249.db2.gz JUUOAJIJHRKTIY-ZDUSSCGKSA-N 1 0 320.437 2.330 50 0 DEAARO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)NCC1CCC1 ZINC000076108103 355126361 /nfs/dbraw/zinc/12/63/61/355126361.db2.gz CRKKRXWKDUHPPZ-QZTJIDSGSA-N 1 0 316.445 2.491 50 0 DEAARO CCCC[NH2+][C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000004956492 181178895 /nfs/dbraw/zinc/17/88/95/181178895.db2.gz SUTQGESBJYQYBD-HNNXBMFYSA-N 1 0 304.390 2.497 50 0 DEAARO Cn1cc(CCC[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cn1 ZINC000078890817 355282788 /nfs/dbraw/zinc/28/27/88/355282788.db2.gz SRUXDXKEIVOBHU-OAHLLOKOSA-N 1 0 315.421 2.493 50 0 DEAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000078898848 355284054 /nfs/dbraw/zinc/28/40/54/355284054.db2.gz QDRSYBZTBARSDX-HIFRSBDPSA-N 1 0 314.451 2.208 50 0 DEAARO CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1[NH+](C)C ZINC000089948492 355549392 /nfs/dbraw/zinc/54/93/92/355549392.db2.gz DNSBWNOWDTWGRV-GXTWGEPZSA-N 1 0 314.385 2.205 50 0 DEAARO c1cncc(OCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000077288200 191686818 /nfs/dbraw/zinc/68/68/18/191686818.db2.gz QYLDJFGIAAJXHT-HNNXBMFYSA-N 1 0 306.406 2.168 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)c3ccccc3)C2)nn1 ZINC000095351554 355696466 /nfs/dbraw/zinc/69/64/66/355696466.db2.gz ILSRLTNKFCKIDP-SJORKVTESA-N 1 0 312.417 2.077 50 0 DEAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1CCCC2=O ZINC000096028016 355698041 /nfs/dbraw/zinc/69/80/41/355698041.db2.gz AZUNXHDTUMSLKC-NWDGAFQWSA-N 1 0 307.390 2.039 50 0 DEAARO Cc1cn2c(n1)CC[C@H]([NH2+]C1CCN(c3nccs3)CC1)C2 ZINC000097237309 355704078 /nfs/dbraw/zinc/70/40/78/355704078.db2.gz PDUKSKVBHDWSBL-AWEZNQCLSA-N 1 0 317.462 2.221 50 0 DEAARO COc1c([C@H]2CCCN2[C@H](C)c2nnc(C)o2)c(C)nn1C ZINC000106908377 355726827 /nfs/dbraw/zinc/72/68/27/355726827.db2.gz UJRNXFMUMFAKAF-ZYHUDNBSSA-N 1 0 305.382 2.327 50 0 DEAARO COc1cc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1F ZINC000130497855 355842978 /nfs/dbraw/zinc/84/29/78/355842978.db2.gz PNAXYKMLWPGBTD-OLZOCXBDSA-N 1 0 323.412 2.488 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)Cc2ccccc2)CC1 ZINC000169751035 355980353 /nfs/dbraw/zinc/98/03/53/355980353.db2.gz PITCXTVDMBBAKD-QGZVFWFLSA-N 1 0 316.445 2.188 50 0 DEAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccon2)CC1 ZINC000183484594 356173819 /nfs/dbraw/zinc/17/38/19/356173819.db2.gz VBYXDLOKPCQMGY-LBPRGKRZSA-N 1 0 315.377 2.417 50 0 DEAARO O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000187587157 356213354 /nfs/dbraw/zinc/21/33/54/356213354.db2.gz VFKBOGJKQZGKMD-QBPKDAKJSA-N 1 0 321.465 2.118 50 0 DEAARO COc1ccc(OC)c(CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000195543177 356256170 /nfs/dbraw/zinc/25/61/70/356256170.db2.gz BGEYVNRPIDZXST-GXTWGEPZSA-N 1 0 318.417 2.322 50 0 DEAARO Cc1cc(C)n(CC2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000195560501 356257134 /nfs/dbraw/zinc/25/71/34/356257134.db2.gz IVJXFXAKSABSMJ-DLBZAZTESA-N 1 0 318.465 2.256 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000229478284 356282318 /nfs/dbraw/zinc/28/23/18/356282318.db2.gz HOSLHWVYLLVHRN-WBMJQRKESA-N 1 0 322.359 2.002 50 0 DEAARO CCOc1cc2c(cc1C[NH2+]CC1(O)CCOCC1)O[C@H](C)C2 ZINC000237073838 202144375 /nfs/dbraw/zinc/14/43/75/202144375.db2.gz JICDRCDTBAWUJY-CYBMUJFWSA-N 1 0 321.417 2.040 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc(OC)c1 ZINC000237208952 202190201 /nfs/dbraw/zinc/19/02/01/202190201.db2.gz BNIDIYYRBMQKTC-CDRJOZRASA-N 1 0 318.417 2.445 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 ZINC000237204192 202188567 /nfs/dbraw/zinc/18/85/67/202188567.db2.gz QEMJUGCJBVWTDF-NSHDSACASA-N 1 0 310.829 2.325 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000584886681 357325402 /nfs/dbraw/zinc/32/54/02/357325402.db2.gz OVHNSXXWZHAXOZ-CYBMUJFWSA-N 1 0 300.402 2.277 50 0 DEAARO Oc1cccc(CN2CC[NH+](C3CSCCSC3)CC2)c1 ZINC000584892371 357327791 /nfs/dbraw/zinc/32/77/91/357327791.db2.gz XCOJFYGKMBJGDE-UHFFFAOYSA-N 1 0 324.515 2.358 50 0 DEAARO C[NH+](C)[C@H](Cn1cnc2cccnc2c1=O)c1cccs1 ZINC000584899246 357330356 /nfs/dbraw/zinc/33/03/56/357330356.db2.gz KINMTAFPUCIHQK-GFCCVEGCSA-N 1 0 300.387 2.156 50 0 DEAARO CC[NH+]1CCC(Cn2cnc3ccc(OC)cc3c2=O)CC1 ZINC000584899899 357330995 /nfs/dbraw/zinc/33/09/95/357330995.db2.gz WECXLCXUDFKVML-UHFFFAOYSA-N 1 0 301.390 2.137 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000178579829 198891324 /nfs/dbraw/zinc/89/13/24/198891324.db2.gz DETCYHJNVLJPRJ-SNVBAGLBSA-N 1 0 305.378 2.370 50 0 DEAARO Cc1ccc([C@H](CNC(=O)c2cc(C)[nH]c(=O)c2)[NH+](C)C)cc1 ZINC000180177662 199126988 /nfs/dbraw/zinc/12/69/88/199126988.db2.gz METDQXQRMMRDFD-INIZCTEOSA-N 1 0 313.401 2.437 50 0 DEAARO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000237534029 202273680 /nfs/dbraw/zinc/27/36/80/202273680.db2.gz OKSYZMHGHHZVNG-LALPHHSUSA-N 1 0 308.809 2.238 50 0 DEAARO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[NH2+]CC1 ZINC000237651989 202318623 /nfs/dbraw/zinc/31/86/23/202318623.db2.gz XBBYPVXGJCHMPS-UHFFFAOYSA-N 1 0 319.405 2.227 50 0 DEAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000188414139 200242244 /nfs/dbraw/zinc/24/22/44/200242244.db2.gz KUWHQDIFVNWIQD-DDTOSNHZSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC([NH3+])CC1 ZINC000237682190 202327080 /nfs/dbraw/zinc/32/70/80/202327080.db2.gz OFLYGEHPNLXWPU-JTQLQIEISA-N 1 0 316.323 2.422 50 0 DEAARO Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)cn1 ZINC000237794993 202358401 /nfs/dbraw/zinc/35/84/01/202358401.db2.gz CXVALCKQPFAJHM-MRXNPFEDSA-N 1 0 311.385 2.142 50 0 DEAARO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000237858313 202372115 /nfs/dbraw/zinc/37/21/15/202372115.db2.gz SFOMPQMTKMIVHO-OCCSQVGLSA-N 1 0 306.381 2.323 50 0 DEAARO O=C(c1cc2ccccc2nc1N1CCCC1)N1CCC[NH2+]CC1 ZINC000237872936 202375068 /nfs/dbraw/zinc/37/50/68/202375068.db2.gz UKTNOQCMSIDDHD-UHFFFAOYSA-N 1 0 324.428 2.271 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000237893016 202382213 /nfs/dbraw/zinc/38/22/13/202382213.db2.gz MOHNWBYUDMGKDF-GXTWGEPZSA-N 1 0 323.387 2.131 50 0 DEAARO C[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc3C2)C(C)(C)CO1 ZINC000189150246 200356961 /nfs/dbraw/zinc/35/69/61/200356961.db2.gz KNPKRWIDSIOFFW-OAHLLOKOSA-N 1 0 316.445 2.461 50 0 DEAARO Cc1cccc(N2CCC([NH2+][C@@]3(C)CCS(=O)(=O)C3)CC2)c1 ZINC000670447782 540934634 /nfs/dbraw/zinc/93/46/34/540934634.db2.gz UHXLQZWISRIADQ-KRWDZBQOSA-N 1 0 322.474 2.131 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C(\C)Cc1ccccc1OC ZINC000606441030 361008620 /nfs/dbraw/zinc/00/86/20/361008620.db2.gz AJYYERCXWVFFRC-GRNBYLDVSA-N 1 0 302.418 2.394 50 0 DEAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000670447810 540934827 /nfs/dbraw/zinc/93/48/27/540934827.db2.gz QWDZDSMPOVDXEG-CQSZACIVSA-N 1 0 318.421 2.277 50 0 DEAARO Cc1nncn1CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000670449755 540935123 /nfs/dbraw/zinc/93/51/23/540935123.db2.gz DWFKUJSLQBKJPN-UHFFFAOYSA-N 1 0 304.369 2.269 50 0 DEAARO CC(C)CCOc1ccccc1CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000670449234 540935298 /nfs/dbraw/zinc/93/52/98/540935298.db2.gz DAJPUUHMNQSTJB-INIZCTEOSA-N 1 0 319.449 2.397 50 0 DEAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCc1ccc(F)cc1 ZINC000670474211 540938913 /nfs/dbraw/zinc/93/89/13/540938913.db2.gz PCDWBXSWCFJHSD-FVQHAEBGSA-N 1 0 320.408 2.126 50 0 DEAARO Cc1c(C(=O)N2CCC[C@H]([NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000195118670 201343422 /nfs/dbraw/zinc/34/34/22/201343422.db2.gz WKULSVDRDDSODR-ZDUSSCGKSA-N 1 0 318.808 2.397 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000195138689 201345736 /nfs/dbraw/zinc/34/57/36/201345736.db2.gz BEAUWXCTDNEYCD-OAHLLOKOSA-N 1 0 301.434 2.245 50 0 DEAARO CC[NH+](CC)CCN1C(=O)C(=O)c2c1c(OC)ccc2Cl ZINC000006760312 181384559 /nfs/dbraw/zinc/38/45/59/181384559.db2.gz SVMUBJBOGKNWAR-UHFFFAOYSA-N 1 0 310.781 2.220 50 0 DEAARO COCCn1ccnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091593053 193076299 /nfs/dbraw/zinc/07/62/99/193076299.db2.gz BGHRWAVYYMUNLM-UHFFFAOYSA-N 1 0 300.406 2.304 50 0 DEAARO COCC[NH+]1CCC(CN(C)c2nnc(C(C)(C)C)o2)CC1 ZINC000091656943 193086057 /nfs/dbraw/zinc/08/60/57/193086057.db2.gz ZEUSQQLKPZEBOT-UHFFFAOYSA-N 1 0 310.442 2.162 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1nncn1C1CCCCC1 ZINC000091781070 193107233 /nfs/dbraw/zinc/10/72/33/193107233.db2.gz RCWJKTGAIRZEIB-OAHLLOKOSA-N 1 0 319.453 2.274 50 0 DEAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000091808684 193111070 /nfs/dbraw/zinc/11/10/70/193111070.db2.gz CUHHAMAJLIOLPN-NSHDSACASA-N 1 0 324.808 2.119 50 0 DEAARO COCC[NH+]1CCC(CN(C)C(=O)c2cc(C(C)C)no2)CC1 ZINC000091860546 193119222 /nfs/dbraw/zinc/11/92/22/193119222.db2.gz BTPYRBCYUMNIGU-UHFFFAOYSA-N 1 0 323.437 2.228 50 0 DEAARO C[C@H](c1cccc(-c2cn(CCn3cccn3)nn2)c1)[NH+](C)C ZINC000091973674 193133631 /nfs/dbraw/zinc/13/36/31/193133631.db2.gz WBVNKBUANDXRLX-CQSZACIVSA-N 1 0 310.405 2.464 50 0 DEAARO O=c1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)[nH]c2ccc(F)cc12 ZINC000091964470 193133844 /nfs/dbraw/zinc/13/38/44/193133844.db2.gz VKTRDSSTCBMGQQ-RBUKOAKNSA-N 1 0 324.355 2.415 50 0 DEAARO COc1ccccc1-n1cc(CNc2cc(C)[nH+]c(N)n2)cn1 ZINC000091988370 193137021 /nfs/dbraw/zinc/13/70/21/193137021.db2.gz BYILHNARMCWADV-UHFFFAOYSA-N 1 0 310.361 2.174 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000092038368 193145236 /nfs/dbraw/zinc/14/52/36/193145236.db2.gz CYMPHRVIBPVYRK-KGLIPLIRSA-N 1 0 301.365 2.425 50 0 DEAARO CCc1ccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)cc1 ZINC000219226069 201550467 /nfs/dbraw/zinc/55/04/67/201550467.db2.gz NFVJLFJXXDODQG-UHFFFAOYSA-N 1 0 311.433 2.462 50 0 DEAARO Cn1c(COc2ccc3c(c2)CCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000219304625 201553948 /nfs/dbraw/zinc/55/39/48/201553948.db2.gz TVTMKBWLSSJRMK-GASCZTMLSA-N 1 0 312.417 2.478 50 0 DEAARO Fc1ccc(/C=C/CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000093817820 193311153 /nfs/dbraw/zinc/31/11/53/193311153.db2.gz INTUOHAYBWDOOS-WZHGYECESA-N 1 0 304.409 2.493 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)c1C ZINC000095364103 193432541 /nfs/dbraw/zinc/43/25/41/193432541.db2.gz MGWOGPSTRAAZGH-INIZCTEOSA-N 1 0 306.454 2.053 50 0 DEAARO Nc1ncccc1CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095372801 193435962 /nfs/dbraw/zinc/43/59/62/193435962.db2.gz XCWYHHHHJFYHRH-OAHLLOKOSA-N 1 0 310.401 2.061 50 0 DEAARO Cn1cc[n+](Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000007785163 181496411 /nfs/dbraw/zinc/49/64/11/181496411.db2.gz XTRAKRTVLKHPJM-UHFFFAOYSA-N 1 0 320.166 2.230 50 0 DEAARO O[C@H]1CCCC[C@H]1[NH+]1CCN(CCc2ccc(F)cc2)CC1 ZINC000095976578 193471443 /nfs/dbraw/zinc/47/14/43/193471443.db2.gz YAZLCRWULHUPKI-MSOLQXFVSA-N 1 0 306.425 2.289 50 0 DEAARO O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccn2c[nH+]cc2c1 ZINC000096501666 193673762 /nfs/dbraw/zinc/67/37/62/193673762.db2.gz HZFNUBXICVOLLY-UHFFFAOYSA-N 1 0 323.356 2.495 50 0 DEAARO CCNC(=S)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000016315633 182040212 /nfs/dbraw/zinc/04/02/12/182040212.db2.gz SSOPXGNMKCIVQJ-OAHLLOKOSA-N 1 0 307.463 2.316 50 0 DEAARO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000016580795 182051277 /nfs/dbraw/zinc/05/12/77/182051277.db2.gz IJKBOBOXKRFRQR-MRXNPFEDSA-N 1 0 306.406 2.063 50 0 DEAARO CSc1ncc(Cl)c(C(=O)N(C)C2CC[NH+](C)CC2)n1 ZINC000016527306 182048232 /nfs/dbraw/zinc/04/82/32/182048232.db2.gz IIBADIXFMBKBTO-UHFFFAOYSA-N 1 0 314.842 2.018 50 0 DEAARO Cc1cc(N2CCN(c3ccccc3)CC2)c(C(N)=O)c(C)[nH+]1 ZINC000019117306 182105447 /nfs/dbraw/zinc/10/54/47/182105447.db2.gz SDJGIYZSRNIJOF-UHFFFAOYSA-N 1 0 310.401 2.124 50 0 DEAARO O=C(c1ccccc1-n1cccn1)N1CC[NH+](CC2CCC2)CC1 ZINC000019595353 182132822 /nfs/dbraw/zinc/13/28/22/182132822.db2.gz LDYMYWNXKHAWQC-UHFFFAOYSA-N 1 0 324.428 2.430 50 0 DEAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000019800150 182151755 /nfs/dbraw/zinc/15/17/55/182151755.db2.gz AQUUNVCFQSQRCZ-HNNXBMFYSA-N 1 0 302.374 2.249 50 0 DEAARO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](CC)CC1 ZINC000020213384 182198139 /nfs/dbraw/zinc/19/81/39/182198139.db2.gz DMDDYPXTTQXRER-UHFFFAOYSA-N 1 0 303.450 2.387 50 0 DEAARO O=C(Cc1cccc(O)c1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020600812 182236666 /nfs/dbraw/zinc/23/66/66/182236666.db2.gz OWRONWWEJNQPGM-MRXNPFEDSA-N 1 0 302.418 2.269 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCN(C)CC2)c2ccc(F)cc12 ZINC000022918353 182341051 /nfs/dbraw/zinc/34/10/51/182341051.db2.gz MOBWUOZALFAGOH-INIZCTEOSA-N 1 0 319.424 2.006 50 0 DEAARO Cc1cccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)n1 ZINC000022932788 182342084 /nfs/dbraw/zinc/34/20/84/182342084.db2.gz YFISHJUKQFKCEG-SFHVURJKSA-N 1 0 303.450 2.201 50 0 DEAARO Cc1ccc(Cl)cc1NC(=O)NCCCN1CC[NH+](C)CC1 ZINC000022938168 182343114 /nfs/dbraw/zinc/34/31/14/182343114.db2.gz PVTDGYFMWGTULP-UHFFFAOYSA-N 1 0 324.856 2.407 50 0 DEAARO C[C@@H](CNc1ccccc1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000283297815 217546162 /nfs/dbraw/zinc/54/61/62/217546162.db2.gz OQAJZUBAQIUZGU-AWEZNQCLSA-N 1 0 301.434 2.478 50 0 DEAARO COc1cccc([C@H](CNc2cc(Cl)nc(N)n2)[NH+](C)C)c1 ZINC000024056489 182374054 /nfs/dbraw/zinc/37/40/54/182374054.db2.gz XVONKFWZRRYGQT-LBPRGKRZSA-N 1 0 321.812 2.436 50 0 DEAARO NC(=O)[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000026226079 182433996 /nfs/dbraw/zinc/43/39/96/182433996.db2.gz OJHHITAYJCLFQT-SFHVURJKSA-N 1 0 320.396 2.231 50 0 DEAARO CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793241 182492078 /nfs/dbraw/zinc/49/20/78/182492078.db2.gz JSTWONIQYWUMJY-OAHLLOKOSA-N 1 0 309.841 2.155 50 0 DEAARO Cn1cccc1[C@@H](CNC(=O)NCc1cccs1)[NH+](C)C ZINC000038489726 183000457 /nfs/dbraw/zinc/00/04/57/183000457.db2.gz JJCALFFNBJBIKO-CQSZACIVSA-N 1 0 306.435 2.189 50 0 DEAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N(C)C)cc1OC ZINC000040554446 183101300 /nfs/dbraw/zinc/10/13/00/183101300.db2.gz PHJVZHGUYARWRN-CQSZACIVSA-N 1 0 306.406 2.319 50 0 DEAARO c1sc(-c2ncccn2)nc1CN1CC[NH+](CC2CC2)CC1 ZINC000040555415 183101490 /nfs/dbraw/zinc/10/14/90/183101490.db2.gz UQCPDPYWHCJFMB-UHFFFAOYSA-N 1 0 315.446 2.128 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(Br)s1 ZINC000493454804 249298158 /nfs/dbraw/zinc/29/81/58/249298158.db2.gz CCSFOJMARPLATG-RNEXMXFGSA-N 1 0 315.236 2.474 50 0 DEAARO Cc1nc(CCNC(=O)NCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000044967722 183468658 /nfs/dbraw/zinc/46/86/58/183468658.db2.gz QKELASBISZPUKK-GFCCVEGCSA-N 1 0 310.467 2.168 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2ccccc2[nH]1 ZINC000048286108 183638023 /nfs/dbraw/zinc/63/80/23/183638023.db2.gz QMAYEMXFGFBXLU-UHFFFAOYSA-N 1 0 301.390 2.010 50 0 DEAARO COCC[N@@H+]1CCN(CCCOc2cccc(C)c2)C[C@@H]1C ZINC000106786639 194252237 /nfs/dbraw/zinc/25/22/37/194252237.db2.gz GOQHCOXKVMPREL-KRWDZBQOSA-N 1 0 306.450 2.416 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc(C)nc2)cn1 ZINC000058162379 184082875 /nfs/dbraw/zinc/08/28/75/184082875.db2.gz KZXSVPRYSRFRLM-UHFFFAOYSA-N 1 0 301.394 2.181 50 0 DEAARO C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058173874 184084586 /nfs/dbraw/zinc/08/45/86/184084586.db2.gz ZAIWSMAXXPPCDX-NWDGAFQWSA-N 1 0 308.809 2.460 50 0 DEAARO CC[N@H+](CCN1CCCC1=O)Cc1ccc(OC)c(OC)c1 ZINC000058162324 184082483 /nfs/dbraw/zinc/08/24/83/184082483.db2.gz BAEXBIXOQFNRJU-UHFFFAOYSA-N 1 0 306.406 2.148 50 0 DEAARO COc1cccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000058356610 184108109 /nfs/dbraw/zinc/10/81/09/184108109.db2.gz DBWDKSXCXQGDIV-MRXNPFEDSA-N 1 0 302.418 2.325 50 0 DEAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058250813 184095397 /nfs/dbraw/zinc/09/53/97/184095397.db2.gz ANIGHRGJFVSOIG-QGZVFWFLSA-N 1 0 312.417 2.419 50 0 DEAARO CC1=NN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)CC1 ZINC000058283701 184100323 /nfs/dbraw/zinc/10/03/23/184100323.db2.gz DFPYGPGGUSJKHM-HNNXBMFYSA-N 1 0 314.433 2.487 50 0 DEAARO COc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(C)nn1C ZINC000058305240 184103376 /nfs/dbraw/zinc/10/33/76/184103376.db2.gz VLCODDTXRLLNDL-INIZCTEOSA-N 1 0 314.433 2.101 50 0 DEAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000058344091 184107061 /nfs/dbraw/zinc/10/70/61/184107061.db2.gz KFCFGYJFAYVEQB-HNNXBMFYSA-N 1 0 312.417 2.332 50 0 DEAARO Cc1ccc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000058416392 184115317 /nfs/dbraw/zinc/11/53/17/184115317.db2.gz KLDQLZSAMLKXSH-UHFFFAOYSA-N 1 0 320.462 2.225 50 0 DEAARO O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000060113249 184144514 /nfs/dbraw/zinc/14/45/14/184144514.db2.gz AGDWPAORVOSKEC-MRXNPFEDSA-N 1 0 308.447 2.077 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000269080738 207226732 /nfs/dbraw/zinc/22/67/32/207226732.db2.gz HUTWYHWHAIAUNI-IAGOWNOFSA-N 1 0 302.418 2.101 50 0 DEAARO CC(C)[C@H](Cn1ccnc1)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000065385293 184333126 /nfs/dbraw/zinc/33/31/26/184333126.db2.gz QVTOUKGFAWFFBR-LBPRGKRZSA-N 1 0 301.350 2.341 50 0 DEAARO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000269169558 207291664 /nfs/dbraw/zinc/29/16/64/207291664.db2.gz SPCFZIZDPIKYSI-UWVGGRQHSA-N 1 0 300.761 2.054 50 0 DEAARO CC(C)C[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000065476440 184351728 /nfs/dbraw/zinc/35/17/28/184351728.db2.gz XMBKVYQJOAUTLO-UHFFFAOYSA-N 1 0 306.454 2.488 50 0 DEAARO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000065405508 184338038 /nfs/dbraw/zinc/33/80/38/184338038.db2.gz XCDZZMSFLRYJDZ-GFCCVEGCSA-N 1 0 323.824 2.045 50 0 DEAARO Cc1cccnc1C[C@H](C)Nc1nc(C)nc2c1CC[NH2+]CC2 ZINC000065535085 184362216 /nfs/dbraw/zinc/36/22/16/184362216.db2.gz BSXWTGGVUXZOLM-ZDUSSCGKSA-N 1 0 311.433 2.220 50 0 DEAARO COCCNC(=O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000065554322 184365481 /nfs/dbraw/zinc/36/54/81/184365481.db2.gz KEIFZUUEWFOBDA-UHFFFAOYSA-N 1 0 318.339 2.293 50 0 DEAARO CCc1nnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000065499050 184355422 /nfs/dbraw/zinc/35/54/22/184355422.db2.gz YWTHFFYOLNOJQS-CYBMUJFWSA-N 1 0 320.437 2.293 50 0 DEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc(F)c1 ZINC000065612778 184373653 /nfs/dbraw/zinc/37/36/53/184373653.db2.gz ZIRSXMUHTHINPN-HNNXBMFYSA-N 1 0 312.360 2.148 50 0 DEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(F)c1 ZINC000065612782 184373807 /nfs/dbraw/zinc/37/38/07/184373807.db2.gz ZIRSXMUHTHINPN-OAHLLOKOSA-N 1 0 312.360 2.148 50 0 DEAARO Cc1ccc([C@@H](CNc2cnn(C)c(=O)c2Cl)[NH+](C)C)cc1 ZINC000065624175 184375220 /nfs/dbraw/zinc/37/52/20/184375220.db2.gz SZPYPRRLJWXKHQ-CQSZACIVSA-N 1 0 320.824 2.457 50 0 DEAARO COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1C ZINC000065626567 184376047 /nfs/dbraw/zinc/37/60/47/184376047.db2.gz FVRKHZWDRZRDTL-MRXNPFEDSA-N 1 0 320.433 2.186 50 0 DEAARO O=C1[C@@H]2CCCN2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000253630300 284985374 /nfs/dbraw/zinc/98/53/74/284985374.db2.gz 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NC(=O)NC(=O)CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025458902 401834082 /nfs/dbraw/zinc/83/40/82/401834082.db2.gz JAQBAKZRLQANFP-KRWDZBQOSA-N 1 0 323.396 2.219 50 0 DEAARO COc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c(OC)c1 ZINC000027350351 401845017 /nfs/dbraw/zinc/84/50/17/401845017.db2.gz JDUKCWVUUYOAIT-UHFFFAOYSA-N 1 0 314.385 2.435 50 0 DEAARO C[N@H+](CCOc1ccccc1F)Cc1ccc(C(N)=O)cc1 ZINC000027374016 401845137 /nfs/dbraw/zinc/84/51/37/401845137.db2.gz HEOSOAJYKSMWCE-UHFFFAOYSA-N 1 0 302.349 2.435 50 0 DEAARO CC1(C)NC(=O)N(CC[N@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000028081942 401849750 /nfs/dbraw/zinc/84/97/50/401849750.db2.gz KZCDGUUFMZIDSM-UHFFFAOYSA-N 1 0 319.380 2.121 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCN(C)CC2)c2ccc(C)cc12 ZINC000028297079 401851221 /nfs/dbraw/zinc/85/12/21/401851221.db2.gz CFWSESJFJBWWHC-KRWDZBQOSA-N 1 0 315.461 2.175 50 0 DEAARO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCc2ccccc21 ZINC000029483070 401856906 /nfs/dbraw/zinc/85/69/06/401856906.db2.gz 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ZINC000044442819 401942840 /nfs/dbraw/zinc/94/28/40/401942840.db2.gz VYDIMJFBKHIGPO-UHFFFAOYSA-N 1 0 303.406 2.181 50 0 DEAARO COc1ccccc1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000089473631 401948673 /nfs/dbraw/zinc/94/86/73/401948673.db2.gz AEIYIBRPTATAQG-INIZCTEOSA-N 1 0 317.433 2.117 50 0 DEAARO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCc1ccc(F)cc1 ZINC000089478459 401949640 /nfs/dbraw/zinc/94/96/40/401949640.db2.gz KJVLZLGKGVVQGR-JTQLQIEISA-N 1 0 306.303 2.367 50 0 DEAARO O=C(Cc1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000095971620 402039015 /nfs/dbraw/zinc/03/90/15/402039015.db2.gz ZJMVTSSUOPKZET-UHFFFAOYSA-N 1 0 308.372 2.498 50 0 DEAARO O=C1CNC(=O)N1CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000095985909 402042755 /nfs/dbraw/zinc/04/27/55/402042755.db2.gz VNQLOXPLAMWFOI-UHFFFAOYSA-N 1 0 321.808 2.251 50 0 DEAARO CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000095996285 402044895 /nfs/dbraw/zinc/04/48/95/402044895.db2.gz IYHYLFRRTIHXHO-JKSUJKDBSA-N 1 0 306.406 2.113 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3ccc(F)cc3F)c2N)CC1 ZINC000096282007 402076258 /nfs/dbraw/zinc/07/62/58/402076258.db2.gz CIAIXDCUGCTQOT-UHFFFAOYSA-N 1 0 319.359 2.146 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1csnn1 ZINC000096419361 402081980 /nfs/dbraw/zinc/08/19/80/402081980.db2.gz VJBWTBOSORLION-ZDUSSCGKSA-N 1 0 316.430 2.275 50 0 DEAARO C[C@](CO)([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000096420058 402082313 /nfs/dbraw/zinc/08/23/13/402082313.db2.gz BYSSDDZDBJBFRO-GXTWGEPZSA-N 1 0 322.371 2.071 50 0 DEAARO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCOC3)cc2)C1 ZINC000096443934 402088432 /nfs/dbraw/zinc/08/84/32/402088432.db2.gz JXKLOFNQMLSOBQ-LSDHHAIUSA-N 1 0 318.417 2.382 50 0 DEAARO O=C(Nc1c[nH]ccc1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057170811 402092780 /nfs/dbraw/zinc/09/27/80/402092780.db2.gz IEDKERYFUOMTIV-HNNXBMFYSA-N 1 0 311.385 2.226 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(-n2cnnn2)cc1 ZINC000096476521 402093540 /nfs/dbraw/zinc/09/35/40/402093540.db2.gz NPGHRTOOFBDTEH-CXAGYDPISA-N 1 0 321.384 2.317 50 0 DEAARO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccon3)c2)CC1 ZINC000096489180 402095664 /nfs/dbraw/zinc/09/56/64/402095664.db2.gz KUQFSILDMZSASE-UHFFFAOYSA-N 1 0 314.389 2.457 50 0 DEAARO COC(=O)CN1CCC[N@H+](C/C=C/c2ccc(F)cc2)CC1 ZINC000096489961 402095745 /nfs/dbraw/zinc/09/57/45/402095745.db2.gz ZVVBBLOTOAIYAK-DUXPYHPUSA-N 1 0 306.381 2.020 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](c2nc(C)no2)C(C)C)CC1 ZINC000096494295 402096519 /nfs/dbraw/zinc/09/65/19/402096519.db2.gz PZZWRTGLTBOSLZ-ZDUSSCGKSA-N 1 0 310.398 2.286 50 0 DEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000096494395 402096622 /nfs/dbraw/zinc/09/66/22/402096622.db2.gz AKSIWQAFLHCOEM-MRXNPFEDSA-N 1 0 320.400 2.235 50 0 DEAARO CCc1c(C)[nH+]c2ccccc2c1N1CCN2C(=O)NC[C@@H]2C1 ZINC000097046803 402102548 /nfs/dbraw/zinc/10/25/48/402102548.db2.gz KTNSMUBILUOJCL-CYBMUJFWSA-N 1 0 310.401 2.319 50 0 DEAARO COc1ccc([C@@H](NC(=O)[C@H](C)[NH+](C)C)C(F)(F)F)cc1 ZINC000097080008 402104607 /nfs/dbraw/zinc/10/46/07/402104607.db2.gz VOEOUOHNPMRIEM-JOYOIKCWSA-N 1 0 304.312 2.365 50 0 DEAARO C[NH+](C)CCNC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000097107752 402108097 /nfs/dbraw/zinc/10/80/97/402108097.db2.gz YQCJGDBASWWGSJ-UHFFFAOYSA-N 1 0 304.419 2.417 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000097160001 402112534 /nfs/dbraw/zinc/11/25/34/402112534.db2.gz SZVMYWKQCWVBBN-HOCLYGCPSA-N 1 0 303.406 2.255 50 0 DEAARO CCCOc1ccc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cc1OC ZINC000097162405 402112835 /nfs/dbraw/zinc/11/28/35/402112835.db2.gz ALXHAVWHNKDBLR-HNNXBMFYSA-N 1 0 308.422 2.474 50 0 DEAARO Cc1nn(C)c2nc(N3CCC[C@]4(CC[N@H+](C)C4)C3)sc12 ZINC000096164859 402064007 /nfs/dbraw/zinc/06/40/07/402064007.db2.gz KNMGDPMQRJCQNH-OAHLLOKOSA-N 1 0 305.451 2.260 50 0 DEAARO Cc1nc(COc2ccc(C[NH2+]C3CCC(O)CC3)cc2)no1 ZINC000065529191 402125542 /nfs/dbraw/zinc/12/55/42/402125542.db2.gz LWXHFVWDRYJVCG-UHFFFAOYSA-N 1 0 317.389 2.350 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H]1COc3ccccc3C1)CN2 ZINC000065517679 402125683 /nfs/dbraw/zinc/12/56/83/402125683.db2.gz XPZAPOUUZWOCOT-LSDHHAIUSA-N 1 0 312.417 2.074 50 0 DEAARO Cc1ccc(F)cc1CNC(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000097480146 402125806 /nfs/dbraw/zinc/12/58/06/402125806.db2.gz CXEVCTATLHCLML-MRXNPFEDSA-N 1 0 308.397 2.250 50 0 DEAARO Cc1cccc([C@H](NC(=O)NCC[NH+](C)C)C(F)(F)F)c1 ZINC000153103772 402127206 /nfs/dbraw/zinc/12/72/06/402127206.db2.gz WPYMOOAHGBUQSK-LBPRGKRZSA-N 1 0 303.328 2.459 50 0 DEAARO Cc1cc(-n2nc(-c3ccncc3)nc2[C@@H]2COCCO2)cc[nH+]1 ZINC000097610097 402128541 /nfs/dbraw/zinc/12/85/41/402128541.db2.gz LUBQPDWUAAODAK-HNNXBMFYSA-N 1 0 323.356 2.121 50 0 DEAARO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000067010457 402149859 /nfs/dbraw/zinc/14/98/59/402149859.db2.gz FRNPEYIRLNBPBI-ZDUSSCGKSA-N 1 0 304.415 2.446 50 0 DEAARO CCn1nc(C)cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000067920345 402178531 /nfs/dbraw/zinc/17/85/31/402178531.db2.gz 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402171115 /nfs/dbraw/zinc/17/11/15/402171115.db2.gz FFWRFCZXOCHSBG-UHFFFAOYSA-N 1 0 312.369 2.424 50 0 DEAARO CCc1ccccc1CN1C[C@H]([NH3+])C[C@H]1C(=O)N(CC)CC ZINC000067773376 402172546 /nfs/dbraw/zinc/17/25/46/402172546.db2.gz AJQCPZCHLQCEHA-SJORKVTESA-N 1 0 303.450 2.019 50 0 DEAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000067843024 402174620 /nfs/dbraw/zinc/17/46/20/402174620.db2.gz KVSXHBGLLSNKOF-AWEZNQCLSA-N 1 0 315.348 2.117 50 0 DEAARO c1cnn(-c2cncc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000069138123 402214311 /nfs/dbraw/zinc/21/43/11/402214311.db2.gz CSCVSBFQGMQMPT-INIZCTEOSA-N 1 0 320.400 2.349 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ccccc1Br ZINC000125230414 402220195 /nfs/dbraw/zinc/22/01/95/402220195.db2.gz YJJKGVAQEJDKIS-LLVKDONJSA-N 1 0 311.223 2.202 50 0 DEAARO COc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1OC ZINC000069416108 402222162 /nfs/dbraw/zinc/22/21/62/402222162.db2.gz HAEVQIPGCOTWIZ-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO Cc1noc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)n1 ZINC000069490104 402226547 /nfs/dbraw/zinc/22/65/47/402226547.db2.gz TUAXHEFIZFWXEL-LLVKDONJSA-N 1 0 309.414 2.003 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069520972 402228941 /nfs/dbraw/zinc/22/89/41/402228941.db2.gz ANCCZKCZBTZQHA-OAHLLOKOSA-N 1 0 322.416 2.185 50 0 DEAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069536507 402230344 /nfs/dbraw/zinc/23/03/44/402230344.db2.gz DFCQSUGNJLRBPV-DLBZAZTESA-N 1 0 318.465 2.055 50 0 DEAARO COc1ccccc1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069597418 402233864 /nfs/dbraw/zinc/23/38/64/402233864.db2.gz FMQBPUALWPDSQX-HOTGVXAUSA-N 1 0 302.418 2.323 50 0 DEAARO CCCc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000069665618 402237629 /nfs/dbraw/zinc/23/76/29/402237629.db2.gz WAJOUGMPCKWJPQ-OAHLLOKOSA-N 1 0 303.450 2.005 50 0 DEAARO c1ccc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1 ZINC000069843593 402247075 /nfs/dbraw/zinc/24/70/75/402247075.db2.gz BSCXMVALAATERE-HNNXBMFYSA-N 1 0 313.405 2.096 50 0 DEAARO CC[C@H]1CN(CCOc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000069842214 402247198 /nfs/dbraw/zinc/24/71/98/402247198.db2.gz PNBALUVCNSOFLG-INIZCTEOSA-N 1 0 310.413 2.247 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1c(C)noc1C ZINC000069877686 402249035 /nfs/dbraw/zinc/24/90/35/402249035.db2.gz ORONLJOENCWBPP-CVEARBPZSA-N 1 0 305.422 2.309 50 0 DEAARO CCCCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000069900488 402250510 /nfs/dbraw/zinc/25/05/10/402250510.db2.gz JMYGMROGLVMDHQ-UHFFFAOYSA-N 1 0 311.470 2.321 50 0 DEAARO COc1cccc([C@@H](C)N2CC[NH+](CCn3cccn3)CC2)c1 ZINC000069918515 402251253 /nfs/dbraw/zinc/25/12/53/402251253.db2.gz KZXVHYFSJRPJSC-MRXNPFEDSA-N 1 0 314.433 2.271 50 0 DEAARO Cc1ccc(-c2cc(CN3CCO[C@H](C[NH+](C)C)C3)on2)cc1 ZINC000069951066 402252339 /nfs/dbraw/zinc/25/23/39/402252339.db2.gz HGCXDNCYEBKUPX-QGZVFWFLSA-N 1 0 315.417 2.412 50 0 DEAARO C[C@H](O)C[NH+]1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000069949761 402252684 /nfs/dbraw/zinc/25/26/84/402252684.db2.gz PRJDAFFANBVGJQ-ZDUSSCGKSA-N 1 0 319.836 2.387 50 0 DEAARO Cn1c(=O)c2sccc2nc1SC[C@@H]1CCC[N@H+](C)C1 ZINC000070021367 402255687 /nfs/dbraw/zinc/25/56/87/402255687.db2.gz ULTWOOYTXJRVLM-SNVBAGLBSA-N 1 0 309.460 2.429 50 0 DEAARO CCCN(C(=O)c1ccc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000071315065 402272572 /nfs/dbraw/zinc/27/25/72/402272572.db2.gz QIYUVAUPVPQIDW-LLVKDONJSA-N 1 0 312.211 2.058 50 0 DEAARO C[NH+](C)C[C@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1 ZINC000225791156 402323936 /nfs/dbraw/zinc/32/39/36/402323936.db2.gz TWIJKLDTEIEQGO-AWEZNQCLSA-N 1 0 304.781 2.163 50 0 DEAARO CCN1CCc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc21 ZINC000071795662 402278039 /nfs/dbraw/zinc/27/80/39/402278039.db2.gz SVNMISHJGWOCTM-UHFFFAOYSA-N 1 0 302.422 2.285 50 0 DEAARO COCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000215436572 402283210 /nfs/dbraw/zinc/28/32/10/402283210.db2.gz HOZBZHXGRNRGPB-CVEARBPZSA-N 1 0 320.433 2.188 50 0 DEAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)C[C@H]3COCCO3)c2)n1 ZINC000216234473 402287930 /nfs/dbraw/zinc/28/79/30/402287930.db2.gz NJQAKLJTZQRDHZ-SFHVURJKSA-N 1 0 315.417 2.336 50 0 DEAARO COc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000071857216 402288975 /nfs/dbraw/zinc/28/89/75/402288975.db2.gz GBCHXBVHJQUXPD-HNNXBMFYSA-N 1 0 320.437 2.010 50 0 DEAARO COc1cccc(CNc2cc(C3CC([NH3+])C3)ncn2)c1OC ZINC000219135596 402297682 /nfs/dbraw/zinc/29/76/82/402297682.db2.gz CJBXAQLOSVWYGK-UHFFFAOYSA-N 1 0 314.389 2.311 50 0 DEAARO CN(Cc1nc2ccccc2[nH]1)C(=O)C[N@H+](C)C1CCCC1 ZINC000221284257 402303232 /nfs/dbraw/zinc/30/32/32/402303232.db2.gz PWUUBEOBAJAVAR-UHFFFAOYSA-N 1 0 300.406 2.396 50 0 DEAARO C/C(=C/c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000221989648 402305678 /nfs/dbraw/zinc/30/56/78/402305678.db2.gz JRERFFKXMBOSBJ-IVOILVROSA-N 1 0 321.852 2.105 50 0 DEAARO O=C(C1CCC(O)CC1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000225403570 402316491 /nfs/dbraw/zinc/31/64/91/402316491.db2.gz MJSBSVWVVSJHAX-CGZBRXJRSA-N 1 0 308.466 2.405 50 0 DEAARO OC[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000225446959 402317613 /nfs/dbraw/zinc/31/76/13/402317613.db2.gz UHRPIHLCGKFQPH-CVEARBPZSA-N 1 0 324.424 2.470 50 0 DEAARO CCN(CC)Cc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000225504404 402319407 /nfs/dbraw/zinc/31/94/07/402319407.db2.gz DSWPWPBCNHQWSG-CYBMUJFWSA-N 1 0 314.389 2.432 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1cccc(F)c1 ZINC000229308425 402342029 /nfs/dbraw/zinc/34/20/29/402342029.db2.gz MHCRWNOFJBASTJ-SLEUVZQESA-N 1 0 314.426 2.146 50 0 DEAARO CC(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000229577640 402344081 /nfs/dbraw/zinc/34/40/81/402344081.db2.gz KVTVSKSNLCMRAN-HZPDHXFCSA-N 1 0 323.481 2.014 50 0 DEAARO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000229793841 402344434 /nfs/dbraw/zinc/34/44/34/402344434.db2.gz AXWPUSWNEJDLIY-GVDBMIGSSA-N 1 0 308.466 2.382 50 0 DEAARO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1 ZINC000230108426 402347301 /nfs/dbraw/zinc/34/73/01/402347301.db2.gz KOMVZBMAGYHRJW-GUTXKFCHSA-N 1 0 313.825 2.091 50 0 DEAARO Cc1nnc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000230104071 402347357 /nfs/dbraw/zinc/34/73/57/402347357.db2.gz KDENVPMVJPQXBT-STQMWFEESA-N 1 0 302.403 2.130 50 0 DEAARO O=C(CN1CCO[C@@H]2CCC[C@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000230082095 402347413 /nfs/dbraw/zinc/34/74/13/402347413.db2.gz ZJIAWNKMLJHXNV-JHJVBQTASA-N 1 0 320.355 2.041 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)s1 ZINC000236713795 402376817 /nfs/dbraw/zinc/37/68/17/402376817.db2.gz YDGVELVSAQJSGL-JTQLQIEISA-N 1 0 305.241 2.452 50 0 DEAARO NC(=O)NC(=O)CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185788946 402377221 /nfs/dbraw/zinc/37/72/21/402377221.db2.gz HRXCPCKIDOVIEJ-UHFFFAOYSA-N 1 0 309.797 2.104 50 0 DEAARO COc1ccccc1OCC[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000244787730 402449346 /nfs/dbraw/zinc/44/93/46/402449346.db2.gz QCPOHOZMFAPKAC-AWEZNQCLSA-N 1 0 301.390 2.427 50 0 DEAARO CN(C(=O)CSCC[NH+]1CCCC1)C1Cc2ccccc2C1 ZINC000244795816 402449506 /nfs/dbraw/zinc/44/95/06/402449506.db2.gz ROFNPOBFFACBEI-UHFFFAOYSA-N 1 0 318.486 2.441 50 0 DEAARO O=C(CC1CC[NH2+]CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000238148960 402439813 /nfs/dbraw/zinc/43/98/13/402439813.db2.gz ODQFSJGFTRNSTR-UHFFFAOYSA-N 1 0 301.390 2.142 50 0 DEAARO Cc1cc(NC(=O)c2cccnc2)cc(N2CC[NH+](C)CC2)c1 ZINC000241383514 402443624 /nfs/dbraw/zinc/44/36/24/402443624.db2.gz MVXOKYGCKJSUIQ-UHFFFAOYSA-N 1 0 310.401 2.394 50 0 DEAARO CCOCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000245344155 402453219 /nfs/dbraw/zinc/45/32/19/402453219.db2.gz XWDWXNZQJZEXRQ-QAPCUYQASA-N 1 0 320.433 2.231 50 0 DEAARO COc1cccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000169781750 402502166 /nfs/dbraw/zinc/50/21/66/402502166.db2.gz ZJTMHRPFMHOZFM-INIZCTEOSA-N 1 0 317.433 2.226 50 0 DEAARO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccncn1 ZINC000170089819 402503435 /nfs/dbraw/zinc/50/34/35/402503435.db2.gz FATZSELSHIILNC-UHFFFAOYSA-N 1 0 305.407 2.134 50 0 DEAARO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000170593052 402506146 /nfs/dbraw/zinc/50/61/46/402506146.db2.gz IZYRHNRDVHITMB-SWLSCSKDSA-N 1 0 314.426 2.148 50 0 DEAARO CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246851375 402547358 /nfs/dbraw/zinc/54/73/58/402547358.db2.gz VANBOLJVQDZTOS-GJZGRUSLSA-N 1 0 318.417 2.018 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000246901413 402549106 /nfs/dbraw/zinc/54/91/06/402549106.db2.gz JRPYAEUXZJXMQC-GDLCADMTSA-N 1 0 323.234 2.360 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000179000383 402563724 /nfs/dbraw/zinc/56/37/24/402563724.db2.gz YGYYHTQWJYHFKG-LBPRGKRZSA-N 1 0 318.808 2.207 50 0 DEAARO Cn1cnc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000179116834 402573558 /nfs/dbraw/zinc/57/35/58/402573558.db2.gz OVEISKSMPDTQTM-UHFFFAOYSA-N 1 0 312.417 2.062 50 0 DEAARO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000178674123 402524602 /nfs/dbraw/zinc/52/46/02/402524602.db2.gz 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ZINC000191363420 402664041 /nfs/dbraw/zinc/66/40/41/402664041.db2.gz OCHXTYQYXXLUQJ-SJLPKXTDSA-N 1 0 316.445 2.283 50 0 DEAARO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000253432244 402667047 /nfs/dbraw/zinc/66/70/47/402667047.db2.gz JKYQUUIPCNGNCC-SOUVJXGZSA-N 1 0 318.417 2.192 50 0 DEAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H]2c2ccccc2C)c(=O)[nH]1 ZINC000253536678 402667940 /nfs/dbraw/zinc/66/79/40/402667940.db2.gz KJUHUKPLMSTZHY-MRXNPFEDSA-N 1 0 313.401 2.403 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000255311417 402683222 /nfs/dbraw/zinc/68/32/22/402683222.db2.gz WPZUTYYSPMQEKC-FMFIFOJESA-N 1 0 324.856 2.464 50 0 DEAARO COc1ccccc1C/C(C)=C\C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000255546825 402690472 /nfs/dbraw/zinc/69/04/72/402690472.db2.gz OPPOSUJSARBPEZ-SWLLGXJJSA-N 1 0 302.418 2.393 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccc(OCc3cccnc3)cc2)C1 ZINC000255559991 402690821 /nfs/dbraw/zinc/69/08/21/402690821.db2.gz QOINPROEXUSJIM-AFCDSYGPSA-N 1 0 323.396 2.233 50 0 DEAARO c1cc(C[N@H+]2CC[C@H](Cn3cc(COCC4CC4)nn3)C2)co1 ZINC000257177480 402700682 /nfs/dbraw/zinc/70/06/82/402700682.db2.gz BDYRIGJONPBCPN-HNNXBMFYSA-N 1 0 316.405 2.320 50 0 DEAARO COC[C@]1(O)CCOC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000257176169 402700804 /nfs/dbraw/zinc/70/08/04/402700804.db2.gz RYLSQLWSUBATEO-KRWDZBQOSA-N 1 0 323.408 2.348 50 0 DEAARO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cs3)C2=O)n1 ZINC000193129433 402765912 /nfs/dbraw/zinc/76/59/12/402765912.db2.gz GRGKMSXDFPUCBI-GFCCVEGCSA-N 1 0 324.837 2.420 50 0 DEAARO CSc1ccccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175860750 402839207 /nfs/dbraw/zinc/83/92/07/402839207.db2.gz HTRCLUSJIYXQTK-UHFFFAOYSA-N 1 0 320.458 2.345 50 0 DEAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)o1 ZINC000278803931 402873033 /nfs/dbraw/zinc/87/30/33/402873033.db2.gz XWPFKDUKERZXJR-QCPWZWHMSA-N 1 0 315.417 2.344 50 0 DEAARO CC(C)(C)[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CCO1 ZINC000279309738 402929268 /nfs/dbraw/zinc/92/92/68/402929268.db2.gz BPCNUVLEGRABBG-ZDUSSCGKSA-N 1 0 322.478 2.281 50 0 DEAARO COCCC(=O)N1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000330694170 403304925 /nfs/dbraw/zinc/30/49/25/403304925.db2.gz YUDJUDPIHSLODD-UHFFFAOYSA-N 1 0 300.786 2.050 50 0 DEAARO O=C(Cc1ccc(O)cc1)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000299756922 403566476 /nfs/dbraw/zinc/56/64/76/403566476.db2.gz KCAIIUNXXUNBEV-OAHLLOKOSA-N 1 0 302.418 2.315 50 0 DEAARO Cc1ncn(C)c1C(=O)NC[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000299757525 403566797 /nfs/dbraw/zinc/56/67/97/403566797.db2.gz IYTLUYRQDWNXQB-CQSZACIVSA-N 1 0 304.438 2.113 50 0 DEAARO CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000299765042 403569529 /nfs/dbraw/zinc/56/95/29/403569529.db2.gz ZMULOILSPQSWKH-INIZCTEOSA-N 1 0 317.433 2.233 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299770571 403570372 /nfs/dbraw/zinc/57/03/72/403570372.db2.gz VNCXDDGDIXMBRZ-OAHLLOKOSA-N 1 0 318.348 2.080 50 0 DEAARO O=C(NCc1cc2n(n1)CC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC000299775157 403571836 /nfs/dbraw/zinc/57/18/36/403571836.db2.gz IFMGMMRIMJNTON-UHFFFAOYSA-N 1 0 316.449 2.305 50 0 DEAARO O=C(CCc1cnccn1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299781090 403572696 /nfs/dbraw/zinc/57/26/96/403572696.db2.gz QXUCIINEPJUFPO-QGZVFWFLSA-N 1 0 324.428 2.048 50 0 DEAARO COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cc1OCCC[NH3+] ZINC000299786500 403574707 /nfs/dbraw/zinc/57/47/07/403574707.db2.gz KZGZLJIGBARPMJ-VIFPVBQESA-N 1 0 320.311 2.103 50 0 DEAARO CNc1nc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cs1 ZINC000299802440 403579345 /nfs/dbraw/zinc/57/93/45/403579345.db2.gz ZXSUOVIFJJRJEH-KCQAQPDRSA-N 1 0 311.451 2.343 50 0 DEAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000253429205 286362440 /nfs/dbraw/zinc/36/24/40/286362440.db2.gz CDWUUVQCTXSZHP-CJNGLKHVSA-N 1 0 309.431 2.267 50 0 DEAARO O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304321415 403780469 /nfs/dbraw/zinc/78/04/69/403780469.db2.gz 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225215753 /nfs/dbraw/zinc/21/57/53/225215753.db2.gz YWNSZPATWRJDAF-KFWWJZLASA-N 1 0 306.454 2.301 50 0 DEAARO O=C(NCc1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000047955113 424828697 /nfs/dbraw/zinc/82/86/97/424828697.db2.gz CBXZGWIVLQCQST-QGZVFWFLSA-N 1 0 317.433 2.083 50 0 DEAARO CC[NH+]1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 ZINC000048310555 424832210 /nfs/dbraw/zinc/83/22/10/424832210.db2.gz JKZLBMOQOFNFSM-UHFFFAOYSA-N 1 0 309.464 2.264 50 0 DEAARO CC(C)[NH+]1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 ZINC000044909425 424814009 /nfs/dbraw/zinc/81/40/09/424814009.db2.gz XUOPEBFEFFCQNX-UHFFFAOYSA-N 1 0 319.430 2.498 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1C ZINC000044948896 424814606 /nfs/dbraw/zinc/81/46/06/424814606.db2.gz CWTHCJFNNFXGAF-AWEZNQCLSA-N 1 0 320.462 2.497 50 0 DEAARO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000107363342 424849946 /nfs/dbraw/zinc/84/99/46/424849946.db2.gz CTINUQDOEPQRCV-KBXCAEBGSA-N 1 0 316.401 2.020 50 0 DEAARO c1ccc(CN2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)cc1 ZINC000108106752 424851142 /nfs/dbraw/zinc/85/11/42/424851142.db2.gz NTGQMHKEXXMLGL-IPMKNSEASA-N 1 0 316.445 2.141 50 0 DEAARO COc1ccc([C@H]([NH2+]C2CCOCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244633650 424886133 /nfs/dbraw/zinc/88/61/33/424886133.db2.gz GGXPBUHIDALIEG-QEORTHHSSA-N 1 0 309.381 2.415 50 0 DEAARO CCc1cc(C[N@@H+](C)CCC(=O)Nc2nnc(CC)s2)on1 ZINC000244594212 424886371 /nfs/dbraw/zinc/88/63/71/424886371.db2.gz DIJHMTQGOYGRPX-UHFFFAOYSA-N 1 0 323.422 2.112 50 0 DEAARO Nc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCC2)cn1 ZINC000584899976 424992800 /nfs/dbraw/zinc/99/28/00/424992800.db2.gz RESMRKDCKCJZPR-UHFFFAOYSA-N 1 0 302.422 2.192 50 0 DEAARO C[N@H+](CCCNc1cc([C@H]2CCOC2)ncn1)C1CCCC1 ZINC000426419761 425001408 /nfs/dbraw/zinc/00/14/08/425001408.db2.gz LWFQJZGJFMLXLD-AWEZNQCLSA-N 1 0 304.438 2.657 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1(C)C ZINC000496433712 269219960 /nfs/dbraw/zinc/21/99/60/269219960.db2.gz KTUHPRJYYUTJDF-CYBMUJFWSA-N 1 0 308.426 2.261 50 0 DEAARO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)c(F)c1 ZINC000515064752 269342606 /nfs/dbraw/zinc/34/26/06/269342606.db2.gz AERCTSHWSDQNEW-SUMWQHHRSA-N 1 0 319.380 2.435 50 0 DEAARO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000237092307 274158739 /nfs/dbraw/zinc/15/87/39/274158739.db2.gz YFESTBHXCGXKAV-AWEZNQCLSA-N 1 0 300.406 2.045 50 0 DEAARO Cc1cc(C)nc(N2CCC([NH2+][C@@H](C)c3ccncn3)CC2)n1 ZINC000095376978 274693920 /nfs/dbraw/zinc/69/39/20/274693920.db2.gz QUVXDTDKGPYWRT-AWEZNQCLSA-N 1 0 312.421 2.203 50 0 DEAARO CC[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000170057897 276142382 /nfs/dbraw/zinc/14/23/82/276142382.db2.gz IZULVJJJZDFXMX-INIZCTEOSA-N 1 0 312.417 2.356 50 0 DEAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2CCCCN2C1=O)c1ccccc1 ZINC000225554298 276788530 /nfs/dbraw/zinc/78/85/30/276788530.db2.gz DIGMCMWEGRJQSF-LSDHHAIUSA-N 1 0 301.390 2.106 50 0 DEAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]Cc2ccccc2)C1=O ZINC000012712663 277144916 /nfs/dbraw/zinc/14/49/16/277144916.db2.gz BITODGPCTDCGIP-SFHVURJKSA-N 1 0 304.434 2.176 50 0 DEAARO C[N@@H+]1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cn3)[C@@H]2C1 ZINC000284634820 277180758 /nfs/dbraw/zinc/18/07/58/277180758.db2.gz VEYKLGHONCLXOQ-VXGBXAGGSA-N 1 0 301.312 2.010 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000226287877 277285048 /nfs/dbraw/zinc/28/50/48/277285048.db2.gz BKSNJGAPFXFDOI-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH2+]CCC(C)C ZINC000007813790 277371621 /nfs/dbraw/zinc/37/16/21/277371621.db2.gz CHQNQAROBQANFJ-OAHLLOKOSA-N 1 0 309.406 2.273 50 0 DEAARO COc1ccc(N2N=[O+]C(=O)C2I)cc1 ZINC000059128114 277398358 /nfs/dbraw/zinc/39/83/58/277398358.db2.gz RJWUVFKPJIVNHN-UHFFFAOYSA-O 1 0 319.078 2.065 50 0 DEAARO COC(=O)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000005986098 277436060 /nfs/dbraw/zinc/43/60/60/277436060.db2.gz KSGMHHIJFZWFEJ-CQSZACIVSA-N 1 0 321.340 2.110 50 0 DEAARO COc1cccc(OC)c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000003178882 277456472 /nfs/dbraw/zinc/45/64/72/277456472.db2.gz VEURHTADPABNCE-OAHLLOKOSA-N 1 0 323.356 2.150 50 0 DEAARO C[C@@H](C1CCN(c2nccnc2N(C)C)CC1)[NH+]1CCCC1 ZINC000095388765 278220184 /nfs/dbraw/zinc/22/01/84/278220184.db2.gz FORCTCFDOMXLNZ-AWEZNQCLSA-N 1 0 303.454 2.243 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)n1cccn1 ZINC000069597379 278365653 /nfs/dbraw/zinc/36/56/53/278365653.db2.gz JUZUYYQREVQERG-FRRDWIJNSA-N 1 0 311.389 2.420 50 0 DEAARO C[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)[C@H]1C[NH3+] ZINC000299738781 278475259 /nfs/dbraw/zinc/47/52/59/278475259.db2.gz GHYUISVSQACBHV-COXVUDFISA-N 1 0 302.418 2.276 50 0 DEAARO CC[C@@H](COC)NC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000426712569 280151762 /nfs/dbraw/zinc/15/17/62/280151762.db2.gz DLOYECLKWQWOIQ-HNNXBMFYSA-N 1 0 320.437 2.037 50 0 DEAARO Cc1cc(C)nc(N2CCC([NH2+][C@H](C)c3ccncn3)CC2)n1 ZINC000095376979 280456583 /nfs/dbraw/zinc/45/65/83/280456583.db2.gz QUVXDTDKGPYWRT-CQSZACIVSA-N 1 0 312.421 2.203 50 0 DEAARO Cc1cccc2nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n(C)c21 ZINC000157578033 281317329 /nfs/dbraw/zinc/31/73/29/281317329.db2.gz QZXWYPLWXAIECF-HNNXBMFYSA-N 1 0 302.422 2.084 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CCC[NH2+]C1 ZINC000246887323 288394245 /nfs/dbraw/zinc/39/42/45/288394245.db2.gz VDKBQOBACIXSPZ-JHNDHUHGSA-N 1 0 302.418 2.363 50 0 DEAARO C[C@H]([NH2+][C@H](Cn1cncn1)c1ccccc1)C1CCOCC1 ZINC000095421768 290037383 /nfs/dbraw/zinc/03/73/83/290037383.db2.gz LLNBRBWJESFYPE-WMLDXEAASA-N 1 0 300.406 2.424 50 0 DEAARO COc1ccc2c3c1O[C@@]1(C)C[C@@H](O)C=C[C@@]31CC[N@@H+](C)C2 ZINC000227144317 295278602 /nfs/dbraw/zinc/27/86/02/295278602.db2.gz DYZLZUBOHRETCR-DOPJRALCSA-N 1 0 301.386 2.240 50 0 DEAARO Cc1cc(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)on1 ZINC000299755273 301268232 /nfs/dbraw/zinc/26/82/32/301268232.db2.gz FGOQXYNMFGHXEL-INIZCTEOSA-N 1 0 301.390 2.253 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000044556498 301664013 /nfs/dbraw/zinc/66/40/13/301664013.db2.gz SZYSJFSKOQGDCA-LLVKDONJSA-N 1 0 302.827 2.150 50 0 DEAARO Clc1ccccc1N1CCC([NH2+]CCn2cncn2)CC1 ZINC000534574504 334287571 /nfs/dbraw/zinc/28/75/71/334287571.db2.gz ODSBIXXAGPKEKX-UHFFFAOYSA-N 1 0 305.813 2.190 50 0 DEAARO COCC(C)(C)NC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000534574427 334287650 /nfs/dbraw/zinc/28/76/50/334287650.db2.gz AHBTXCYXBAOQLP-UHFFFAOYSA-N 1 0 304.434 2.191 50 0 DEAARO CCc1ccccc1OC1CN(C(=O)NC[C@H](CC)[NH+](C)C)C1 ZINC000534667893 334319396 /nfs/dbraw/zinc/31/93/96/334319396.db2.gz DEOHENMPMLSUHN-HNNXBMFYSA-N 1 0 319.449 2.362 50 0 DEAARO CCc1ccccc1OC1CN(C(=O)NC[C@@H](CC)[NH+](C)C)C1 ZINC000534667894 334319544 /nfs/dbraw/zinc/31/95/44/334319544.db2.gz DEOHENMPMLSUHN-OAHLLOKOSA-N 1 0 319.449 2.362 50 0 DEAARO CN1CCO[C@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000083007607 337375703 /nfs/dbraw/zinc/37/57/03/337375703.db2.gz WCZZLTKOUSDITM-INIZCTEOSA-N 1 0 320.820 2.286 50 0 DEAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000084735493 500602940 /nfs/dbraw/zinc/60/29/40/500602940.db2.gz ASFSSAURDCPYOG-CQSZACIVSA-N 1 0 319.449 2.314 50 0 DEAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000408525628 528502298 /nfs/dbraw/zinc/50/22/98/528502298.db2.gz KVAILGLXZSRSRS-ZNMIVQPWSA-N 1 0 312.454 2.330 50 0 DEAARO CCOC[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000408517751 529028251 /nfs/dbraw/zinc/02/82/51/529028251.db2.gz NRCQCPVJZOSPFD-INIZCTEOSA-N 1 0 304.434 2.289 50 0 DEAARO Cc1nccc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 ZINC000585145868 563519837 /nfs/dbraw/zinc/51/98/37/563519837.db2.gz NNBOTMNBWHLUOR-LBPRGKRZSA-N 1 0 317.418 2.060 50 0 DEAARO COC[C@@H]1CCN(Cc2nc(COc3ccccc3)no2)C1 ZINC000012225868 636059103 /nfs/dbraw/zinc/05/91/03/636059103.db2.gz BDUPGDYWXOAIDO-CYBMUJFWSA-N 1 0 303.362 2.117 50 0 DEAARO COCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)CCC1=O ZINC000012279938 636091967 /nfs/dbraw/zinc/09/19/67/636091967.db2.gz WOZKZLDCUQLZGX-INIZCTEOSA-N 1 0 304.434 2.188 50 0 DEAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000012434266 636628309 /nfs/dbraw/zinc/62/83/09/636628309.db2.gz YADZUOLNRYSCKX-MRXNPFEDSA-N 1 0 312.417 2.189 50 0 DEAARO CCn1ccnc1CN(C)c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067676329 640604661 /nfs/dbraw/zinc/60/46/61/640604661.db2.gz ALIFEZUWZUPZBI-UHFFFAOYSA-N 1 0 314.437 2.105 50 0 DEAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014540285 683848782 /nfs/dbraw/zinc/84/87/82/683848782.db2.gz KLKKYNYWLXPPNJ-CQSZACIVSA-N 1 0 318.465 2.098 50 0 DEAARO CN(C)c1cccc(CN2CC[NH+](CCCCCO)CC2)c1 ZINC000864091506 686618704 /nfs/dbraw/zinc/61/87/04/686618704.db2.gz YRWUXYPGCPVQOR-UHFFFAOYSA-N 1 0 305.466 2.033 50 0 DEAARO COCCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)o1 ZINC000585135551 790330205 /nfs/dbraw/zinc/33/02/05/790330205.db2.gz QCCXVXKDMTXBJV-UHFFFAOYSA-N 1 0 317.389 2.040 50 0 DEAARO COc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000824721337 783603962 /nfs/dbraw/zinc/60/39/62/783603962.db2.gz AIXHNUDCHHTXSC-AWEZNQCLSA-N 1 0 323.412 2.460 50 0 DEAARO O=C(Cc1cccnc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827854351 783699127 /nfs/dbraw/zinc/69/91/27/783699127.db2.gz KASKMIBTWUEMRT-HNNXBMFYSA-N 1 0 315.442 2.466 50 0 DEAARO Cc1nccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827861439 783700775 /nfs/dbraw/zinc/70/07/75/783700775.db2.gz JIYGNRRYVKHEMZ-AWEZNQCLSA-N 1 0 318.446 2.034 50 0 DEAARO CC(C)(C)c1csc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)n1 ZINC000827977145 783715755 /nfs/dbraw/zinc/71/57/55/783715755.db2.gz FRQBVORYGORGGK-RYUDHWBXSA-N 1 0 322.478 2.334 50 0 DEAARO O=C(c1ccccn1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581776331 784773978 /nfs/dbraw/zinc/77/39/78/784773978.db2.gz PITVHRHLDDTUFQ-UHFFFAOYSA-N 1 0 322.412 2.213 50 0 DEAARO O=C(c1cccs1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581787953 784776478 /nfs/dbraw/zinc/77/64/78/784776478.db2.gz LHFLZBXWTOCPDR-AWEZNQCLSA-N 1 0 308.447 2.323 50 0 DEAARO Cn1cccc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581798624 784778514 /nfs/dbraw/zinc/77/85/14/784778514.db2.gz SBPYTBWZEQEPAY-SJLPKXTDSA-N 1 0 309.413 2.372 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000581806334 784784172 /nfs/dbraw/zinc/78/41/72/784784172.db2.gz OWQHPWVAAFMSLA-CQSZACIVSA-N 1 0 313.405 2.280 50 0 DEAARO CC[C@@H](C[NH2+]Cc1cnc(C)n1-c1ccccc1)C(=O)OC ZINC000585116551 789703741 /nfs/dbraw/zinc/70/37/41/789703741.db2.gz ANAVBIHZJXCUJT-AWEZNQCLSA-N 1 0 301.390 2.470 50 0 DEAARO Cc1nc2ncnn2c(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1C ZINC000952994701 792855986 /nfs/dbraw/zinc/85/59/86/792855986.db2.gz UCNZMUYYPCGXED-LBPRGKRZSA-N 1 0 314.437 2.194 50 0 DEAARO Cc1nc(-c2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)n[nH]1 ZINC000237678039 797040754 /nfs/dbraw/zinc/04/07/54/797040754.db2.gz RBIWGQSFOSREPQ-MRXNPFEDSA-N 1 0 321.384 2.289 50 0 DEAARO CCn1nncc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000838911626 799547353 /nfs/dbraw/zinc/54/73/53/799547353.db2.gz AMZBFERNTCKJAZ-ZDUSSCGKSA-N 1 0 313.405 2.276 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc4ccn(C)c4c3)C[C@H]2O)[nH]n1 ZINC001529112323 1070861784 /nfs/dbraw/zinc/86/17/84/1070861784.db2.gz KVLDGRBJQLOGRM-VQIMIIECSA-N 1 0 324.428 2.245 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1c(C)c(-c2ccccc2)nn1C ZINC001529172890 1070901846 /nfs/dbraw/zinc/90/18/46/1070901846.db2.gz JXUPFFIIVOKQQA-ZDUSSCGKSA-N 1 0 318.446 2.414 50 0 DEAARO c1coc(CN2CCC([NH2+]Cc3nnc4ccccn43)CC2)c1 ZINC001506397120 1061935221 /nfs/dbraw/zinc/93/52/21/1061935221.db2.gz QHORAOFJRKOOOI-UHFFFAOYSA-N 1 0 311.389 2.077 50 0 DEAARO CCCC[N@H+](CCn1c(=O)cc(C)[nH]c1=O)Cc1ccco1 ZINC001506403462 1061945144 /nfs/dbraw/zinc/94/51/44/1061945144.db2.gz BNOADGCECFBRTO-UHFFFAOYSA-N 1 0 305.378 2.153 50 0 DEAARO COc1ccc([C@@H](O)C(=O)N(C)CC[N@H+](C)C2CCCC2)cc1 ZINC001506405066 1061945844 /nfs/dbraw/zinc/94/58/44/1061945844.db2.gz UUSUWHSZOHRXRK-QGZVFWFLSA-N 1 0 320.433 2.061 50 0 DEAARO C[C@H](O)c1nc2cc(NC(=O)C[N@H+](C)C3CCCC3)ccc2[nH]1 ZINC001506407512 1061947553 /nfs/dbraw/zinc/94/75/53/1061947553.db2.gz WRVUDZDQUOLQRN-NSHDSACASA-N 1 0 316.405 2.429 50 0 DEAARO CCc1nccn1C[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001506406810 1061947722 /nfs/dbraw/zinc/94/77/22/1061947722.db2.gz JMPDQYIOICWREF-OAHLLOKOSA-N 1 0 314.433 2.362 50 0 DEAARO c1ccc(N2CC[C@@H](N3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC001506414551 1061956245 /nfs/dbraw/zinc/95/62/45/1061956245.db2.gz FNSLHUNSFCYOFH-LJQANCHMSA-N 1 0 315.461 2.062 50 0 DEAARO c1ncn(-c2ncccc2C[NH2+][C@@H]2CCN(c3ccccc3)C2)n1 ZINC001506416706 1061960886 /nfs/dbraw/zinc/96/08/86/1061960886.db2.gz YBLSGEIGGSGARI-MRXNPFEDSA-N 1 0 320.400 2.031 50 0 DEAARO CCSCC[NH+]1CCC(CNC(=O)c2cccnc2)CC1 ZINC001506419569 1061964102 /nfs/dbraw/zinc/96/41/02/1061964102.db2.gz SITYDFKJMQJWCO-UHFFFAOYSA-N 1 0 307.463 2.277 50 0 DEAARO CC[C@@H](Cn1ccnc1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000822635807 1090641747 /nfs/dbraw/zinc/64/17/47/1090641747.db2.gz FPBHZBJZRAANEZ-AWEZNQCLSA-N 1 0 316.405 2.281 50 0 DEAARO CCn1ccnc1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095522755 185377349 /nfs/dbraw/zinc/37/73/49/185377349.db2.gz UZTUQKJHPCTVTI-OAHLLOKOSA-N 1 0 318.465 2.483 50 0 DEAARO CNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]C1 ZINC000077010617 185067232 /nfs/dbraw/zinc/06/72/32/185067232.db2.gz GIUXZWHUVYNGSD-GOSISDBHSA-N 1 0 313.401 2.308 50 0 DEAARO Cc1noc(CC2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)n1 ZINC000095527062 185377950 /nfs/dbraw/zinc/37/79/50/185377950.db2.gz LJBCTASJJWTSOV-OAHLLOKOSA-N 1 0 320.437 2.034 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)o1 ZINC000095529104 185378381 /nfs/dbraw/zinc/37/83/81/185378381.db2.gz ATINSINAFVGDQQ-MRXNPFEDSA-N 1 0 321.465 2.427 50 0 DEAARO NC(=O)Cn1ccnc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000095528329 185378621 /nfs/dbraw/zinc/37/86/21/185378621.db2.gz DGNAGJFKFRFRFE-IOMDMTNGSA-N 1 0 324.428 2.261 50 0 DEAARO COC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000079100167 185158172 /nfs/dbraw/zinc/15/81/72/185158172.db2.gz KEGQADRTMVRVGC-MRXNPFEDSA-N 1 0 320.433 2.012 50 0 DEAARO C[C@H](c1ccccc1Cl)N(C(=O)C[C@@H](C[NH3+])CO)C1CC1 ZINC000328598357 231237826 /nfs/dbraw/zinc/23/78/26/231237826.db2.gz LTLCDTZQLBYZJU-NEPJUHHUSA-N 1 0 310.825 2.349 50 0 DEAARO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1COc2ccccc21 ZINC000088229988 185242981 /nfs/dbraw/zinc/24/29/81/185242981.db2.gz AEMGABBRBIESCJ-MRXNPFEDSA-N 1 0 314.385 2.346 50 0 DEAARO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000090017075 185278369 /nfs/dbraw/zinc/27/83/69/185278369.db2.gz SPIVAJAKDUYUPD-YPMHNXCESA-N 1 0 310.467 2.035 50 0 DEAARO C/C=C/C[N@@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000082086613 192354313 /nfs/dbraw/zinc/35/43/13/192354313.db2.gz MBIKJOXQWIJKKQ-NSCUHMNNSA-N 1 0 316.449 2.220 50 0 DEAARO CCC[C@@H]1CN(Cc2nnc(-c3ccco3)o2)C[C@H]1[NH+](C)C ZINC000082099772 192356578 /nfs/dbraw/zinc/35/65/78/192356578.db2.gz AUJGNASAKKLCTR-CHWSQXEVSA-N 1 0 304.394 2.492 50 0 DEAARO CCc1cnc(N)nc1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095391130 185351552 /nfs/dbraw/zinc/35/15/52/185351552.db2.gz FOFTZTRGIWGEJS-CQSZACIVSA-N 1 0 303.385 2.475 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(O)co1)c1ccccc1 ZINC000095398975 185353742 /nfs/dbraw/zinc/35/37/42/185353742.db2.gz WSKIUJJWCCDDKN-HNNXBMFYSA-N 1 0 314.385 2.446 50 0 DEAARO CCc1ccccc1NC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082147804 192361955 /nfs/dbraw/zinc/36/19/55/192361955.db2.gz IPOXIBXGBDMSFY-UHFFFAOYSA-N 1 0 313.405 2.261 50 0 DEAARO CC1(C)C[C@@H]([NH2+]CCCNC(=O)c2cccc(O)c2)C(C)(C)O1 ZINC000095421575 185360853 /nfs/dbraw/zinc/36/08/53/185360853.db2.gz KMJNQBFNYLYTHM-OAHLLOKOSA-N 1 0 320.433 2.448 50 0 DEAARO CONC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095447161 185367991 /nfs/dbraw/zinc/36/79/91/185367991.db2.gz XMVQSWQSUBKVTH-GWCFXTLKSA-N 1 0 315.776 2.333 50 0 DEAARO O=C(CN1CC[NH+](CC2CCCCCC2)CC1)N1CCCC1 ZINC000095453924 185369451 /nfs/dbraw/zinc/36/94/51/185369451.db2.gz PPCPFWKTTJKPJV-UHFFFAOYSA-N 1 0 307.482 2.197 50 0 DEAARO Cc1ccc([C@H]2CN(C(=O)NCC(C)(C)[NH+](C)C)CCO2)o1 ZINC000095437999 185365728 /nfs/dbraw/zinc/36/57/28/185365728.db2.gz NWNQBWFIXHJMSO-CQSZACIVSA-N 1 0 309.410 2.011 50 0 DEAARO CCc1ccc(-n2nc(C(=O)N3CC[C@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000097019550 185397919 /nfs/dbraw/zinc/39/79/19/185397919.db2.gz MRCFSIWLVBMAOQ-AWEZNQCLSA-N 1 0 324.428 2.097 50 0 DEAARO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000097033440 185399583 /nfs/dbraw/zinc/39/95/83/185399583.db2.gz GMPAUUZTFBWKCY-TZMCWYRMSA-N 1 0 317.838 2.274 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000408517318 529902340 /nfs/dbraw/zinc/90/23/40/529902340.db2.gz GSMKYZBFSKKZSG-AEFFLSMTSA-N 1 0 318.417 2.043 50 0 DEAARO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCCCCC1 ZINC000015461471 295713777 /nfs/dbraw/zinc/71/37/77/295713777.db2.gz SULQVNJCIQMQAV-ZDUSSCGKSA-N 1 0 301.390 2.236 50 0 DEAARO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc2ccccc2o1 ZINC000083850989 539390487 /nfs/dbraw/zinc/39/04/87/539390487.db2.gz QZNWIGPAOZCSFX-UHFFFAOYSA-N 1 0 310.419 2.395 50 0 DEAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000084736194 539398067 /nfs/dbraw/zinc/39/80/67/539398067.db2.gz LXZYRGKRKJKJQH-SUHUHFCYSA-N 1 0 306.410 2.066 50 0 DEAARO CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1noc(C)n1 ZINC000084734869 539398269 /nfs/dbraw/zinc/39/82/69/539398269.db2.gz JXARJVMEXXNSFY-CYBMUJFWSA-N 1 0 323.441 2.393 50 0 DEAARO CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085820289 539402633 /nfs/dbraw/zinc/40/26/33/539402633.db2.gz MDRJNUURNUJDFF-GJZGRUSLSA-N 1 0 302.484 2.170 50 0 DEAARO CC[NH+](CC)CCNC(=O)[C@]1(C)CC(c2cccs2)=NO1 ZINC000226749786 201785460 /nfs/dbraw/zinc/78/54/60/201785460.db2.gz BHABPXHWJLQQTR-HNNXBMFYSA-N 1 0 309.435 2.089 50 0 DEAARO NC(=O)c1cncc(-c2ccc3c4c(ccc3c2)O[C@@H](C[NH3+])C4)c1 ZINC000067514885 190710366 /nfs/dbraw/zinc/71/03/66/190710366.db2.gz QEQNAGQWSPNGGD-OAHLLOKOSA-N 1 0 319.364 2.263 50 0 DEAARO Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000170677083 197805467 /nfs/dbraw/zinc/80/54/67/197805467.db2.gz XCYVLHMFIPDAMO-OAHLLOKOSA-N 1 0 316.396 2.317 50 0 DEAARO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000221947264 539728365 /nfs/dbraw/zinc/72/83/65/539728365.db2.gz SMZPHJMOQPFCLU-HZPDHXFCSA-N 1 0 315.417 2.337 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 ZINC000221935490 539728711 /nfs/dbraw/zinc/72/87/11/539728711.db2.gz NTIDHYKCFCTRII-BFYDXBDKSA-N 1 0 322.449 2.027 50 0 DEAARO CCCc1nnc(C(=O)N2CCC([C@@H](C)[NH+]3CCCC3)CC2)o1 ZINC000071771258 191030078 /nfs/dbraw/zinc/03/00/78/191030078.db2.gz ZNZMIEQGKISAKQ-CYBMUJFWSA-N 1 0 320.437 2.359 50 0 DEAARO CNC(=O)O[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769292 191030350 /nfs/dbraw/zinc/03/03/50/191030350.db2.gz IISFPHYBOMXAGZ-CQSZACIVSA-N 1 0 308.353 2.219 50 0 DEAARO O=C(C[C@H]1COCC[NH2+]1)NCCc1ccc(Cl)cc1Cl ZINC000072119510 191039061 /nfs/dbraw/zinc/03/90/61/191039061.db2.gz NRWKVZJZPAMLLY-LBPRGKRZSA-N 1 0 317.216 2.031 50 0 DEAARO C[NH+]1CCC(N(CCc2ccccc2)S(=O)(=O)C2CC2)CC1 ZINC000072145221 191050325 /nfs/dbraw/zinc/05/03/25/191050325.db2.gz ACQWHPWAOGDSES-UHFFFAOYSA-N 1 0 322.474 2.118 50 0 DEAARO C[C@@H](CN(C)Cc1cn(-c2ccccc2)nn1)C[NH+]1CCCC1 ZINC000072157634 191061262 /nfs/dbraw/zinc/06/12/62/191061262.db2.gz LVGZWSKBJXJVIA-INIZCTEOSA-N 1 0 313.449 2.431 50 0 DEAARO COCC[N@@H+]1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072161701 191062330 /nfs/dbraw/zinc/06/23/30/191062330.db2.gz UTZNRNUOELXYNO-IPMKNSEASA-N 1 0 316.445 2.204 50 0 DEAARO CCN1CCO[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000072268806 191091638 /nfs/dbraw/zinc/09/16/38/191091638.db2.gz JEHKTBTVNFBLAP-NSHDSACASA-N 1 0 319.268 2.321 50 0 DEAARO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000225674601 186288272 /nfs/dbraw/zinc/28/82/72/186288272.db2.gz RYUJRCHJOFVXFL-WMLDXEAASA-N 1 0 319.380 2.263 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)sc1C ZINC000253369432 186300983 /nfs/dbraw/zinc/30/09/83/186300983.db2.gz CNHCQEFDWTWTAF-CMPLNLGQSA-N 1 0 302.465 2.113 50 0 DEAARO CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000072309875 191118601 /nfs/dbraw/zinc/11/86/01/191118601.db2.gz NFQXKYHIFIZKEA-CYBMUJFWSA-N 1 0 320.437 2.240 50 0 DEAARO Cc1ncc2c(c1CNC(=O)c1ccccc1N(C)C)CC[NH2+]C2 ZINC000072447229 191168718 /nfs/dbraw/zinc/16/87/18/191168718.db2.gz GLVPXSWDIHMCGU-UHFFFAOYSA-N 1 0 324.428 2.032 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072473785 191177113 /nfs/dbraw/zinc/17/71/13/191177113.db2.gz WFCRSCVWSDLMOI-OAHLLOKOSA-N 1 0 305.470 2.389 50 0 DEAARO Cc1cccc([C@@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000072561813 191194207 /nfs/dbraw/zinc/19/42/07/191194207.db2.gz HDYCJTUWDJKOHL-MRXNPFEDSA-N 1 0 303.450 2.152 50 0 DEAARO CC[C@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CCS1 ZINC000072862532 191241106 /nfs/dbraw/zinc/24/11/06/191241106.db2.gz SXANUBCZKUCUHB-LBPRGKRZSA-N 1 0 303.431 2.293 50 0 DEAARO CC[NH+](CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001646515 180883465 /nfs/dbraw/zinc/88/34/65/180883465.db2.gz RLJICTMMHSBWSL-UHFFFAOYSA-N 1 0 311.378 2.211 50 0 DEAARO Ic1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782838 283040961 /nfs/dbraw/zinc/04/09/61/283040961.db2.gz SWTJQNRHOSKLFS-NSHDSACASA-N 1 0 303.143 2.422 50 0 DEAARO CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000074350627 355024665 /nfs/dbraw/zinc/02/46/65/355024665.db2.gz OKUIXNRNXYQTIE-IIDMSEBBSA-N 1 0 323.481 2.316 50 0 DEAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)Cc1cccc(OC(F)F)c1 ZINC000075134317 355071033 /nfs/dbraw/zinc/07/10/33/355071033.db2.gz NNWWXEFICJDJEH-ZDUSSCGKSA-N 1 0 312.360 2.241 50 0 DEAARO Cc1n[nH]cc1C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000079020778 355292365 /nfs/dbraw/zinc/29/23/65/355292365.db2.gz LHNBKWINZNMVJG-AWEZNQCLSA-N 1 0 304.781 2.267 50 0 DEAARO COc1ccc2c(ccn2CC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000078894515 355283100 /nfs/dbraw/zinc/28/31/00/355283100.db2.gz CFVSJHPZYGKMET-DYVFJYSZSA-N 1 0 315.417 2.058 50 0 DEAARO FC(F)(F)[C@@H]1CCc2nnc(C[NH2+]C3CCSCC3)n2C1 ZINC000089598108 355537713 /nfs/dbraw/zinc/53/77/13/355537713.db2.gz PXIKFVOSKKFXHF-SECBINFHSA-N 1 0 320.384 2.388 50 0 DEAARO CC(C)c1nccc(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)n1 ZINC000077519445 191731054 /nfs/dbraw/zinc/73/10/54/191731054.db2.gz YQMMWLIAISRUSJ-GOSISDBHSA-N 1 0 318.465 2.023 50 0 DEAARO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234327 355703143 /nfs/dbraw/zinc/70/31/43/355703143.db2.gz YUANFILFFFVBGA-HZPDHXFCSA-N 1 0 317.437 2.131 50 0 DEAARO CCCC(=O)N1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097942739 355706805 /nfs/dbraw/zinc/70/68/05/355706805.db2.gz ROQIZULXIWGUBY-MJGOQNOKSA-N 1 0 316.445 2.371 50 0 DEAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(C)=O)nc21 ZINC000005121702 181205779 /nfs/dbraw/zinc/20/57/79/181205779.db2.gz RGKAOWPPVJZIKV-UHFFFAOYSA-N 1 0 323.418 2.228 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]CCO[C@@H]1CCCC[C@H]1C)CC2 ZINC000106929473 355726756 /nfs/dbraw/zinc/72/67/56/355726756.db2.gz HSTFBVINJUWMGD-VNQPRFMTSA-N 1 0 306.454 2.334 50 0 DEAARO CCOc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000129967526 355837753 /nfs/dbraw/zinc/83/77/53/355837753.db2.gz XQWGUYQZACARQL-MRXNPFEDSA-N 1 0 319.449 2.487 50 0 DEAARO COc1cc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1F ZINC000130497661 355843252 /nfs/dbraw/zinc/84/32/52/355843252.db2.gz PNAXYKMLWPGBTD-STQMWFEESA-N 1 0 323.412 2.488 50 0 DEAARO C[NH+](C)CCCNc1nc2sc3c(c2c2ncnn21)CCC3 ZINC000005562957 181257917 /nfs/dbraw/zinc/25/79/17/181257917.db2.gz YCSRQWBLBMVVMA-UHFFFAOYSA-N 1 0 316.434 2.191 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cn1 ZINC000195553610 356256050 /nfs/dbraw/zinc/25/60/50/356256050.db2.gz ZPNXABFKWVOQJZ-MOPGFXCFSA-N 1 0 322.412 2.402 50 0 DEAARO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NCc2ccco2)C1 ZINC000080900674 192199852 /nfs/dbraw/zinc/19/98/52/192199852.db2.gz BQQGJISXNFVIPM-GUYCJALGSA-N 1 0 308.422 2.063 50 0 DEAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000252672488 356335147 /nfs/dbraw/zinc/33/51/47/356335147.db2.gz QDRSYBZTBARSDX-UKRRQHHQSA-N 1 0 314.451 2.208 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000253369995 356336353 /nfs/dbraw/zinc/33/63/53/356336353.db2.gz KVYFSADUAFVZAV-OKYOBFRVSA-N 1 0 322.493 2.306 50 0 DEAARO CCOc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000236901100 202060976 /nfs/dbraw/zinc/06/09/76/202060976.db2.gz RXQDJGUWAZKVTP-GXTWGEPZSA-N 1 0 306.406 2.293 50 0 DEAARO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237017120 202123488 /nfs/dbraw/zinc/12/34/88/202123488.db2.gz JKYQUUIPCNGNCC-RBSFLKMASA-N 1 0 318.417 2.192 50 0 DEAARO O=S(=O)(CC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000380220075 356668991 /nfs/dbraw/zinc/66/89/91/356668991.db2.gz VVVUHOLOYVIDEA-UHFFFAOYSA-N 1 0 318.236 2.222 50 0 DEAARO CC1(C)[C@H](NC(=O)c2ccc(Br)s2)C[C@@H]1[NH3+] ZINC000397955513 356719451 /nfs/dbraw/zinc/71/94/51/356719451.db2.gz DZGCBCUWZASMPD-JGVFFNPUSA-N 1 0 303.225 2.366 50 0 DEAARO CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)ONC(=O)OC(C)(C)C ZINC000398695738 356720631 /nfs/dbraw/zinc/72/06/31/356720631.db2.gz DOISBRIUEYEGJC-RDBSUJKOSA-N 1 0 316.442 2.482 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000237251647 202204664 /nfs/dbraw/zinc/20/46/64/202204664.db2.gz ZLEUOZFFINUBJN-JTQLQIEISA-N 1 0 310.781 2.140 50 0 DEAARO CC[NH+]1CCN(Cc2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1 ZINC000584901679 357331312 /nfs/dbraw/zinc/33/13/12/357331312.db2.gz QWWCMFQOHLBTPN-UHFFFAOYSA-N 1 0 310.405 2.091 50 0 DEAARO C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CS1 ZINC000585141276 357338622 /nfs/dbraw/zinc/33/86/22/357338622.db2.gz SQAMOOIVMIQSFQ-DAXOMENPSA-N 1 0 319.474 2.442 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000178594679 198893524 /nfs/dbraw/zinc/89/35/24/198893524.db2.gz ZTJYFNCCDDHTFK-LBPRGKRZSA-N 1 0 302.403 2.029 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc3c(c2)OCCO3)N1 ZINC000018053400 283271146 /nfs/dbraw/zinc/27/11/46/283271146.db2.gz JGYRSIHGVJTIHC-HNNXBMFYSA-N 1 0 321.340 2.304 50 0 DEAARO Cn1c2ccccc2nc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179299320 199011868 /nfs/dbraw/zinc/01/18/68/199011868.db2.gz KGOFLZWRZBRBRK-AWEZNQCLSA-N 1 0 314.433 2.486 50 0 DEAARO C[NH+](C)CC(=O)NC1CCC(Oc2ncccc2Cl)CC1 ZINC000186746955 200002983 /nfs/dbraw/zinc/00/29/83/200002983.db2.gz CHSWAIBVHKDYTF-UHFFFAOYSA-N 1 0 311.813 2.103 50 0 DEAARO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1OC ZINC000237435779 202265607 /nfs/dbraw/zinc/26/56/07/202265607.db2.gz GLAHAMKSUKIXJA-DZGCQCFKSA-N 1 0 304.434 2.461 50 0 DEAARO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@]1(CO)CCOC1 ZINC000188405745 200241359 /nfs/dbraw/zinc/24/13/59/200241359.db2.gz CPQFJVKAAJYDRP-BXUZGUMPSA-N 1 0 314.223 2.121 50 0 DEAARO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000237874886 202376111 /nfs/dbraw/zinc/37/61/11/202376111.db2.gz CNPXDDUNDUXBJQ-CVEARBPZSA-N 1 0 306.381 2.323 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000237929674 202394096 /nfs/dbraw/zinc/39/40/96/202394096.db2.gz UMWQNDPLOOIUPD-LLVKDONJSA-N 1 0 324.306 2.064 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2cc3sccc3[nH]2)CCOCC1 ZINC000189013631 200335907 /nfs/dbraw/zinc/33/59/07/200335907.db2.gz OTEIDBXZGDIESA-UHFFFAOYSA-N 1 0 307.419 2.070 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000041028142 283565877 /nfs/dbraw/zinc/56/58/77/283565877.db2.gz GYKCGYPDDYNLIS-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063193995 296024307 /nfs/dbraw/zinc/02/43/07/296024307.db2.gz GQSHTBLBNLQMOM-SKDRFNHKSA-N 1 0 320.817 2.370 50 0 DEAARO O[C@H]1CN(CCCOCc2ccccc2)C[C@@H]1[NH+]1CCCCC1 ZINC000670450457 540935150 /nfs/dbraw/zinc/93/51/50/540935150.db2.gz FCDAZOAWOFGERV-OALUTQOASA-N 1 0 318.461 2.124 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[N@@H+]2CCCN(C(=O)C3CCC3)CC2)n1 ZINC000670452206 540935792 /nfs/dbraw/zinc/93/57/92/540935792.db2.gz DDCYCMKXCBCWBR-INIZCTEOSA-N 1 0 318.465 2.223 50 0 DEAARO COc1ccc2c(c1)CC[C@H]([NH2+]CCCn1ccccc1=O)C2 ZINC000670457258 540936414 /nfs/dbraw/zinc/93/64/14/540936414.db2.gz GPTDPDAVQSZJOM-KRWDZBQOSA-N 1 0 312.413 2.394 50 0 DEAARO Cc1ccccc1OC[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000670471209 540938189 /nfs/dbraw/zinc/93/81/89/540938189.db2.gz MIIOTQAQWNVTCS-MRXNPFEDSA-N 1 0 300.406 2.378 50 0 DEAARO c1nc([C@H]2C[C@@H]([NH2+]C3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000244873200 202505133 /nfs/dbraw/zinc/50/51/33/202505133.db2.gz WLRBGJHKPJLPHA-OTVXOJSOSA-N 1 0 302.422 2.091 50 0 DEAARO COCc1nc(NCCSC(C)C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244874228 202505844 /nfs/dbraw/zinc/50/58/44/202505844.db2.gz WWXOZXCKHZTSGH-TXEJJXNPSA-N 1 0 310.467 2.381 50 0 DEAARO Cc1nc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)sc1C ZINC000244882784 202507045 /nfs/dbraw/zinc/50/70/45/202507045.db2.gz XZAAIVJJSFZCPS-TXEJJXNPSA-N 1 0 303.435 2.409 50 0 DEAARO CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000006746931 181381590 /nfs/dbraw/zinc/38/15/90/181381590.db2.gz RDVODDFSVHYCRE-UHFFFAOYSA-N 1 0 310.463 2.344 50 0 DEAARO CC[C@H]1CN(C(=O)c2cnc(SC)nc2)CC[N@@H+]1C(C)C ZINC000091288621 193031927 /nfs/dbraw/zinc/03/19/27/193031927.db2.gz WZQJDQNOJBKJBW-ZDUSSCGKSA-N 1 0 308.451 2.143 50 0 DEAARO Cc1ccc(OCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1C ZINC000091625855 193081688 /nfs/dbraw/zinc/08/16/88/193081688.db2.gz CLULCUAJDNCQGT-HZPDHXFCSA-N 1 0 302.418 2.235 50 0 DEAARO Cc1ccccc1[C@]1(O)CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000091782170 193106951 /nfs/dbraw/zinc/10/69/51/193106951.db2.gz JMLJJZIKBNNSFK-IBGZPJMESA-N 1 0 324.428 2.344 50 0 DEAARO COc1ccc2c(C)c(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]C4)oc2c1 ZINC000092037639 193144617 /nfs/dbraw/zinc/14/46/17/193144617.db2.gz YZXYYVPXRWPFCG-TXEJJXNPSA-N 1 0 300.358 2.326 50 0 DEAARO CN(CC[NH+](C)C)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000092080634 193155485 /nfs/dbraw/zinc/15/54/85/193155485.db2.gz HFBGQBXCFBCXFZ-UHFFFAOYSA-N 1 0 321.352 2.026 50 0 DEAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820396 193313513 /nfs/dbraw/zinc/31/35/13/193313513.db2.gz DTVZKDJZCAXVOC-QGZVFWFLSA-N 1 0 307.390 2.325 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)CC2 ZINC000095989008 193480766 /nfs/dbraw/zinc/48/07/66/193480766.db2.gz AOUVGXYPRFJMSB-WFASDCNBSA-N 1 0 318.396 2.272 50 0 DEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc[nH]c1=S ZINC000010086169 181655738 /nfs/dbraw/zinc/65/57/38/181655738.db2.gz WOTFGAPORYBNBQ-UHFFFAOYSA-N 1 0 301.415 2.362 50 0 DEAARO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000019499923 182126176 /nfs/dbraw/zinc/12/61/76/182126176.db2.gz WECFHTGPDLKETN-ZDUSSCGKSA-N 1 0 308.422 2.326 50 0 DEAARO COc1ccc2ccccc2c1C[NH2+]CCN1CCOCC1 ZINC000019564044 182130490 /nfs/dbraw/zinc/13/04/90/182130490.db2.gz GAOQRGXWQHQIHL-UHFFFAOYSA-N 1 0 300.402 2.270 50 0 DEAARO CCCN1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000019939776 182168212 /nfs/dbraw/zinc/16/82/12/182168212.db2.gz IWHSHTMUXGMQBH-CYBMUJFWSA-N 1 0 307.463 2.340 50 0 DEAARO CC(=O)c1cc(CC(=O)N(C)C[C@H]2CCCC[N@@H+]2C)cs1 ZINC000020119018 182188971 /nfs/dbraw/zinc/18/89/71/182188971.db2.gz JTTNJRLXBVWYBW-CQSZACIVSA-N 1 0 308.447 2.436 50 0 DEAARO Cc1cnc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000024115204 182376077 /nfs/dbraw/zinc/37/60/77/182376077.db2.gz GSPCUINWSTTWAA-UHFFFAOYSA-N 1 0 310.401 2.311 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)CN1CCCC1=O)O[C@@H](C)C2 ZINC000040153274 183040022 /nfs/dbraw/zinc/04/00/22/183040022.db2.gz HPWKUKCTWYLOFW-STQMWFEESA-N 1 0 318.417 2.119 50 0 DEAARO CCCCNC(=O)NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000040105863 183035285 /nfs/dbraw/zinc/03/52/85/183035285.db2.gz VJSTYBZNBKTWTJ-UHFFFAOYSA-N 1 0 305.422 2.177 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000040594165 183106757 /nfs/dbraw/zinc/10/67/57/183106757.db2.gz WGMOFTLRRNTIFR-SNVBAGLBSA-N 1 0 301.312 2.172 50 0 DEAARO NC(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000042419267 183267564 /nfs/dbraw/zinc/26/75/64/183267564.db2.gz YJUJOAGNIXECEP-UHFFFAOYSA-N 1 0 312.211 2.082 50 0 DEAARO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000043434977 183363287 /nfs/dbraw/zinc/36/32/87/183363287.db2.gz IRGNNIHTFWMXLW-HNNXBMFYSA-N 1 0 313.405 2.125 50 0 DEAARO CC1(C)CC(NC(=O)c2nnc3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000046087955 183549296 /nfs/dbraw/zinc/54/92/96/183549296.db2.gz NMHKWJQNRIWQJO-UHFFFAOYSA-N 1 0 313.405 2.064 50 0 DEAARO Cc1csc(CNC(=O)c2ccccc2OCC[NH+](C)C)n1 ZINC000047297626 183586352 /nfs/dbraw/zinc/58/63/52/183586352.db2.gz LFZLFELOTPQKHD-UHFFFAOYSA-N 1 0 319.430 2.322 50 0 DEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2)cn1 ZINC000106768209 194250861 /nfs/dbraw/zinc/25/08/61/194250861.db2.gz MWRFLXMSGCLCJH-QZTJIDSGSA-N 1 0 315.417 2.135 50 0 DEAARO Cc1cccc(N2CC[N@H+](CCOC[C@@H]3CCCO3)[C@@H](C)C2)n1 ZINC000110617910 194343193 /nfs/dbraw/zinc/34/31/93/194343193.db2.gz VSIAKRANLXHSTH-IRXDYDNUSA-N 1 0 319.449 2.096 50 0 DEAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@H]3CCC[N@H+]3C)ccc12 ZINC000058003915 184066044 /nfs/dbraw/zinc/06/60/44/184066044.db2.gz DZFTXTVUHNSFBV-CYBMUJFWSA-N 1 0 315.373 2.317 50 0 DEAARO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000058146784 184080912 /nfs/dbraw/zinc/08/09/12/184080912.db2.gz YFCVHVGEZYVPNH-OAHLLOKOSA-N 1 0 317.433 2.226 50 0 DEAARO CCOCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058357379 184108743 /nfs/dbraw/zinc/10/87/43/184108743.db2.gz AYLIUUGYQKOAMG-OAHLLOKOSA-N 1 0 308.397 2.190 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1 ZINC000058391671 184111056 /nfs/dbraw/zinc/11/10/56/184111056.db2.gz SMTVLYDKWJXNJW-QZTJIDSGSA-N 1 0 310.397 2.433 50 0 DEAARO COc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000058248270 184095066 /nfs/dbraw/zinc/09/50/66/184095066.db2.gz XHEKJPSMXXQTDX-UHFFFAOYSA-N 1 0 305.422 2.226 50 0 DEAARO Cc1ccsc1C[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000058394075 184112630 /nfs/dbraw/zinc/11/26/30/184112630.db2.gz FYSIHUHHTYLITR-UHFFFAOYSA-N 1 0 320.462 2.225 50 0 DEAARO COc1c(C[NH2+][C@H](C)COc2ccccc2OC)c(C)nn1C ZINC000058420551 184115997 /nfs/dbraw/zinc/11/59/97/184115997.db2.gz KZVZEHVMNSDSOK-GFCCVEGCSA-N 1 0 319.405 2.303 50 0 DEAARO CC(C)C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000061022024 184159863 /nfs/dbraw/zinc/15/98/63/184159863.db2.gz GRBKRARIEDQXSP-MRXNPFEDSA-N 1 0 308.397 2.096 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063194059 184277507 /nfs/dbraw/zinc/27/75/07/184277507.db2.gz MUIQAHAXDLVVDL-YPMHNXCESA-N 1 0 300.399 2.025 50 0 DEAARO CCc1ccc([C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000065255237 184318446 /nfs/dbraw/zinc/31/84/46/184318446.db2.gz JUAOWLOHBKXMFM-SFHVURJKSA-N 1 0 311.429 2.500 50 0 DEAARO Cc1cncc(NC(=O)c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000065369911 184329407 /nfs/dbraw/zinc/32/94/07/184329407.db2.gz CIDUXDZYIUQUDR-KRWDZBQOSA-N 1 0 311.385 2.209 50 0 DEAARO C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(O)c1)N[C@]2(CO)c1ccccc1 ZINC000065383288 184332916 /nfs/dbraw/zinc/33/29/16/184332916.db2.gz ITASNADQIJAQOS-IYWMVGAKSA-N 1 0 324.424 2.102 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2ccccc2F)n1 ZINC000065436766 184344658 /nfs/dbraw/zinc/34/46/58/184344658.db2.gz URGWUFJJVQCMJK-UHFFFAOYSA-N 1 0 316.380 2.227 50 0 DEAARO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C[C@H](C)C(=O)OC ZINC000065493946 184354509 /nfs/dbraw/zinc/35/45/09/184354509.db2.gz OGWAYYNODBKGDD-STQMWFEESA-N 1 0 324.396 2.134 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2F)C1 ZINC000065554742 184365884 /nfs/dbraw/zinc/36/58/84/184365884.db2.gz LDEQPFDWJFQBRV-GFCCVEGCSA-N 1 0 312.360 2.051 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000065575322 184367772 /nfs/dbraw/zinc/36/77/72/184367772.db2.gz WADPOGOBFPYJJE-UHFFFAOYSA-N 1 0 302.378 2.117 50 0 DEAARO COCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625604 184375236 /nfs/dbraw/zinc/37/52/36/184375236.db2.gz BZCRMANFUKWREG-IRXDYDNUSA-N 1 0 302.418 2.288 50 0 DEAARO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1Cl ZINC000065626034 184375291 /nfs/dbraw/zinc/37/52/91/184375291.db2.gz KTHZKRUNTJYLTP-UHFFFAOYSA-N 1 0 302.827 2.056 50 0 DEAARO COc1cc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)cc2c1OCO2 ZINC000069418487 184513745 /nfs/dbraw/zinc/51/37/45/184513745.db2.gz ITEDMYYHITYBAV-RYUDHWBXSA-N 1 0 303.362 2.360 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)nc21 ZINC000156356193 197106584 /nfs/dbraw/zinc/10/65/84/197106584.db2.gz JURYWYYQMVVINL-KGLIPLIRSA-N 1 0 314.433 2.390 50 0 DEAARO OCC(CO)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000095985045 285246676 /nfs/dbraw/zinc/24/66/76/285246676.db2.gz WFNKEPUXDGVVDS-ZDUSSCGKSA-N 1 0 303.374 2.322 50 0 DEAARO CCN(C(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000071886835 184888829 /nfs/dbraw/zinc/88/88/29/184888829.db2.gz GYYCXEJNCAQZTF-UHFFFAOYSA-N 1 0 320.408 2.432 50 0 DEAARO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000121584885 195311592 /nfs/dbraw/zinc/31/15/92/195311592.db2.gz JDDJDOGZPFXQKU-BRWVUGGUSA-N 1 0 302.418 2.101 50 0 DEAARO O=C1C[C@H](C[NH2+]Cc2c[nH]c3nccnc23)c2ccccc2N1 ZINC000368215106 133264869 /nfs/dbraw/zinc/26/48/69/133264869.db2.gz JTKACMBHBVWDLI-LLVKDONJSA-N 1 0 307.357 2.125 50 0 DEAARO CCCC(=O)NCCNc1nc(N2CCCCC2)cc(C)[nH+]1 ZINC000067629840 134835477 /nfs/dbraw/zinc/83/54/77/134835477.db2.gz UCIOZUHGHLDALL-UHFFFAOYSA-N 1 0 305.426 2.104 50 0 DEAARO Cc1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)ccc1Br ZINC000073852747 401723672 /nfs/dbraw/zinc/72/36/72/401723672.db2.gz BHFNEGCZEHQVKE-GFCCVEGCSA-N 1 0 311.223 2.468 50 0 DEAARO COc1ccc(CC(=O)NCC[NH+](C(C)C)C(C)C)cc1OC ZINC000007982529 401746335 /nfs/dbraw/zinc/74/63/35/401746335.db2.gz AFWXHXXWRYKLTN-UHFFFAOYSA-N 1 0 322.449 2.481 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2cc(C)on2)[NH+](C)C)cc1 ZINC000007987200 401746462 /nfs/dbraw/zinc/74/64/62/401746462.db2.gz FHKPHOJPBNFSJB-HNNXBMFYSA-N 1 0 303.362 2.024 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000071876311 401690483 /nfs/dbraw/zinc/69/04/83/401690483.db2.gz HPISNHJEFYTMGA-CVEARBPZSA-N 1 0 304.369 2.005 50 0 DEAARO O[C@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1F ZINC000071876341 401690861 /nfs/dbraw/zinc/69/08/61/401690861.db2.gz YDZWALQFDNFSSX-CZUORRHYSA-N 1 0 304.369 2.005 50 0 DEAARO C[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000071877454 401690941 /nfs/dbraw/zinc/69/09/41/401690941.db2.gz IHIQMUPTOXKLRE-CQSZACIVSA-N 1 0 317.458 2.309 50 0 DEAARO O=c1oc2ccccc2c(N2CCOCC2)c1C[NH+]1CCCC1 ZINC000000236911 401691854 /nfs/dbraw/zinc/69/18/54/401691854.db2.gz CGGKIDYOOQUPSI-UHFFFAOYSA-N 1 0 314.385 2.225 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccccc2)CC1 ZINC000071892877 401693582 /nfs/dbraw/zinc/69/35/82/401693582.db2.gz RMJWVNLVFMKPJG-SFHVURJKSA-N 1 0 317.477 2.167 50 0 DEAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000000353018 401695144 /nfs/dbraw/zinc/69/51/44/401695144.db2.gz MIXARTSGVVLQPS-MRXNPFEDSA-N 1 0 321.417 2.010 50 0 DEAARO Cc1cccc(C2([NH2+]CCCN3C(=O)CNC3=O)CCCC2)c1 ZINC000071905283 401695669 /nfs/dbraw/zinc/69/56/69/401695669.db2.gz GEVOLTAERQIIBG-UHFFFAOYSA-N 1 0 315.417 2.296 50 0 DEAARO c1nnc2n1C[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000072252921 401704395 /nfs/dbraw/zinc/70/43/95/401704395.db2.gz YFVLKALYNHNWTF-CQSZACIVSA-N 1 0 320.400 2.087 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)NCCc2ccsc2)c1 ZINC000072269822 401704906 /nfs/dbraw/zinc/70/49/06/401704906.db2.gz FEIVGFANEWZJRP-ZIAGYGMSSA-N 1 0 320.462 2.151 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000072298350 401707721 /nfs/dbraw/zinc/70/77/21/401707721.db2.gz NILAFZYGZMVKHO-NVXWUHKLSA-N 1 0 300.406 2.299 50 0 DEAARO COCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC000072295861 401707761 /nfs/dbraw/zinc/70/77/61/401707761.db2.gz QCXVCLNTMYUTGB-UHFFFAOYSA-N 1 0 306.450 2.357 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc2cc(NC(C)=O)ccc2[nH]1 ZINC000002503467 401714103 /nfs/dbraw/zinc/71/41/03/401714103.db2.gz VYJPUIZHELWREG-UHFFFAOYSA-N 1 0 316.405 2.198 50 0 DEAARO CN1CCN(C(=O)OCc2ccccc2)[C@H](C[NH+]2CCCC2)C1 ZINC000002580987 401715415 /nfs/dbraw/zinc/71/54/15/401715415.db2.gz MBIJGRWLFJPRJW-KRWDZBQOSA-N 1 0 317.433 2.035 50 0 DEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000013563463 401800623 /nfs/dbraw/zinc/80/06/23/401800623.db2.gz GQEOHGCTVBHLPM-OAHLLOKOSA-N 1 0 302.374 2.249 50 0 DEAARO Cc1noc(C)c1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000009156146 401759711 /nfs/dbraw/zinc/75/97/11/401759711.db2.gz QDCJLFLHNIEKPH-UHFFFAOYSA-N 1 0 314.389 2.296 50 0 DEAARO COCCNC(=O)c1cccc2[nH]cc(C[NH+]3CCCC3)c21 ZINC000075483544 401760408 /nfs/dbraw/zinc/76/04/08/401760408.db2.gz KUKODTMJAYLIIU-UHFFFAOYSA-N 1 0 301.390 2.140 50 0 DEAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H](C)COC)c(OC)c1 ZINC000009363895 401761447 /nfs/dbraw/zinc/76/14/47/401761447.db2.gz VQZCIAAAAFEKKS-FHTYSXSTSA-N 1 0 309.406 2.093 50 0 DEAARO CC[N@H+](CCO)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000009514636 401763575 /nfs/dbraw/zinc/76/35/75/401763575.db2.gz LNANMGAEWQKWLV-MRXNPFEDSA-N 1 0 309.450 2.346 50 0 DEAARO CN1CCN(C2CC[NH+](CCOc3ccc(F)cc3)CC2)C1=O ZINC000075603998 401764484 /nfs/dbraw/zinc/76/44/84/401764484.db2.gz WAMIWUJHKUXBBF-UHFFFAOYSA-N 1 0 321.396 2.036 50 0 DEAARO c1ccc(C[N@@H+]2CCC[C@H](Nc3ncnc4c3CCC4)C2)nc1 ZINC000075876985 401772416 /nfs/dbraw/zinc/77/24/16/401772416.db2.gz LQYYHTTTXSBWLW-HNNXBMFYSA-N 1 0 309.417 2.437 50 0 DEAARO CC(C)c1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1 ZINC000011392046 401774070 /nfs/dbraw/zinc/77/40/70/401774070.db2.gz TTZGLXPWCPCPFU-UHFFFAOYSA-N 1 0 317.418 2.495 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076052220 401779090 /nfs/dbraw/zinc/77/90/90/401779090.db2.gz ORNPLJWNJRRWIG-DLBZAZTESA-N 1 0 317.433 2.428 50 0 DEAARO O[C@H]1CCCN(c2ncccc2C[NH2+]C2CCSCC2)C1 ZINC000012469728 401786175 /nfs/dbraw/zinc/78/61/75/401786175.db2.gz UOUXJTYEDOWZCF-HNNXBMFYSA-N 1 0 307.463 2.028 50 0 DEAARO O=C(CCN1CCCO1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012584868 401788976 /nfs/dbraw/zinc/78/89/76/401788976.db2.gz CHLSCBLMOXZIJV-QGZVFWFLSA-N 1 0 323.481 2.175 50 0 DEAARO c1cc2c(ncnc2N2CC[NH+](CCOc3ccccc3)CC2)[nH]1 ZINC000077504615 401817566 /nfs/dbraw/zinc/81/75/66/401817566.db2.gz HVTCPOGXTRNZRB-UHFFFAOYSA-N 1 0 323.400 2.159 50 0 DEAARO Cc1ccc2nc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)cn2c1 ZINC000077520605 401818511 /nfs/dbraw/zinc/81/85/11/401818511.db2.gz RJDHKMOMINTHIP-OAHLLOKOSA-N 1 0 315.417 2.461 50 0 DEAARO CN1CC[NH+](C2(CNC(=O)c3ccccc3)CCCCC2)CC1 ZINC000019795676 401823011 /nfs/dbraw/zinc/82/30/11/401823011.db2.gz YWZWHSDJCVSRIS-UHFFFAOYSA-N 1 0 315.461 2.367 50 0 DEAARO c1cnc(N2CC[NH+](CCCc3nc4ccccc4[nH]3)CC2)nc1 ZINC000019774024 401823252 /nfs/dbraw/zinc/82/32/52/401823252.db2.gz NWOIAHOSWCFUCI-UHFFFAOYSA-N 1 0 322.416 2.108 50 0 DEAARO FC(F)(F)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000078404757 401850451 /nfs/dbraw/zinc/85/04/51/401850451.db2.gz SRADZMSMCYZJHB-GFCCVEGCSA-N 1 0 315.339 2.259 50 0 DEAARO COc1cc(C[NH2+][C@H]2CCN(C(C)C)C2)cc2c1OCCO2 ZINC000078553053 401855527 /nfs/dbraw/zinc/85/55/27/401855527.db2.gz UTMJJDUJKAZIPH-AWEZNQCLSA-N 1 0 306.406 2.039 50 0 DEAARO CCc1nn2c(nc(C[N@H+]3CCC[C@@H](CC)C3)cc2=O)s1 ZINC000030143895 401861107 /nfs/dbraw/zinc/86/11/07/401861107.db2.gz FVOHRMCVNWIJPZ-LLVKDONJSA-N 1 0 306.435 2.335 50 0 DEAARO CCc1nn2c(nc(C[N@H+]3CCC[C@H](CC)C3)cc2=O)s1 ZINC000030143897 401861159 /nfs/dbraw/zinc/86/11/59/401861159.db2.gz FVOHRMCVNWIJPZ-NSHDSACASA-N 1 0 306.435 2.335 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@H](C)Cn1ccnc1)O[C@@H](C)C2 ZINC000030909794 401867128 /nfs/dbraw/zinc/86/71/28/401867128.db2.gz OGILDRROQKYULC-OLZOCXBDSA-N 1 0 301.390 2.393 50 0 DEAARO C[NH+](C)C[C@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn21 ZINC000079096125 401870048 /nfs/dbraw/zinc/87/00/48/401870048.db2.gz ATYRULJCVFQAEB-OAHLLOKOSA-N 1 0 322.416 2.322 50 0 DEAARO CC(C)N(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000129986349 401814378 /nfs/dbraw/zinc/81/43/78/401814378.db2.gz OANBWSBLXPAJKT-UHFFFAOYSA-N 1 0 311.813 2.077 50 0 DEAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(C)o3)C2)CCC1=O ZINC000077457384 401815725 /nfs/dbraw/zinc/81/57/25/401815725.db2.gz FBCHXQAVKMUPCK-GOSISDBHSA-N 1 0 320.433 2.439 50 0 DEAARO CC(=O)Nc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000119089767 401925431 /nfs/dbraw/zinc/92/54/31/401925431.db2.gz RQFWNJVUJDEZHN-UHFFFAOYSA-N 1 0 315.417 2.089 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000032269686 401877682 /nfs/dbraw/zinc/87/76/82/401877682.db2.gz QCKIOSNAWILLPT-QGZVFWFLSA-N 1 0 318.461 2.437 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C(C)(C)CO ZINC000032682369 401881265 /nfs/dbraw/zinc/88/12/65/401881265.db2.gz NTFAXZBUDBIZAF-OAHLLOKOSA-N 1 0 309.450 2.393 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000032780830 401883314 /nfs/dbraw/zinc/88/33/14/401883314.db2.gz PEZKVKCGDVUYAX-SJLPKXTDSA-N 1 0 310.397 2.409 50 0 DEAARO COCC[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccccc1 ZINC000036096395 401902157 /nfs/dbraw/zinc/90/21/57/401902157.db2.gz OLRIDDGQJZWXBX-QGZVFWFLSA-N 1 0 319.401 2.306 50 0 DEAARO Cc1ccccc1CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000084677961 401908718 /nfs/dbraw/zinc/90/87/18/401908718.db2.gz XTNOHVHNXDQCRK-QGZVFWFLSA-N 1 0 301.434 2.417 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cc(C(C)C)nn1C ZINC000085532779 401917469 /nfs/dbraw/zinc/91/74/69/401917469.db2.gz LNNGOIIISREUMM-UHFFFAOYSA-N 1 0 301.394 2.089 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccsc1 ZINC000044909473 401950815 /nfs/dbraw/zinc/95/08/15/401950815.db2.gz IWHYLCYQZQUMJN-CQSZACIVSA-N 1 0 304.419 2.381 50 0 DEAARO Cc1ncc(C[N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)s1 ZINC000044978989 401953198 /nfs/dbraw/zinc/95/31/98/401953198.db2.gz OYIQMPRFJDIERB-UHFFFAOYSA-N 1 0 314.414 2.363 50 0 DEAARO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1 ZINC000089702120 401957996 /nfs/dbraw/zinc/95/79/96/401957996.db2.gz GFNACPUGTHWKQB-INIZCTEOSA-N 1 0 312.417 2.218 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000089937723 401975120 /nfs/dbraw/zinc/97/51/20/401975120.db2.gz ZRLNNPMCWPVLFF-RWCYGVJQSA-N 1 0 313.195 2.218 50 0 DEAARO C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1c1nccs1 ZINC000095351853 402026338 /nfs/dbraw/zinc/02/63/38/402026338.db2.gz FKOUHKPIBCLEPK-ZDUSSCGKSA-N 1 0 322.478 2.103 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000050245673 402026784 /nfs/dbraw/zinc/02/67/84/402026784.db2.gz SXQGQZDNEUYUAN-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO COCC[N@@H+]1CC[C@@H](c2ncnn2-c2ccc(SC)cc2)C1 ZINC000095362998 402028276 /nfs/dbraw/zinc/02/82/76/402028276.db2.gz XLLYMSFGHIFKBT-CYBMUJFWSA-N 1 0 318.446 2.425 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@H](C)c2nncn2C(C)C)CC1 ZINC000095367005 402028287 /nfs/dbraw/zinc/02/82/87/402028287.db2.gz MEICPUMODZOWCY-CYBMUJFWSA-N 1 0 307.442 2.158 50 0 DEAARO CCN1CC2(CC[NH+](CCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095369607 402029169 /nfs/dbraw/zinc/02/91/69/402029169.db2.gz VYRVKKFYCDFIQR-KRWDZBQOSA-N 1 0 316.445 2.097 50 0 DEAARO CC[N@@H+]1CC[C@H](Cn2ccc3ccc(C(=O)OC)cc3c2=O)C1 ZINC000095380789 402030366 /nfs/dbraw/zinc/03/03/66/402030366.db2.gz HKXXTWJMHGRROO-ZDUSSCGKSA-N 1 0 314.385 2.130 50 0 DEAARO CC[N@@H+]1CC[C@@H](Cn2ccc3ccc(C(=O)OC)cc3c2=O)C1 ZINC000095380790 402030515 /nfs/dbraw/zinc/03/05/15/402030515.db2.gz HKXXTWJMHGRROO-CYBMUJFWSA-N 1 0 314.385 2.130 50 0 DEAARO Cc1cnc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cn1 ZINC000095380145 402030519 /nfs/dbraw/zinc/03/05/19/402030519.db2.gz VHXXLZHQUVRMGO-HZPDHXFCSA-N 1 0 314.433 2.122 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000095385516 402031050 /nfs/dbraw/zinc/03/10/50/402031050.db2.gz VXHPCPYUYJTKDZ-MRXNPFEDSA-N 1 0 308.397 2.097 50 0 DEAARO CC[C@H]1[C@H](c2ccc(C)cc2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000095404906 402031812 /nfs/dbraw/zinc/03/18/12/402031812.db2.gz SZEQHNXGXCSYTD-HOTGVXAUSA-N 1 0 315.417 2.115 50 0 DEAARO CCOC(=O)C(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000095447537 402033038 /nfs/dbraw/zinc/03/30/38/402033038.db2.gz UELXUGTUJKHCNU-CYBMUJFWSA-N 1 0 310.438 2.051 50 0 DEAARO CC(=O)N1CCC[N@H+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095507387 402033754 /nfs/dbraw/zinc/03/37/54/402033754.db2.gz VSACXLDCHYXEOB-MRXNPFEDSA-N 1 0 302.418 2.182 50 0 DEAARO Cc1cccn2c(=O)cc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)nc12 ZINC000095946098 402035859 /nfs/dbraw/zinc/03/58/59/402035859.db2.gz KVPKGQJJEQEUHD-AWEZNQCLSA-N 1 0 315.417 2.439 50 0 DEAARO Cc1noc(C)c1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000095953310 402036161 /nfs/dbraw/zinc/03/61/61/402036161.db2.gz LADKTJJEFHLSAO-OAHLLOKOSA-N 1 0 320.437 2.451 50 0 DEAARO CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000095963219 402037499 /nfs/dbraw/zinc/03/74/99/402037499.db2.gz FYBYKJQQYLWPGM-QGZVFWFLSA-N 1 0 319.449 2.357 50 0 DEAARO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000095971468 402039001 /nfs/dbraw/zinc/03/90/01/402039001.db2.gz RYTMJWRTFQGKRT-OAHLLOKOSA-N 1 0 320.396 2.459 50 0 DEAARO CC1CC[NH+](C[C@H](O)COc2cccc(-n3ccnc3)c2)CC1 ZINC000095974937 402039912 /nfs/dbraw/zinc/03/99/12/402039912.db2.gz XEQDENHFZZQZAV-KRWDZBQOSA-N 1 0 315.417 2.344 50 0 DEAARO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CO ZINC000095978110 402041139 /nfs/dbraw/zinc/04/11/39/402041139.db2.gz DEMLFDMUUSCLKY-JTQLQIEISA-N 1 0 324.222 2.414 50 0 DEAARO c1cc2c(cccc2C[NH2+]C[C@@H]2COC3(CCOCC3)O2)[nH]1 ZINC000095991129 402043806 /nfs/dbraw/zinc/04/38/06/402043806.db2.gz GGCOAKLWBJHUHY-CQSZACIVSA-N 1 0 302.374 2.180 50 0 DEAARO Fc1cccnc1N1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000095990150 402044059 /nfs/dbraw/zinc/04/40/59/402044059.db2.gz DMKJLNPJLIDEIY-AWEZNQCLSA-N 1 0 311.364 2.466 50 0 DEAARO CC(C)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccn1 ZINC000052832909 402047305 /nfs/dbraw/zinc/04/73/05/402047305.db2.gz VZGBWSJGHOBTMY-UHFFFAOYSA-N 1 0 318.421 2.013 50 0 DEAARO C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C(=O)N(C)C ZINC000048713035 402006855 /nfs/dbraw/zinc/00/68/55/402006855.db2.gz KUEBQHDLTRUFQQ-NSHDSACASA-N 1 0 306.797 2.092 50 0 DEAARO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000097238517 402119965 /nfs/dbraw/zinc/11/99/65/402119965.db2.gz QNCDNLMZDLPLEN-HYVNUMGLSA-N 1 0 304.434 2.347 50 0 DEAARO Cc1cc(C[C@@H](C)NC(=O)CC[NH+]2CCCCCCC2)[nH]n1 ZINC000055054618 402074670 /nfs/dbraw/zinc/07/46/70/402074670.db2.gz KFPMUCHRXCSBIY-CQSZACIVSA-N 1 0 306.454 2.422 50 0 DEAARO O=C(Nc1nncs1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000055384016 402081262 /nfs/dbraw/zinc/08/12/62/402081262.db2.gz BUDLJVJKDKNGDW-UHFFFAOYSA-N 1 0 309.439 2.410 50 0 DEAARO Cc1cccnc1[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)C(C)C ZINC000096424385 402083198 /nfs/dbraw/zinc/08/31/98/402083198.db2.gz HAYMZDQLXWFTIF-HRCADAONSA-N 1 0 319.449 2.360 50 0 DEAARO OCC1CC[NH+](CCNc2ncnc3cc(F)c(F)cc32)CC1 ZINC000096429458 402084661 /nfs/dbraw/zinc/08/46/61/402084661.db2.gz DNYJRNXDCDENRM-UHFFFAOYSA-N 1 0 322.359 2.024 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000122577610 402084869 /nfs/dbraw/zinc/08/48/69/402084869.db2.gz FUNCCQWGUGTOGB-GFCCVEGCSA-N 1 0 315.186 2.412 50 0 DEAARO FC(F)(F)c1cccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000096429716 402085232 /nfs/dbraw/zinc/08/52/32/402085232.db2.gz RRZBTZCMHVSIPP-LBPRGKRZSA-N 1 0 315.339 2.259 50 0 DEAARO CSC[C@@H](C)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000096449722 402089988 /nfs/dbraw/zinc/08/99/88/402089988.db2.gz XLYHFZXKTCHTCU-KGLIPLIRSA-N 1 0 314.495 2.135 50 0 DEAARO Cc1ncccc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000096451688 402090360 /nfs/dbraw/zinc/09/03/60/402090360.db2.gz PUXKNAXYRJCRMO-UHFFFAOYSA-N 1 0 301.365 2.391 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccn(CC(F)F)n2)C1 ZINC000096452285 402090384 /nfs/dbraw/zinc/09/03/84/402090384.db2.gz UTJYTASMBOCXEC-NSHDSACASA-N 1 0 315.368 2.096 50 0 DEAARO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C=C(C)C)C2)cc(OC)c1 ZINC000096461632 402091946 /nfs/dbraw/zinc/09/19/46/402091946.db2.gz JOELSOAITUNBAG-HNNXBMFYSA-N 1 0 318.417 2.361 50 0 DEAARO C[C@H](Cc1nc2ccccc2s1)[NH2+][C@@H](C)Cn1cncn1 ZINC000096476759 402093636 /nfs/dbraw/zinc/09/36/36/402093636.db2.gz BJZUJFNVFBGQSE-NEPJUHHUSA-N 1 0 301.419 2.497 50 0 DEAARO CSC[C@](C)(O)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000096478064 402094084 /nfs/dbraw/zinc/09/40/84/402094084.db2.gz UYYDVFOUAAFZAJ-IAGOWNOFSA-N 1 0 308.491 2.355 50 0 DEAARO CC[C@H](C)Oc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000096495035 402096345 /nfs/dbraw/zinc/09/63/45/402096345.db2.gz DRGAGJKNOGQFOO-KBPBESRZSA-N 1 0 305.422 2.283 50 0 DEAARO CCOC(=O)c1ccc(C[NH2+][C@H]2CCc3nc(C)cn3C2)o1 ZINC000097034404 402100647 /nfs/dbraw/zinc/10/06/47/402100647.db2.gz FVGBXYIRKZGVEQ-LBPRGKRZSA-N 1 0 303.362 2.066 50 0 DEAARO NC(=O)[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000058370676 402100875 /nfs/dbraw/zinc/10/08/75/402100875.db2.gz ASVVDNBUZYRCPE-KRWDZBQOSA-N 1 0 324.380 2.263 50 0 DEAARO Cn1cc(CN(CC[NH3+])c2cccc(Br)c2)cn1 ZINC000097048930 402102960 /nfs/dbraw/zinc/10/29/60/402102960.db2.gz NBSMTPXPDPSZPG-UHFFFAOYSA-N 1 0 309.211 2.148 50 0 DEAARO C[C@]([NH3+])(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CC1 ZINC000097049377 402103065 /nfs/dbraw/zinc/10/30/65/402103065.db2.gz UOEKVXPCMCOXSA-GOEBONIOSA-N 1 0 308.809 2.447 50 0 DEAARO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000097092801 402106408 /nfs/dbraw/zinc/10/64/08/402106408.db2.gz YISJUXSNYPUJRW-OLZOCXBDSA-N 1 0 307.825 2.116 50 0 DEAARO NC(=O)C1(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCOCC1 ZINC000097108507 402108508 /nfs/dbraw/zinc/10/85/08/402108508.db2.gz OTTULCCVMYCTEN-UHFFFAOYSA-N 1 0 322.836 2.458 50 0 DEAARO NC(=O)[C@H]1CCCN1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000097140496 402110571 /nfs/dbraw/zinc/11/05/71/402110571.db2.gz BEJCTTZCKBPZNS-QGZVFWFLSA-N 1 0 307.482 2.371 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnn(C)c1 ZINC000097142396 402111055 /nfs/dbraw/zinc/11/10/55/402111055.db2.gz XTJMYMKHHLVKSL-CJNGLKHVSA-N 1 0 313.405 2.062 50 0 DEAARO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)n1 ZINC000097200939 402115774 /nfs/dbraw/zinc/11/57/74/402115774.db2.gz PYQBTUCDWHVHQH-INIZCTEOSA-N 1 0 324.428 2.423 50 0 DEAARO Cc1cnc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000054226302 402064682 /nfs/dbraw/zinc/06/46/82/402064682.db2.gz DEKKXAGVKYBSNL-HOCLYGCPSA-N 1 0 310.401 2.350 50 0 DEAARO Cc1ccc2c(C[NH+]3CCC4(CC3)OCCO4)cc(=O)oc2c1 ZINC000054219982 402064758 /nfs/dbraw/zinc/06/47/58/402064758.db2.gz XKWBPKZMTUZHCK-UHFFFAOYSA-N 1 0 315.369 2.440 50 0 biogenic DEAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)C1CCOCC1 ZINC000097475459 402125650 /nfs/dbraw/zinc/12/56/50/402125650.db2.gz XLXXOBRVRFBPAE-KRWDZBQOSA-N 1 0 317.433 2.151 50 0 DEAARO Cc1ccc([C@H](CNC(=O)c2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000097776286 402132188 /nfs/dbraw/zinc/13/21/88/402132188.db2.gz ADRBKJKQZOJZPG-AWEZNQCLSA-N 1 0 320.824 2.415 50 0 DEAARO COc1ccc(CC[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000066561724 402135751 /nfs/dbraw/zinc/13/57/51/402135751.db2.gz QDUXBZGDRKZUFN-INIZCTEOSA-N 1 0 318.461 2.423 50 0 DEAARO COCC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)CCC1 ZINC000097413311 402124331 /nfs/dbraw/zinc/12/43/31/402124331.db2.gz OVNPRYSHPBICAS-HNNXBMFYSA-N 1 0 320.433 2.425 50 0 DEAARO CCCNC(=O)c1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nc1 ZINC000067920059 402178783 /nfs/dbraw/zinc/17/87/83/402178783.db2.gz TYNYSPXPXMKVOQ-CQSZACIVSA-N 1 0 311.385 2.151 50 0 DEAARO C[NH+]1CCC(Cc2noc(-c3ccccc3-c3nc[nH]n3)n2)CC1 ZINC000067946980 402179930 /nfs/dbraw/zinc/17/99/30/402179930.db2.gz COMBGBNRDGUOQC-UHFFFAOYSA-N 1 0 324.388 2.406 50 0 DEAARO CC(C)([NH3+])C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067955287 402180475 /nfs/dbraw/zinc/18/04/75/402180475.db2.gz CHIIAJXPOZGKJV-DLBZAZTESA-N 1 0 312.413 2.254 50 0 DEAARO O[C@H](C[NH2+]Cc1ccccc1F)COc1ccc2c(c1)OCO2 ZINC000067976025 402181673 /nfs/dbraw/zinc/18/16/73/402181673.db2.gz WSKPFHGJCWSHKO-CYBMUJFWSA-N 1 0 319.332 2.084 50 0 DEAARO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000153969815 402184474 /nfs/dbraw/zinc/18/44/74/402184474.db2.gz YBHKFVOWTLRMCG-GASCZTMLSA-N 1 0 301.434 2.418 50 0 DEAARO CN1CCC[C@]2(CC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)C2)C1=O ZINC000067433989 402158994 /nfs/dbraw/zinc/15/89/94/402158994.db2.gz YLGZAKJJCGHXKY-QGZVFWFLSA-N 1 0 304.438 2.152 50 0 DEAARO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000067561072 402162645 /nfs/dbraw/zinc/16/26/45/402162645.db2.gz AAXWGBAOVFYYTN-GFCCVEGCSA-N 1 0 323.824 2.370 50 0 DEAARO C(NC1CCC2(CC[NH2+]CC2)CC1)c1noc([C@H]2CCCO2)n1 ZINC000067676079 402167328 /nfs/dbraw/zinc/16/73/28/402167328.db2.gz BXJUUIKWYYWNOM-CQSZACIVSA-N 1 0 320.437 2.323 50 0 DEAARO COC(=O)N1C[C@H]2[C@H](C[N@H+](C)C3Cc4ccccc4C3)[C@H]2C1 ZINC000102480214 402167730 /nfs/dbraw/zinc/16/77/30/402167730.db2.gz PMBCNDUDMGLDEU-OSYLJGHBSA-N 1 0 300.402 2.030 50 0 DEAARO CN(CCC[NH+](C)C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000067696788 402168470 /nfs/dbraw/zinc/16/84/70/402168470.db2.gz JEGSMHJAOLPLCG-UHFFFAOYSA-N 1 0 316.405 2.012 50 0 DEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@H](C)Cn2ccnc2)n1 ZINC000067756579 402171895 /nfs/dbraw/zinc/17/18/95/402171895.db2.gz GJLITIDAHLDKSE-LLVKDONJSA-N 1 0 313.327 2.221 50 0 DEAARO CNc1ncccc1C(=O)N1CCCC2(CC[NH+](C)CC2)CC1 ZINC000067757543 402171925 /nfs/dbraw/zinc/17/19/25/402171925.db2.gz QYWJAIAANUAPFJ-UHFFFAOYSA-N 1 0 316.449 2.461 50 0 DEAARO C[C@@H]([NH3+])C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067833468 402174203 /nfs/dbraw/zinc/17/42/03/402174203.db2.gz HMMMMYPXCWGUDW-LLVKDONJSA-N 1 0 316.380 2.269 50 0 DEAARO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000067856399 402175736 /nfs/dbraw/zinc/17/57/36/402175736.db2.gz RMZLJRDRKSOPPH-NSHDSACASA-N 1 0 301.325 2.251 50 0 DEAARO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCC2OCCO2)CC1 ZINC000125161641 402216773 /nfs/dbraw/zinc/21/67/73/402216773.db2.gz DECZEKQKRGDDPP-AWEZNQCLSA-N 1 0 308.397 2.267 50 0 DEAARO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](C(N)=O)C3)n2)cc1F ZINC000106824370 402217010 /nfs/dbraw/zinc/21/70/10/402217010.db2.gz YICDXRLCZJCXNL-ZYHUDNBSSA-N 1 0 318.352 2.052 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000069371158 402220651 /nfs/dbraw/zinc/22/06/51/402220651.db2.gz VHMIXDHMKFDRPA-NSHDSACASA-N 1 0 317.202 2.008 50 0 DEAARO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H](C)n1cccn1 ZINC000069437985 402223589 /nfs/dbraw/zinc/22/35/89/402223589.db2.gz JSKQWZKLIRPAHL-HZPDHXFCSA-N 1 0 314.433 2.459 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1ccccc1N1CCOCC1)n1cccn1 ZINC000069437982 402223789 /nfs/dbraw/zinc/22/37/89/402223789.db2.gz JSKQWZKLIRPAHL-JKSUJKDBSA-N 1 0 314.433 2.459 50 0 DEAARO COc1cc(C[N@H+](C)CCN2CCOC2=O)ccc1SC ZINC000069456037 402224802 /nfs/dbraw/zinc/22/48/02/402224802.db2.gz UUBSHSYJUWSMLC-UHFFFAOYSA-N 1 0 310.419 2.301 50 0 DEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2cccs2)cn1 ZINC000069625532 402234942 /nfs/dbraw/zinc/23/49/42/402234942.db2.gz HKTJJFWMHJXTSK-GOEBONIOSA-N 1 0 321.446 2.196 50 0 DEAARO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)NC1CCCC1)C2 ZINC000069625010 402235058 /nfs/dbraw/zinc/23/50/58/402235058.db2.gz MGMWZAPFRAXQOV-UHFFFAOYSA-N 1 0 318.465 2.351 50 0 DEAARO CCOCC[N@@H+]1CCN(c2nn3cc(C)nc3s2)C[C@@H]1CC ZINC000069698082 402239228 /nfs/dbraw/zinc/23/92/28/402239228.db2.gz JPURLTBTRBXNBH-ZDUSSCGKSA-N 1 0 323.466 2.036 50 0 DEAARO CCc1nc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cs1 ZINC000069737539 402241139 /nfs/dbraw/zinc/24/11/39/402241139.db2.gz ZNBGPMCWMGPQNO-LBPRGKRZSA-N 1 0 303.435 2.254 50 0 DEAARO c1nc2n(n1)C[C@@H]([NH2+]CCOc1ccc3ccccc3c1)CC2 ZINC000069740387 402241844 /nfs/dbraw/zinc/24/18/44/402241844.db2.gz SIHINIBAHRMQEH-INIZCTEOSA-N 1 0 308.385 2.415 50 0 DEAARO CCCCC(=O)Nc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000069741806 402242665 /nfs/dbraw/zinc/24/26/65/402242665.db2.gz BCFZQHSFWRTPKX-UHFFFAOYSA-N 1 0 319.449 2.442 50 0 DEAARO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000069810632 402244950 /nfs/dbraw/zinc/24/49/50/402244950.db2.gz ZITQVLQCBLJUNQ-GFCCVEGCSA-N 1 0 314.476 2.352 50 0 DEAARO C[C@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000108123505 402246699 /nfs/dbraw/zinc/24/66/99/402246699.db2.gz WPUVSQCGQQWGMJ-GRYCIOLGSA-N 1 0 316.409 2.010 50 0 DEAARO c1cc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)ccn1 ZINC000069843618 402247154 /nfs/dbraw/zinc/24/71/54/402247154.db2.gz DQFZNBLCKDDBIB-OAHLLOKOSA-N 1 0 313.405 2.096 50 0 DEAARO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000069879237 402249090 /nfs/dbraw/zinc/24/90/90/402249090.db2.gz FCWHRQJFIOYQKG-MRXNPFEDSA-N 1 0 313.445 2.411 50 0 DEAARO C[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCSC1 ZINC000108363532 402251477 /nfs/dbraw/zinc/25/14/77/402251477.db2.gz JRMSGXNSHUCWAL-QWHCGFSZSA-N 1 0 306.431 2.345 50 0 DEAARO C[N@H+](Cc1cn2ccccc2n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069951418 402253032 /nfs/dbraw/zinc/25/30/32/402253032.db2.gz VLOZOBKSEIFAKF-MRXNPFEDSA-N 1 0 322.416 2.225 50 0 DEAARO Cc1noc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000108470169 402254079 /nfs/dbraw/zinc/25/40/79/402254079.db2.gz REPDTAOCXFZPQH-RWMBFGLXSA-N 1 0 322.409 2.113 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000070173590 402258273 /nfs/dbraw/zinc/25/82/73/402258273.db2.gz VGWDWRJGCNZLNI-ZJUUUORDSA-N 1 0 320.817 2.227 50 0 DEAARO CCSc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000068756498 402204867 /nfs/dbraw/zinc/20/48/67/402204867.db2.gz RBZKCWZFROILEL-UHFFFAOYSA-N 1 0 305.447 2.361 50 0 DEAARO Cn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000225790946 402323961 /nfs/dbraw/zinc/32/39/61/402323961.db2.gz IUPSNGGSYARCQW-AWEZNQCLSA-N 1 0 306.797 2.106 50 0 DEAARO Cc1cccn2c(=O)cc(C[N@H+](C)C[C@@H]3CCCCO3)nc12 ZINC000071821818 402282633 /nfs/dbraw/zinc/28/26/33/402282633.db2.gz IRICAPYBALWTPW-HNNXBMFYSA-N 1 0 301.390 2.004 50 0 DEAARO CCCn1ccnc1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000215407624 402283106 /nfs/dbraw/zinc/28/31/06/402283106.db2.gz KCAFCOQYNILGNN-UHFFFAOYSA-N 1 0 313.449 2.396 50 0 DEAARO CC[N@H+](Cc1ccccc1OC(F)(F)F)[C@H]1COC[C@@H]1O ZINC000215394355 402283366 /nfs/dbraw/zinc/28/33/66/402283366.db2.gz YDUWFSATXXFLJT-RYUDHWBXSA-N 1 0 305.296 2.167 50 0 DEAARO C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)n1cnc2ccccc21 ZINC000071829920 402284581 /nfs/dbraw/zinc/28/45/81/402284581.db2.gz IMFRFIAQSKHTBN-CQSZACIVSA-N 1 0 312.417 2.152 50 0 DEAARO O=C(Cc1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839771 402287027 /nfs/dbraw/zinc/28/70/27/402287027.db2.gz YCNNMAHIBPDCNO-SFHVURJKSA-N 1 0 324.428 2.112 50 0 DEAARO CC(=O)c1cc(CN2CCC(O)(c3cccnc3)CC2)n(C)c1 ZINC000216234596 402287764 /nfs/dbraw/zinc/28/77/64/402287764.db2.gz JRUGVSYRYYTYNM-UHFFFAOYSA-N 1 0 313.401 2.106 50 0 DEAARO COCCn1ccnc1CN(C)Cc1noc2c1CCCC2 ZINC000216528205 402289236 /nfs/dbraw/zinc/28/92/36/402289236.db2.gz ABBRAQGWPKOBQK-UHFFFAOYSA-N 1 0 304.394 2.028 50 0 DEAARO Cc1cc(CN(C)c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)on1 ZINC000220329035 402301491 /nfs/dbraw/zinc/30/14/91/402301491.db2.gz OTPRMDJIZHCGJV-UHFFFAOYSA-N 1 0 313.405 2.492 50 0 DEAARO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000158186462 402303558 /nfs/dbraw/zinc/30/35/58/402303558.db2.gz BXHRHPMTANVJQC-GFCCVEGCSA-N 1 0 300.406 2.109 50 0 DEAARO NC(=O)c1ncn([C@H]2CCC[N@H+](CCCC3CCCCC3)C2)n1 ZINC000225423418 402317048 /nfs/dbraw/zinc/31/70/48/402317048.db2.gz MRSWRDSPTPMGET-HNNXBMFYSA-N 1 0 319.453 2.374 50 0 DEAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cncn3C)C2)CC1 ZINC000225473614 402318309 /nfs/dbraw/zinc/31/83/09/402318309.db2.gz YKVKYLVGWSIPJO-OAHLLOKOSA-N 1 0 304.438 2.004 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccoc1Br)C1CC1 ZINC000225547143 402320996 /nfs/dbraw/zinc/32/09/96/402320996.db2.gz ZIYWWHVEHRCMHK-JTQLQIEISA-N 1 0 301.184 2.112 50 0 DEAARO O=C(NCCCOCc1ccco1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229165029 402341229 /nfs/dbraw/zinc/34/12/29/402341229.db2.gz DAPLLRNSYSNNPA-HOTGVXAUSA-N 1 0 321.421 2.112 50 0 DEAARO C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000229384244 402342861 /nfs/dbraw/zinc/34/28/61/402342861.db2.gz LMQVLCJRXGUNNF-RYUDHWBXSA-N 1 0 301.394 2.306 50 0 DEAARO O=C(CN1CCO[C@@H]2CCC[C@H]21)NCCCOC1CCCCC1 ZINC000230082151 402347462 /nfs/dbraw/zinc/34/74/62/402347462.db2.gz BSZHVOSSHOFTOC-IAGOWNOFSA-N 1 0 324.465 2.095 50 0 DEAARO CN1CCO[C@H]2C[N@H+](CCCSCc3ccccc3)C[C@H]21 ZINC000230125550 402348028 /nfs/dbraw/zinc/34/80/28/402348028.db2.gz MYHIROVKOTYTLX-SJORKVTESA-N 1 0 306.475 2.325 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000227187887 402331375 /nfs/dbraw/zinc/33/13/75/402331375.db2.gz BLOMDXSUJSPZMO-CMPLNLGQSA-N 1 0 302.465 2.113 50 0 DEAARO COc1cc(NC(=O)CC[N@@H+]2CCCO[C@@H](C)C2)cc(OC)c1 ZINC000244795285 402449395 /nfs/dbraw/zinc/44/93/95/402449395.db2.gz RDGDZCZYATTYMU-ZDUSSCGKSA-N 1 0 322.405 2.143 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000237459753 402408981 /nfs/dbraw/zinc/40/89/81/402408981.db2.gz HUKNBFBIFWFDSQ-WFASDCNBSA-N 1 0 319.430 2.125 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237952103 402427677 /nfs/dbraw/zinc/42/76/77/402427677.db2.gz NCDOEVSLUKAPTI-NSHDSACASA-N 1 0 302.296 2.077 50 0 DEAARO COc1cc(C[N@H+](CC2CCC2)[C@H](C)CO)cc2c1OCO2 ZINC000241969510 402443965 /nfs/dbraw/zinc/44/39/65/402443965.db2.gz 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402471272 /nfs/dbraw/zinc/47/12/72/402471272.db2.gz OBPNACNTRMXPIV-AWEZNQCLSA-N 1 0 306.410 2.074 50 0 DEAARO COC(=O)[C@@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000245679329 402478667 /nfs/dbraw/zinc/47/86/67/402478667.db2.gz OWQGNCBOFYYBPS-SJORKVTESA-N 1 0 302.418 2.071 50 0 DEAARO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000170070599 402502854 /nfs/dbraw/zinc/50/28/54/402502854.db2.gz FMZFHLTYTCVINS-NEPJUHHUSA-N 1 0 307.463 2.465 50 0 DEAARO CC(C)C(=O)N[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000170621632 402508311 /nfs/dbraw/zinc/50/83/11/402508311.db2.gz SVHMEHQHAMIKMQ-IVZQSRNASA-N 1 0 322.474 2.031 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)C1 ZINC000178995795 402562942 /nfs/dbraw/zinc/56/29/42/402562942.db2.gz IIIJBEZGPVQTRF-QWHCGFSZSA-N 1 0 310.825 2.484 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000247446757 402567634 /nfs/dbraw/zinc/56/76/34/402567634.db2.gz YIJUTPILDQOKMF-BPNCWPANSA-N 1 0 323.234 2.360 50 0 DEAARO C[N@H+](CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Cc1ccc(F)cc1 ZINC000189182584 402531753 /nfs/dbraw/zinc/53/17/53/402531753.db2.gz HJVWXLDBCAUEBT-HOTGVXAUSA-N 1 0 316.376 2.209 50 0 DEAARO Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000248152406 402584278 /nfs/dbraw/zinc/58/42/78/402584278.db2.gz UOSHLWYPZBHJMI-NILFDRSVSA-N 1 0 305.422 2.480 50 0 DEAARO Cc1cc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)sc1C ZINC000252535782 402658571 /nfs/dbraw/zinc/65/85/71/402658571.db2.gz GWDIVHXTOPPVJY-IIAWOOMASA-N 1 0 322.474 2.234 50 0 DEAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(C2OCCO2)s1 ZINC000252552125 402659095 /nfs/dbraw/zinc/65/90/95/402659095.db2.gz UPFCETCNEOSHGJ-OLZOCXBDSA-N 1 0 323.462 2.247 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc(OC)c1F ZINC000252483432 402654896 /nfs/dbraw/zinc/65/48/96/402654896.db2.gz FBNVARZQIDFMNS-AWEZNQCLSA-N 1 0 308.397 2.367 50 0 DEAARO COC[C@@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000252505795 402657074 /nfs/dbraw/zinc/65/70/74/402657074.db2.gz VTTFIGFVMMOVOD-CQSZACIVSA-N 1 0 320.433 2.058 50 0 DEAARO Cc1c(C(=O)N2CCC[C@@H]([NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000191349274 402663162 /nfs/dbraw/zinc/66/31/62/402663162.db2.gz WKULSVDRDDSODR-CYBMUJFWSA-N 1 0 318.808 2.397 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 ZINC000253603902 402669765 /nfs/dbraw/zinc/66/97/65/402669765.db2.gz OZNXXZGFLBYEPP-HOTGVXAUSA-N 1 0 304.438 2.057 50 0 DEAARO c1c(COc2ccc3c(c2)CCC3)nnn1C[C@H]1CCC[NH2+]C1 ZINC000257179453 402700693 /nfs/dbraw/zinc/70/06/93/402700693.db2.gz CQUKYHJBEYGINN-AWEZNQCLSA-N 1 0 312.417 2.345 50 0 DEAARO CCn1ncc(C(=O)NCCn2c(C)c[nH+]c2C2CC2)c1C ZINC000257180691 402700698 /nfs/dbraw/zinc/70/06/98/402700698.db2.gz DUZMXQXDDOXQGN-UHFFFAOYSA-N 1 0 301.394 2.024 50 0 DEAARO COC1CCC([NH2+]CCCN2C(=O)COc3ccccc32)CC1 ZINC000183158666 402743979 /nfs/dbraw/zinc/74/39/79/402743979.db2.gz QKLKIEXMISIVOA-UHFFFAOYSA-N 1 0 318.417 2.349 50 0 DEAARO O=C(NCc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000263640033 402785451 /nfs/dbraw/zinc/78/54/51/402785451.db2.gz UJFHMHHDHFECRK-VIFPVBQESA-N 1 0 307.703 2.122 50 0 DEAARO CCn1nc(C)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1C ZINC000331120315 403333095 /nfs/dbraw/zinc/33/30/95/403333095.db2.gz AVCGTWKJCSPXST-UHFFFAOYSA-N 1 0 315.421 2.353 50 0 DEAARO Cc1ccc(-n2cc(NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)cn2)c(C)c1 ZINC000332180777 403507057 /nfs/dbraw/zinc/50/70/57/403507057.db2.gz NPPJVFNJRLNOEN-ZFWWWQNUSA-N 1 0 313.405 2.443 50 0 DEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cccs3)cc2C1 ZINC000299769441 403569020 /nfs/dbraw/zinc/56/90/20/403569020.db2.gz NLHIWCYVULCPBU-UHFFFAOYSA-N 1 0 318.446 2.490 50 0 DEAARO Cc1ccc(OCC[NH3+])c(C(=O)NCCCc2nccs2)c1 ZINC000299772432 403570916 /nfs/dbraw/zinc/57/09/16/403570916.db2.gz XMMVKBXUOZKXHC-UHFFFAOYSA-N 1 0 319.430 2.152 50 0 DEAARO Cc1nc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)s1 ZINC000299775550 403571551 /nfs/dbraw/zinc/57/15/51/403571551.db2.gz DTFBAHRZIDXPGD-CQSZACIVSA-N 1 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MQQRJRXHGOPZLS-MRVPVSSYSA-N 1 0 314.315 2.079 50 0 DEAARO CC[C@H](C)NC(=O)CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575430473 406810296 /nfs/dbraw/zinc/81/02/96/406810296.db2.gz DWNGXTITRATIIU-IRXDYDNUSA-N 1 0 307.482 2.408 50 0 DEAARO COc1ccc2[nH]c(C(=O)N3CC(n4ccnc4C)C3)cc2c1 ZINC000575548860 406811849 /nfs/dbraw/zinc/81/18/49/406811849.db2.gz GXNZYRMUYCTJFZ-UHFFFAOYSA-N 1 0 310.357 2.379 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000241644588 225216682 /nfs/dbraw/zinc/21/66/82/225216682.db2.gz PRYZOVNOQAIBFH-CJNGLKHVSA-N 1 0 320.458 2.033 50 0 DEAARO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249823859 225245172 /nfs/dbraw/zinc/24/51/72/225245172.db2.gz IJCLQIGYTURSIS-JSGCOSHPSA-N 1 0 308.809 2.414 50 0 DEAARO CN(C(=O)c1cccnc1Nc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000299740228 229374009 /nfs/dbraw/zinc/37/40/09/229374009.db2.gz XGILITYUYUVYNB-AWEZNQCLSA-N 1 0 314.364 2.398 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000299747623 229389813 /nfs/dbraw/zinc/38/98/13/229389813.db2.gz DKZVVRJIPFRDOY-IOASZLSFSA-N 1 0 324.371 2.382 50 0 DEAARO CCN1CCC(CNc2cc(C3CC3)ncn2)([NH+](C)C)CC1 ZINC000534673120 421695269 /nfs/dbraw/zinc/69/52/69/421695269.db2.gz FBUMBYGODOPFSA-UHFFFAOYSA-N 1 0 303.454 2.182 50 0 DEAARO CC1(C)CC(NC(=S)NC(=O)c2ccco2)CC(C)(C)[NH2+]1 ZINC000003225749 262532348 /nfs/dbraw/zinc/53/23/48/262532348.db2.gz BQZGJFRRPOBRSS-UHFFFAOYSA-N 1 0 309.435 2.193 50 0 DEAARO Cn1c(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc2cc(F)ccc21 ZINC000091270344 262545263 /nfs/dbraw/zinc/54/52/63/262545263.db2.gz SCQFEITXUZRUGU-KGLIPLIRSA-N 1 0 301.365 2.127 50 0 DEAARO Cc1cc(C)c(NC(=O)C[N@H+](C)CCCn2cncn2)c(C)c1 ZINC000048334026 424833183 /nfs/dbraw/zinc/83/31/83/424833183.db2.gz HWQKTVSMFIHUEW-UHFFFAOYSA-N 1 0 315.421 2.164 50 0 DEAARO COc1ccc2cc(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)ccc2c1 ZINC000044862903 424813767 /nfs/dbraw/zinc/81/37/67/424813767.db2.gz VMOFTDLOMMDIBY-AWEZNQCLSA-N 1 0 319.426 2.373 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000108368263 424851085 /nfs/dbraw/zinc/85/10/85/424851085.db2.gz DEXSYIVQVAQZQK-UKRRQHHQSA-N 1 0 312.417 2.471 50 0 DEAARO CCN1C(=O)C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1=O ZINC000004784487 273649044 /nfs/dbraw/zinc/64/90/44/273649044.db2.gz CCANMQPYIPZYTG-OAHLLOKOSA-N 1 0 304.365 2.153 50 0 DEAARO CCn1nc(C)c2nc(C(C)C)nc(N3CC[NH+](CC)CC3)c21 ZINC000072238346 273782539 /nfs/dbraw/zinc/78/25/39/273782539.db2.gz YUJDWFPDKSYPST-UHFFFAOYSA-N 1 0 316.453 2.420 50 0 DEAARO CN1CCN(C(=O)CC2CC[NH+](C)CC2)Cc2ccccc21 ZINC000291529223 273868463 /nfs/dbraw/zinc/86/84/63/273868463.db2.gz NDKFQWCMBVDLLL-UHFFFAOYSA-N 1 0 301.434 2.197 50 0 DEAARO C[C@@H](CN1CCOCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000091514224 274219974 /nfs/dbraw/zinc/21/99/74/274219974.db2.gz CIDXYTHWMKVANC-HNNXBMFYSA-N 1 0 323.868 2.183 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000065478102 274867388 /nfs/dbraw/zinc/86/73/88/274867388.db2.gz 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278398350 /nfs/dbraw/zinc/39/83/50/278398350.db2.gz QHAXVRYJNADWKK-OAHLLOKOSA-N 1 0 316.449 2.469 50 0 DEAARO C[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)[C@@H]1C[NH3+] ZINC000237409176 278475162 /nfs/dbraw/zinc/47/51/62/278475162.db2.gz GHYUISVSQACBHV-XYPHTWIQSA-N 1 0 302.418 2.276 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000035255850 280285940 /nfs/dbraw/zinc/28/59/40/280285940.db2.gz HDDOHKJKDSMBIA-GFCCVEGCSA-N 1 0 315.186 2.347 50 0 DEAARO CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000043143504 280356803 /nfs/dbraw/zinc/35/68/03/280356803.db2.gz VVZIKUFPJWVPES-CHWSQXEVSA-N 1 0 311.451 2.171 50 0 DEAARO Cc1ccc2ncccc2c1C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000215018126 281171706 /nfs/dbraw/zinc/17/17/06/281171706.db2.gz UVUVZSBRPFPPPG-GOSISDBHSA-N 1 0 300.402 2.253 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000095942014 288306084 /nfs/dbraw/zinc/30/60/84/288306084.db2.gz NOEYOCYLTMXMRY-HUUCEWRRSA-N 1 0 314.495 2.455 50 0 DEAARO CC1(C)C[C@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 ZINC000090591498 281360526 /nfs/dbraw/zinc/36/05/26/281360526.db2.gz AULWJRZDRPHQQV-QWRGUYRKSA-N 1 0 322.371 2.475 50 0 DEAARO C[C@H](CN1CCOCC1)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192758866 298645124 /nfs/dbraw/zinc/64/51/24/298645124.db2.gz NBQPFWUNUXHQFS-AOIWGVFYSA-N 1 0 318.461 2.465 50 0 DEAARO [NH3+]CC[C@@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578711 334288755 /nfs/dbraw/zinc/28/87/55/334288755.db2.gz YOXOETXATHNONE-LLVKDONJSA-N 1 0 306.303 2.394 50 0 DEAARO Cn1ncc(Cl)c1C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000534586734 334292074 /nfs/dbraw/zinc/29/20/74/334292074.db2.gz RXYKXZVTMBSXDY-NSHDSACASA-N 1 0 310.829 2.068 50 0 DEAARO CC[C@@H](CNC(=O)N(C)Cc1nc2cc(F)ccc2[nH]1)[NH+](C)C ZINC000534587394 334292513 /nfs/dbraw/zinc/29/25/13/334292513.db2.gz SRXDSKPFTLGXBS-LBPRGKRZSA-N 1 0 321.400 2.184 50 0 DEAARO COc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1CO ZINC000097376538 337382762 /nfs/dbraw/zinc/38/27/62/337382762.db2.gz UIZQYLXDODFTKX-INIZCTEOSA-N 1 0 304.390 2.000 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000130396361 337383151 /nfs/dbraw/zinc/38/31/51/337383151.db2.gz JMUWOMRCTAYMKO-CVEARBPZSA-N 1 0 323.481 2.461 50 0 DEAARO COC(=O)[C@H]1C[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000337309773 523986626 /nfs/dbraw/zinc/98/66/26/523986626.db2.gz ZNEWEKMKPLRKCE-STQMWFEESA-N 1 0 301.346 2.075 50 0 DEAARO COc1ccc(Cl)cc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375201086 536561591 /nfs/dbraw/zinc/56/15/91/536561591.db2.gz PNJURICZPRRLDZ-UHFFFAOYSA-N 1 0 323.824 2.338 50 0 DEAARO Cc1nccc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 ZINC000585145867 563519946 /nfs/dbraw/zinc/51/99/46/563519946.db2.gz NNBOTMNBWHLUOR-GFCCVEGCSA-N 1 0 317.418 2.060 50 0 DEAARO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCCOC1 ZINC000170019485 563902533 /nfs/dbraw/zinc/90/25/33/563902533.db2.gz ONOKOHUDYZWCMA-GFCCVEGCSA-N 1 0 319.357 2.497 50 0 DEAARO CO[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000020220989 625039361 /nfs/dbraw/zinc/03/93/61/625039361.db2.gz PTNOEPAORYAKFI-IRXDYDNUSA-N 1 0 302.418 2.402 50 0 DEAARO CS(=O)(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113511841 625186791 /nfs/dbraw/zinc/18/67/91/625186791.db2.gz XGCQLKJEIHDZGE-UHFFFAOYSA-N 1 0 308.447 2.075 50 0 DEAARO COCCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011842105 635816005 /nfs/dbraw/zinc/81/60/05/635816005.db2.gz UJCVWMZMZXYXMK-QGZVFWFLSA-N 1 0 304.434 2.236 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[NH+]3CCCCC3)C2=O)c1 ZINC000012072683 635985194 /nfs/dbraw/zinc/98/51/94/635985194.db2.gz FNKYZYAZOJRDGY-IBGZPJMESA-N 1 0 316.445 2.334 50 0 DEAARO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012300960 636130548 /nfs/dbraw/zinc/13/05/48/636130548.db2.gz DEBIDGVOKITGPA-OAHLLOKOSA-N 1 0 304.438 2.493 50 0 DEAARO CC(C)Oc1ccc(CN2CC[C@H](CO)[C@H]([NH+](C)C)C2)cc1 ZINC000169749071 646627761 /nfs/dbraw/zinc/62/77/61/646627761.db2.gz ZBQNNSOBFUMVNY-SJLPKXTDSA-N 1 0 306.450 2.218 50 0 DEAARO CC1(C)CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000174253942 646800298 /nfs/dbraw/zinc/80/02/98/646800298.db2.gz IITYTRYOHGWRJH-INIZCTEOSA-N 1 0 320.408 2.458 50 0 DEAARO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000181566373 648697008 /nfs/dbraw/zinc/69/70/08/648697008.db2.gz HCMUFHHXEQNEHC-INIZCTEOSA-N 1 0 310.463 2.125 50 0 DEAARO CN(C)c1ccc([C@H]2CCCN2Cc2cccc(F)n2)nn1 ZINC000852194062 652361106 /nfs/dbraw/zinc/36/11/06/652361106.db2.gz FYIUVWGCMKGXPS-CQSZACIVSA-N 1 0 301.369 2.414 50 0 DEAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]Cc2ccccc2F)C1=O ZINC000014949285 683850188 /nfs/dbraw/zinc/85/01/88/683850188.db2.gz VYWVYLYZTOQSNO-SFHVURJKSA-N 1 0 322.424 2.315 50 0 DEAARO O=c1c2ccc[nH]c-2cn1C[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000065530666 683924305 /nfs/dbraw/zinc/92/43/05/683924305.db2.gz WWIRUILSEOLKRD-KRWDZBQOSA-N 1 0 308.385 2.270 50 0 DEAARO Clc1cccc2c1CCN(c1ncnc3c1CC[NH2+]C3)C2 ZINC000067654887 683924823 /nfs/dbraw/zinc/92/48/23/683924823.db2.gz RGDCQOGSQOYFQK-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/78/09/22/784780922.db2.gz MHVHVIWOPJKQSR-QZTJIDSGSA-N 1 0 317.477 2.211 50 0 DEAARO CCN1C(=O)[C@@H]2CC3(CN2C1=O)CC[NH+](C1CCCCC1)CC3 ZINC000581803625 784784114 /nfs/dbraw/zinc/78/41/14/784784114.db2.gz OQUQPCYXVNLPPU-HNNXBMFYSA-N 1 0 319.449 2.458 50 0 DEAARO O=C(c1ccsc1)N1CCC2(CC[C@H]2[NH+]2CCOCC2)CC1 ZINC000581803642 784784206 /nfs/dbraw/zinc/78/42/06/784784206.db2.gz OYQCGDMEOBAIAW-OAHLLOKOSA-N 1 0 320.458 2.465 50 0 DEAARO CCS(=O)(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000581807110 784786578 /nfs/dbraw/zinc/78/65/78/784786578.db2.gz IYOQCPIDUZEBJI-ZDUSSCGKSA-N 1 0 311.451 2.131 50 0 DEAARO COCCCn1c(C)c[nH+]c1CC1CCN(C(=O)C2CC2)CC1 ZINC000581816703 784787927 /nfs/dbraw/zinc/78/79/27/784787927.db2.gz KYUOQCSWIFKQJC-UHFFFAOYSA-N 1 0 319.449 2.419 50 0 DEAARO C[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000585089233 789692018 /nfs/dbraw/zinc/69/20/18/789692018.db2.gz VFZAXKVZAQTBPQ-XQLPTFJDSA-N 1 0 310.438 2.159 50 0 DEAARO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c2nonc21 ZINC000952962769 792808407 /nfs/dbraw/zinc/80/84/07/792808407.db2.gz HGGMKKBLFDWUNI-NSHDSACASA-N 1 0 318.377 2.434 50 0 DEAARO CN(C)c1nc(Cl)c(CN2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000952963360 792810216 /nfs/dbraw/zinc/81/02/16/792810216.db2.gz HVQOBEMTAOURRY-SNVBAGLBSA-N 1 0 302.875 2.389 50 0 DEAARO CCOC(=O)[C@@H](F)[C@@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC000952964117 792811724 /nfs/dbraw/zinc/81/17/24/792811724.db2.gz POVNOYPUBZOGAG-YPMHNXCESA-N 1 0 300.399 2.483 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1ccccc1Cn1ccnc1C ZINC000952974893 792835767 /nfs/dbraw/zinc/83/57/67/792835767.db2.gz CNRHBCMWUWDRTD-AWEZNQCLSA-N 1 0 318.446 2.259 50 0 DEAARO CNC(=O)CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000952975998 792837975 /nfs/dbraw/zinc/83/79/75/792837975.db2.gz PVIXBISZSDDHPT-AWEZNQCLSA-N 1 0 317.433 2.178 50 0 DEAARO C[N@H+](C[C@H]1CC(=O)N(C(C)(C)C)C1)C1CSCCSC1 ZINC001506431689 1061980567 /nfs/dbraw/zinc/98/05/67/1061980567.db2.gz VPERIDZFECHBFW-GFCCVEGCSA-N 1 0 316.536 2.414 50 0 DEAARO CC(C)=CC[NH+]1CCC(CNC(=O)c2cnn(C)c2C)CC1 ZINC000820542316 1090554934 /nfs/dbraw/zinc/55/49/34/1090554934.db2.gz KMFORBHFYWFOCB-UHFFFAOYSA-N 1 0 304.438 2.137 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2ccc(F)cc21 ZINC000095472597 185373023 /nfs/dbraw/zinc/37/30/23/185373023.db2.gz AREKDMPLZWKITQ-HNNXBMFYSA-N 1 0 303.381 2.381 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@H](O)c2cccc(F)c2)CC1 ZINC000095502231 185375110 /nfs/dbraw/zinc/37/51/10/185375110.db2.gz CUWVHMLQFZJTHL-KRWDZBQOSA-N 1 0 322.424 2.487 50 0 DEAARO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n(C2CCCC2)n1 ZINC000095521834 185377407 /nfs/dbraw/zinc/37/74/07/185377407.db2.gz FEUNPDQGWGGVDF-AWEZNQCLSA-N 1 0 305.426 2.474 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)[C@H](c1ccccc1C)N(C)C ZINC000095525556 185378047 /nfs/dbraw/zinc/37/80/47/185378047.db2.gz QCVZIKKFUBEMMI-INIZCTEOSA-N 1 0 305.466 2.444 50 0 DEAARO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000078947671 185133700 /nfs/dbraw/zinc/13/37/00/185133700.db2.gz WOJJQFZLHPCXRE-WMLDXEAASA-N 1 0 320.408 2.458 50 0 DEAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1sccc1Br ZINC000082614161 185191109 /nfs/dbraw/zinc/19/11/09/185191109.db2.gz BVMXHHVDRRPEDO-MRVPVSSYSA-N 1 0 303.225 2.240 50 0 DEAARO CCOc1cc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC ZINC000089990988 185275388 /nfs/dbraw/zinc/27/53/88/185275388.db2.gz PTFPFEDLYGUAOF-BBRMVZONSA-N 1 0 320.433 2.440 50 0 DEAARO C[C@H]([NH2+]C1CCC(NS(C)(=O)=O)CC1)c1ccccc1F ZINC000090081926 185281101 /nfs/dbraw/zinc/28/11/01/185281101.db2.gz WIVUMROGBWXIAC-HIFPTAJRSA-N 1 0 314.426 2.337 50 0 DEAARO CCC[C@H](C)C[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082116065 192357346 /nfs/dbraw/zinc/35/73/46/192357346.db2.gz IGLAFTVGLXDLQB-AWEZNQCLSA-N 1 0 321.469 2.296 50 0 DEAARO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000092705415 185334940 /nfs/dbraw/zinc/33/49/40/185334940.db2.gz SBUBQZOAYBSLDD-INIZCTEOSA-N 1 0 303.406 2.136 50 0 DEAARO C[C@H](C(=O)NCCCCc1cnn(C)c1)[NH+]1CCCCCC1 ZINC000095404222 185355084 /nfs/dbraw/zinc/35/50/84/185355084.db2.gz WRSMPFCRSDXQHJ-OAHLLOKOSA-N 1 0 306.454 2.124 50 0 DEAARO Cc1cccc2c(NC[C@@H]3CCN(S(C)(=O)=O)C3)cc[nH+]c12 ZINC000095435638 185364521 /nfs/dbraw/zinc/36/45/21/185364521.db2.gz SQAIJGZIRFSFNI-ZDUSSCGKSA-N 1 0 319.430 2.237 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOC[C@@H]1C ZINC000095422354 185361002 /nfs/dbraw/zinc/36/10/02/185361002.db2.gz RQWVXQOUPHLFNW-GVRJUGSUSA-N 1 0 324.490 2.184 50 0 DEAARO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000095454744 185369863 /nfs/dbraw/zinc/36/98/63/185369863.db2.gz ASMWTVAHLQIRJS-MRXNPFEDSA-N 1 0 302.378 2.259 50 0 DEAARO C[NH+]1CCC(Oc2cc(NC(=O)c3cscn3)ccn2)CC1 ZINC000095462404 185371090 /nfs/dbraw/zinc/37/10/90/185371090.db2.gz XTPYAXIBDSDLBW-UHFFFAOYSA-N 1 0 318.402 2.263 50 0 DEAARO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000097033023 185399654 /nfs/dbraw/zinc/39/96/54/185399654.db2.gz DURXTQHOSBZJCE-NEPJUHHUSA-N 1 0 318.446 2.407 50 0 DEAARO OCc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081003 185406720 /nfs/dbraw/zinc/40/67/20/185406720.db2.gz JQAGIQKTUURJAS-UHFFFAOYSA-N 1 0 303.431 2.394 50 0 DEAARO CN1CCO[C@H]2C[N@H+](CCCSCc3ccccc3)C[C@@H]21 ZINC000090552802 539417035 /nfs/dbraw/zinc/41/70/35/539417035.db2.gz MYHIROVKOTYTLX-IRXDYDNUSA-N 1 0 306.475 2.325 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(F)cc1 ZINC000229308612 201830060 /nfs/dbraw/zinc/83/00/60/201830060.db2.gz WQRHHYKGCTUADQ-SLEUVZQESA-N 1 0 314.426 2.146 50 0 DEAARO Cc1cc(NC(=O)C[NH2+]C2CC2)ccc1OC1CCOCC1 ZINC000170052817 539614356 /nfs/dbraw/zinc/61/43/56/539614356.db2.gz ZFNHCYYCSCILCZ-UHFFFAOYSA-N 1 0 304.390 2.243 50 0 DEAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946622 539728561 /nfs/dbraw/zinc/72/85/61/539728561.db2.gz KZNICRHYGRPNPP-ZIAGYGMSSA-N 1 0 321.446 2.228 50 0 DEAARO CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000071754945 191024442 /nfs/dbraw/zinc/02/44/42/191024442.db2.gz 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CCn1c(C)c(C(=O)NCC[NH+](C)C)c2cc(OC)ccc21 ZINC000005353309 181233707 /nfs/dbraw/zinc/23/37/07/181233707.db2.gz XBQSNTSQBBOZRB-UHFFFAOYSA-N 1 0 303.406 2.270 50 0 DEAARO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000193128370 356223387 /nfs/dbraw/zinc/22/33/87/356223387.db2.gz IKMYKZAUNSDDLS-JSGCOSHPSA-N 1 0 302.484 2.072 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000195544593 356256316 /nfs/dbraw/zinc/25/63/16/356256316.db2.gz CZGMKRKQSFLHSD-SMDDNHRTSA-N 1 0 316.854 2.277 50 0 DEAARO O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000251948722 356333526 /nfs/dbraw/zinc/33/35/26/356333526.db2.gz VFKBOGJKQZGKMD-VQHPVUNQSA-N 1 0 321.465 2.118 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000253369996 356336378 /nfs/dbraw/zinc/33/63/78/356336378.db2.gz KVYFSADUAFVZAV-WJFTUGDTSA-N 1 0 322.493 2.306 50 0 DEAARO CC[N@H+](C)[C@H](C(=O)N[C@H]1CCc2nccn2C1)c1ccccc1 ZINC000257365246 356338817 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CN(C)C(=O)c1cccc(C[NH2+]C2CSCCSC2)c1 ZINC000584885087 357325108 /nfs/dbraw/zinc/32/51/08/357325108.db2.gz CKXYOFWYCUSYRC-UHFFFAOYSA-N 1 0 310.488 2.327 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH+]2CCC(Oc3ccncc3)CC2)C1 ZINC000584891781 357326902 /nfs/dbraw/zinc/32/69/02/357326902.db2.gz UACHMLWABQDQMF-CQSZACIVSA-N 1 0 319.405 2.156 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000584900442 357330364 /nfs/dbraw/zinc/33/03/64/357330364.db2.gz IFLNZVXNCULDGX-LBPRGKRZSA-N 1 0 302.344 2.330 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000584900980 357330986 /nfs/dbraw/zinc/33/09/86/357330986.db2.gz SPEHOVWEPNHZDE-NSHDSACASA-N 1 0 309.435 2.342 50 0 DEAARO NC(=O)[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058294541 283315064 /nfs/dbraw/zinc/31/50/64/283315064.db2.gz CWZKSWIIWGJUIT-QGZVFWFLSA-N 1 0 301.434 2.163 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000237942192 202399001 /nfs/dbraw/zinc/39/90/01/202399001.db2.gz NUYXXDYCQKYDIR-BPLDGKMQSA-N 1 0 308.809 2.367 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000261985681 296024316 /nfs/dbraw/zinc/02/43/16/296024316.db2.gz SFGNBSBZJJAFAG-DOMZBBRYSA-N 1 0 319.430 2.125 50 0 DEAARO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F ZINC000669682669 540879505 /nfs/dbraw/zinc/87/95/05/540879505.db2.gz ZDQWLYWTNUJFHX-CHWSQXEVSA-N 1 0 315.410 2.280 50 0 DEAARO COc1cccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F ZINC000669682671 540879563 /nfs/dbraw/zinc/87/95/63/540879563.db2.gz ZDQWLYWTNUJFHX-QWHCGFSZSA-N 1 0 315.410 2.280 50 0 DEAARO COCC[NH+]1CCC(c2ncnn2-c2cccc(C)c2)CC1 ZINC000670439381 540933104 /nfs/dbraw/zinc/93/31/04/540933104.db2.gz GLLCFQSKWIUZTA-UHFFFAOYSA-N 1 0 300.406 2.402 50 0 DEAARO CCOc1ccc(C[N@@H+]2CC[C@@H](CC(=O)NC)C2)cc1OC ZINC000670439944 540933177 /nfs/dbraw/zinc/93/31/77/540933177.db2.gz OZDRJUXAUCXSKB-AWEZNQCLSA-N 1 0 306.406 2.052 50 0 DEAARO C[C@H](CCn1cccn1)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000670439877 540933297 /nfs/dbraw/zinc/93/32/97/540933297.db2.gz AHDWMFTVKYBTFY-OAHLLOKOSA-N 1 0 316.405 2.103 50 0 DEAARO C[NH2+]CC1CCN(C(=O)/C=C\c2ccc(OC)c(F)c2)CC1 ZINC000606442007 361008563 /nfs/dbraw/zinc/00/85/63/361008563.db2.gz YCMSFVZFNNAGNW-XQRVVYSFSA-N 1 0 306.381 2.306 50 0 DEAARO Fc1ccccc1OC[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000670465101 540937360 /nfs/dbraw/zinc/93/73/60/540937360.db2.gz JNOWOXSFDURCPT-CQSZACIVSA-N 1 0 304.369 2.208 50 0 DEAARO CN(CC(=O)NCc1ccc2sccc2c1)C1CC[NH2+]CC1 ZINC000670464058 540937381 /nfs/dbraw/zinc/93/73/81/540937381.db2.gz WGIKPTZMELSJLH-UHFFFAOYSA-N 1 0 317.458 2.201 50 0 DEAARO O=C(NCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccs1 ZINC000271855879 209272285 /nfs/dbraw/zinc/27/22/85/209272285.db2.gz JKZRBNULCHZFBQ-CFVMTHIKSA-N 1 0 320.458 2.415 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000006701754 181373573 /nfs/dbraw/zinc/37/35/73/181373573.db2.gz UVOIMGPLDNFPEN-AWEZNQCLSA-N 1 0 307.390 2.349 50 0 DEAARO Nc1cc(N)[nH+]c(SCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000006831858 181396279 /nfs/dbraw/zinc/39/62/79/181396279.db2.gz WNBAHXMNCJYSPX-UHFFFAOYSA-N 1 0 324.793 2.358 50 0 DEAARO COCc1noc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)n1 ZINC000091391173 193049151 /nfs/dbraw/zinc/04/91/51/193049151.db2.gz JBCVTQFCHMDTCA-LSDHHAIUSA-N 1 0 320.437 2.078 50 0 DEAARO COc1ccccc1OC1CN(C(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC000091769787 193105000 /nfs/dbraw/zinc/10/50/00/193105000.db2.gz IHUAFSHNFVFSIO-KRWDZBQOSA-N 1 0 318.417 2.192 50 0 DEAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000091769990 193105430 /nfs/dbraw/zinc/10/54/30/193105430.db2.gz KTVNVLSWUDMAMU-CQSZACIVSA-N 1 0 316.453 2.285 50 0 DEAARO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000092006666 193140702 /nfs/dbraw/zinc/14/07/02/193140702.db2.gz IEAZTYHOKMNWKB-BDJLRTHQSA-N 1 0 302.374 2.070 50 0 DEAARO COc1ccc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c(OC)c1OC ZINC000216139730 201482924 /nfs/dbraw/zinc/48/29/24/201482924.db2.gz MARJFWQADGMNQA-CABCVRRESA-N 1 0 320.433 2.381 50 0 DEAARO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC[N@@H+]1C ZINC000252489099 202845930 /nfs/dbraw/zinc/84/59/30/202845930.db2.gz JFJGIAXRJRTDLC-AAEUAGOBSA-N 1 0 301.390 2.240 50 0 DEAARO COCOc1ccc(OC)cc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000093437602 193251336 /nfs/dbraw/zinc/25/13/36/193251336.db2.gz NDTMUZAEZHSZQM-GOEBONIOSA-N 1 0 320.433 2.346 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)o1 ZINC000093682875 193288087 /nfs/dbraw/zinc/28/80/87/193288087.db2.gz CMDABCRCQZPXNI-NSHDSACASA-N 1 0 304.312 2.479 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(F)cc(OC)c2)C1 ZINC000094058601 193342427 /nfs/dbraw/zinc/34/24/27/193342427.db2.gz KPONRHPMDJKUBR-CYBMUJFWSA-N 1 0 323.412 2.365 50 0 DEAARO O=C(NC1CC[NH+](C2CCC2)CC1)c1ncc2c(F)cccn21 ZINC000529465974 284184228 /nfs/dbraw/zinc/18/42/28/284184228.db2.gz CNPVEKHXMKMCMV-UHFFFAOYSA-N 1 0 316.380 2.220 50 0 DEAARO C[NH2+]CCCn1cc(-c2ccc(OC(F)(F)F)cc2)nn1 ZINC000095386004 193441930 /nfs/dbraw/zinc/44/19/30/193441930.db2.gz DOLWQISBEDRVDL-UHFFFAOYSA-N 1 0 300.284 2.453 50 0 DEAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH+]1CCCCC1 ZINC000011879173 181713096 /nfs/dbraw/zinc/71/30/96/181713096.db2.gz PEYQMRMXVDXIEY-SFHVURJKSA-N 1 0 308.466 2.406 50 0 DEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000018107420 182093368 /nfs/dbraw/zinc/09/33/68/182093368.db2.gz DWKRKLKJLINCOT-QGZVFWFLSA-N 1 0 324.380 2.159 50 0 DEAARO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH2+]CC1 ZINC000019371929 182119784 /nfs/dbraw/zinc/11/97/84/182119784.db2.gz WATOFYBPVZCCCL-HNNXBMFYSA-N 1 0 309.413 2.061 50 0 DEAARO Cc1cc(Cl)cc(Cl)c1OCCOCCNCC[NH3+] ZINC000019772503 182145572 /nfs/dbraw/zinc/14/55/72/182145572.db2.gz WZVDSSGLMLWJST-UHFFFAOYSA-N 1 0 307.221 2.246 50 0 DEAARO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccc4nonc4c3)C2)nc1 ZINC000019798598 182150951 /nfs/dbraw/zinc/15/09/51/182150951.db2.gz ZLHHZVQGLUIFNA-INIZCTEOSA-N 1 0 323.400 2.372 50 0 DEAARO COCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100388 182186995 /nfs/dbraw/zinc/18/69/95/182186995.db2.gz OYVSCMQHDHHMOD-UHFFFAOYSA-N 1 0 310.825 2.315 50 0 DEAARO NCC[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000020117842 182188363 /nfs/dbraw/zinc/18/83/63/182188363.db2.gz HTKLHQNAHBENDX-UHFFFAOYSA-N 1 0 307.619 2.420 50 0 DEAARO NC(=O)COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000020112605 182188491 /nfs/dbraw/zinc/18/84/91/182188491.db2.gz VVPKIDKNTAMBDU-SFHVURJKSA-N 1 0 321.380 2.267 50 0 biogenic DEAARO COc1ccc(C[N@H+](C)CCn2ccnc2)c(OC)c1OC ZINC000020236255 182199634 /nfs/dbraw/zinc/19/96/34/182199634.db2.gz ZBCIPNKEZWYLPH-UHFFFAOYSA-N 1 0 305.378 2.041 50 0 DEAARO Cc1noc(C)c1-c1nc2c[nH]n(C3CC[NH+](C)CC3)c-2n1 ZINC000020362973 182211927 /nfs/dbraw/zinc/21/19/27/182211927.db2.gz VMEPUHSIXMXGFF-UHFFFAOYSA-N 1 0 300.366 2.298 50 0 DEAARO COC(=O)c1cccc(C(=O)N(C)CC[NH+]2CCC(C)CC2)c1 ZINC000020539418 182228790 /nfs/dbraw/zinc/22/87/90/182228790.db2.gz RPNOGUSEJNNGCB-UHFFFAOYSA-N 1 0 318.417 2.277 50 0 DEAARO COc1ccc2c(c1)C=C(C(=O)NCCC[NH+]1CCCC1)CO2 ZINC000021095421 182265004 /nfs/dbraw/zinc/26/50/04/182265004.db2.gz LIXIKCPPKMGGQP-UHFFFAOYSA-N 1 0 316.401 2.073 50 0 DEAARO O=C1OCC[C@H]1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021312585 182271275 /nfs/dbraw/zinc/27/12/75/182271275.db2.gz KAPGDWJIVQVQPJ-GOSISDBHSA-N 1 0 310.397 2.273 50 0 DEAARO CC(C)[NH+](CCNC=C1c2ccccc2C(=O)NC1=O)C(C)C ZINC000021759337 182287899 /nfs/dbraw/zinc/28/78/99/182287899.db2.gz MNNZYCQVVIXMNL-LFIBNONCSA-N 1 0 315.417 2.006 50 0 DEAARO CC[NH+]1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022029706 182305464 /nfs/dbraw/zinc/30/54/64/182305464.db2.gz ADIHPZVJMQLHEO-UHFFFAOYSA-N 1 0 315.339 2.281 50 0 DEAARO OCC[NH2+]CCNCc1ccccc1OCc1ccc(F)cc1 ZINC000023468436 182361265 /nfs/dbraw/zinc/36/12/65/182361265.db2.gz DCSWKYXOFTXRJG-UHFFFAOYSA-N 1 0 318.392 2.076 50 0 DEAARO Cc1cc(C)n(-c2nc(NN)[nH+]c(Nc3ccc(C)cc3)n2)n1 ZINC000034925098 182744518 /nfs/dbraw/zinc/74/45/18/182744518.db2.gz JETZCPFPSUXJIV-UHFFFAOYSA-N 1 0 310.365 2.012 50 0 DEAARO CC(C)C[NH+]1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000040466229 183072789 /nfs/dbraw/zinc/07/27/89/183072789.db2.gz QNXNYEHVYSMPNJ-AWEZNQCLSA-N 1 0 314.433 2.258 50 0 DEAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000042209444 183242604 /nfs/dbraw/zinc/24/26/04/183242604.db2.gz OZYWNCKFNSQQRZ-UHFFFAOYSA-N 1 0 324.428 2.363 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1csc(Br)c1 ZINC000493688604 249362829 /nfs/dbraw/zinc/36/28/29/249362829.db2.gz IFOHTXNWLNNGJA-XOULXFPDSA-N 1 0 315.236 2.474 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000493711142 249371216 /nfs/dbraw/zinc/37/12/16/249371216.db2.gz CURACQPNEGZDPO-LMVHVUTASA-N 1 0 304.390 2.057 50 0 DEAARO Ic1ccccc1OC1CC[NH2+]CC1 ZINC000042782909 183309118 /nfs/dbraw/zinc/30/91/18/183309118.db2.gz GEPONZFYXJHBLP-UHFFFAOYSA-N 1 0 303.143 2.422 50 0 DEAARO CCn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000043645766 183376812 /nfs/dbraw/zinc/37/68/12/183376812.db2.gz KENVWTVLTJKYLU-HNNXBMFYSA-N 1 0 313.405 2.299 50 0 DEAARO O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000106083102 194183595 /nfs/dbraw/zinc/18/35/95/194183595.db2.gz YRIOMNMHOWBFND-GHMZBOCLSA-N 1 0 307.423 2.164 50 0 DEAARO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CN1 ZINC000110910965 194369284 /nfs/dbraw/zinc/36/92/84/194369284.db2.gz PPAXHXGQOSZLTN-SNVBAGLBSA-N 1 0 304.724 2.310 50 0 DEAARO COc1ccc(CCNC(=[NH2+])NCc2csc(C)n2)cc1 ZINC000057752230 184051093 /nfs/dbraw/zinc/05/10/93/184051093.db2.gz YWUIXAKAEBKYFM-UHFFFAOYSA-N 1 0 304.419 2.317 50 0 DEAARO C[C@H](CNC(=O)c1[nH]nc2ccccc21)[NH+]1CCC(C)CC1 ZINC000060156703 184145126 /nfs/dbraw/zinc/14/51/26/184145126.db2.gz WADQKRIQDKVBFP-CYBMUJFWSA-N 1 0 300.406 2.413 50 0 DEAARO c1cc(CC[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000061742508 184185670 /nfs/dbraw/zinc/18/56/70/184185670.db2.gz RANOIHGENOEHHB-UHFFFAOYSA-N 1 0 323.440 2.377 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccccc2F)n1 ZINC000062012607 184201221 /nfs/dbraw/zinc/20/12/21/184201221.db2.gz GWJGMGJWPFUEQX-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)ccc2F)C1 ZINC000062374624 184233642 /nfs/dbraw/zinc/23/36/42/184233642.db2.gz ABZVXFKOANHNPZ-CYBMUJFWSA-N 1 0 309.385 2.224 50 0 DEAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(CC3CCCCC3)C2)cn1 ZINC000064043958 184292197 /nfs/dbraw/zinc/29/21/97/184292197.db2.gz XICYXRSAQPBRCL-MRXNPFEDSA-N 1 0 302.422 2.056 50 0 DEAARO CC1=NO[C@@](C)(C[NH2+]CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000065394970 184334902 /nfs/dbraw/zinc/33/49/02/184334902.db2.gz LHCGVESJDLLUPE-MRXNPFEDSA-N 1 0 323.824 2.143 50 0 DEAARO O=C(CC[NH2+]C[C@H]1OCCc2ccccc21)Nc1cccnc1 ZINC000065366157 184329453 /nfs/dbraw/zinc/32/94/53/184329453.db2.gz NHMYHEKNPWVBEL-QGZVFWFLSA-N 1 0 311.385 2.314 50 0 DEAARO C[C@@H](COc1ccccc1)[NH2+]CCn1ncc2ccccc2c1=O ZINC000065371353 184329793 /nfs/dbraw/zinc/32/97/93/184329793.db2.gz OZHQJGAJIGVSLX-HNNXBMFYSA-N 1 0 323.396 2.454 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000065382180 184332688 /nfs/dbraw/zinc/33/26/88/184332688.db2.gz OVOYXRHBSKKBLQ-IYBDPMFKSA-N 1 0 310.401 2.066 50 0 DEAARO CC(C)c1ncncc1C(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000065415372 184340970 /nfs/dbraw/zinc/34/09/70/184340970.db2.gz VKJGRYJQMPMBDH-KBPBESRZSA-N 1 0 304.438 2.308 50 0 DEAARO CCc1ccc2oc(=O)cc(C[NH2+]CCn3cc(C)nn3)c2c1 ZINC000065467804 184350509 /nfs/dbraw/zinc/35/05/09/184350509.db2.gz DLIWXERYCBBYMN-UHFFFAOYSA-N 1 0 312.373 2.045 50 0 DEAARO Cc1ccnc(NC[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)c1 ZINC000065487577 184352343 /nfs/dbraw/zinc/35/23/43/184352343.db2.gz ZSMVISZLWCNVIV-INIZCTEOSA-N 1 0 312.417 2.023 50 0 DEAARO CCCc1cnc(C)nc1NC(C)(C)C[NH+]1CCN(C)CC1 ZINC000065395958 184335385 /nfs/dbraw/zinc/33/53/85/184335385.db2.gz HVQPQOPYJNSULG-UHFFFAOYSA-N 1 0 305.470 2.175 50 0 DEAARO O=C(CC[NH2+]C[C@@H](O)Cc1ccccc1)NC1CCCCC1 ZINC000065404165 184338133 /nfs/dbraw/zinc/33/81/33/184338133.db2.gz RIVWYXAQLJXOPJ-KRWDZBQOSA-N 1 0 304.434 2.019 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000269200100 207320111 /nfs/dbraw/zinc/32/01/11/207320111.db2.gz XRFBHYLZLBWDKR-OQHXTRMZSA-N 1 0 309.207 2.412 50 0 DEAARO C[C@H](CCc1ccccc1)CC(=O)NCCN1CC[NH+](C)CC1 ZINC000065592971 184370332 /nfs/dbraw/zinc/37/03/32/184370332.db2.gz OURGTTXMARCXLO-QGZVFWFLSA-N 1 0 317.477 2.009 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000269240854 207370653 /nfs/dbraw/zinc/37/06/53/207370653.db2.gz XNMVPAFSKVQEHZ-IMJJTQAJSA-N 1 0 306.381 2.243 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCn1nc(C)cc1C ZINC000069510223 184521123 /nfs/dbraw/zinc/52/11/23/184521123.db2.gz NAMHRIXGRZWQIP-SJORKVTESA-N 1 0 318.465 2.365 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000537702351 285011310 /nfs/dbraw/zinc/01/13/10/285011310.db2.gz QQTNWFCMOCVATR-RXYHWBRQSA-N 1 0 307.365 2.085 50 0 DEAARO COCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000110630294 285067610 /nfs/dbraw/zinc/06/76/10/285067610.db2.gz FDNNWAVCEORMKI-OCCSQVGLSA-N 1 0 311.451 2.077 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000158299564 197260585 /nfs/dbraw/zinc/26/05/85/197260585.db2.gz RZLGCUHLNFDETL-NSHDSACASA-N 1 0 302.296 2.034 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc(OC)c1 ZINC000156827826 197142718 /nfs/dbraw/zinc/14/27/18/197142718.db2.gz MYJFPQUOCVESBH-AACONHIESA-N 1 0 318.417 2.303 50 0 DEAARO CC[N@H+](CC(=O)N(C)c1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000289827095 221252972 /nfs/dbraw/zinc/25/29/72/221252972.db2.gz OJSXOVGYNBAWMA-GFCCVEGCSA-N 1 0 311.451 2.385 50 0 DEAARO CCCc1ccc(CN2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000216510027 257273609 /nfs/dbraw/zinc/27/36/09/257273609.db2.gz DXPCPCOMSDBMGR-LJQANCHMSA-N 1 0 317.477 2.444 50 0 DEAARO COc1cc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000237209466 257239768 /nfs/dbraw/zinc/23/97/68/257239768.db2.gz VZSRIBHXYOYTRK-JUGZCIIYSA-N 1 0 304.390 2.055 50 0 DEAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000252486785 257257908 /nfs/dbraw/zinc/25/79/08/257257908.db2.gz NFPTVGPCPFUSFP-RYRKJORJSA-N 1 0 303.402 2.390 50 0 DEAARO CCSCCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000071893334 184891149 /nfs/dbraw/zinc/89/11/49/184891149.db2.gz VCESDCMIJQCWJV-UHFFFAOYSA-N 1 0 314.495 2.281 50 0 DEAARO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000138623258 285702546 /nfs/dbraw/zinc/70/25/46/285702546.db2.gz FDBXSADTMWNFAQ-OLZOCXBDSA-N 1 0 308.426 2.387 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000004998034 401728229 /nfs/dbraw/zinc/72/82/29/401728229.db2.gz HJLUYYRIPVBDGF-UHFFFAOYSA-N 1 0 318.233 2.399 50 0 DEAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000006911616 401733892 /nfs/dbraw/zinc/73/38/92/401733892.db2.gz DHWKNIIVGINTBY-OAHLLOKOSA-N 1 0 317.433 2.194 50 0 DEAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2csnn2)cc1 ZINC000000107510 401688150 /nfs/dbraw/zinc/68/81/50/401688150.db2.gz KFIYHBNYSDBJOY-LBPRGKRZSA-N 1 0 307.419 2.333 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000071864508 401688620 /nfs/dbraw/zinc/68/86/20/401688620.db2.gz BZKVNKBTUICIPW-UONOGXRCSA-N 1 0 317.408 2.261 50 0 DEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000000176360 401688920 /nfs/dbraw/zinc/68/89/20/401688920.db2.gz ZFXOCVXZSYMFFE-UHFFFAOYSA-N 1 0 304.390 2.290 50 0 DEAARO O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000071890875 401693041 /nfs/dbraw/zinc/69/30/41/401693041.db2.gz MXFMRWLJLSUSRB-RDJZCZTQSA-N 1 0 324.465 2.095 50 0 DEAARO CNC(=O)CC1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000072143460 401703690 /nfs/dbraw/zinc/70/36/90/401703690.db2.gz DWGJRNMGDMYJAH-DLBZAZTESA-N 1 0 307.482 2.099 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)N(C)Cc1ccsc1)n1cccn1 ZINC000072269765 401704681 /nfs/dbraw/zinc/70/46/81/401704681.db2.gz PUFDECPXYUAXHS-QWHCGFSZSA-N 1 0 306.435 2.142 50 0 DEAARO Cc1nc2c(c(N[C@@H](c3nccn3C)C(C)C)n1)CC[NH2+]CC2 ZINC000072432217 401710082 /nfs/dbraw/zinc/71/00/82/401710082.db2.gz ZNJVUFVPKJYGLX-OAHLLOKOSA-N 1 0 314.437 2.016 50 0 DEAARO C[NH+](C)CCCOC(=O)COc1ccc(Br)cc1 ZINC000001775492 401710296 /nfs/dbraw/zinc/71/02/96/401710296.db2.gz ZPDVJQUHIDGZBS-UHFFFAOYSA-N 1 0 316.195 2.323 50 0 DEAARO COc1cc(OC)nc([C@H](SCC[NH3+])c2ccccc2)n1 ZINC000001741991 401710694 /nfs/dbraw/zinc/71/06/94/401710694.db2.gz XQOUJVGEKAZBMJ-CQSZACIVSA-N 1 0 305.403 2.275 50 0 DEAARO C[NH+](C)CCCNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000002142128 401712217 /nfs/dbraw/zinc/71/22/17/401712217.db2.gz GQPBKYNZOZKIAC-UHFFFAOYSA-N 1 0 317.263 2.285 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2c(C)noc2C)[NH+](C)C)cc1 ZINC000014119344 401806983 /nfs/dbraw/zinc/80/69/83/401806983.db2.gz NSCXPRTVFKEJLV-HNNXBMFYSA-N 1 0 317.389 2.333 50 0 DEAARO CC1CC[NH+](CCCNc2nnnn2-c2ccccc2)CC1 ZINC000014134498 401807582 /nfs/dbraw/zinc/80/75/82/401807582.db2.gz MXWHMVFUZLIYFV-UHFFFAOYSA-N 1 0 300.410 2.196 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccs1 ZINC000014169642 401808180 /nfs/dbraw/zinc/80/81/80/401808180.db2.gz ACTIJGNWLHOUOP-GFCCVEGCSA-N 1 0 317.414 2.425 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000014168695 401808212 /nfs/dbraw/zinc/80/82/12/401808212.db2.gz DMTMBBNTLDKDKP-LLVKDONJSA-N 1 0 321.446 2.191 50 0 DEAARO CC(C)(C)n1cc(C[NH2+]C[C@H]2CCCN2c2cccnn2)cn1 ZINC000075132753 401750696 /nfs/dbraw/zinc/75/06/96/401750696.db2.gz FEQVWXVBNPVVSS-OAHLLOKOSA-N 1 0 314.437 2.187 50 0 DEAARO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000008307352 401751656 /nfs/dbraw/zinc/75/16/56/401751656.db2.gz LPKRZLVDIHWHMX-MXWKQRLJSA-N 1 0 309.435 2.152 50 0 DEAARO CCNC(=O)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328516 401751810 /nfs/dbraw/zinc/75/18/10/401751810.db2.gz CFYIORFWSJOTBA-QWRGUYRKSA-N 1 0 311.813 2.171 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)NCc1cccnc1 ZINC000075137027 401751772 /nfs/dbraw/zinc/75/17/72/401751772.db2.gz AUEYMVLBMJKYGS-GOSISDBHSA-N 1 0 309.413 2.405 50 0 DEAARO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328515 401751926 /nfs/dbraw/zinc/75/19/26/401751926.db2.gz CFYIORFWSJOTBA-WDEREUQCSA-N 1 0 311.813 2.171 50 0 DEAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCC[NH+](C)C ZINC000008390246 401752416 /nfs/dbraw/zinc/75/24/16/401752416.db2.gz IPJBQQITKDNSAQ-UHFFFAOYSA-N 1 0 315.421 2.181 50 0 DEAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000008573243 401753857 /nfs/dbraw/zinc/75/38/57/401753857.db2.gz BEEHJXFUYQZTJR-KRWDZBQOSA-N 1 0 320.408 2.333 50 0 DEAARO CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1ccc(C)cc1 ZINC000077302077 401809370 /nfs/dbraw/zinc/80/93/70/401809370.db2.gz NLWVGAGUGNAUBD-RBUKOAKNSA-N 1 0 309.413 2.494 50 0 DEAARO COc1c2c(cc3c1[C@H](Cc1cc(C)[nH]n1)[N@H+](C)CC3)OCO2 ZINC000008973478 401758316 /nfs/dbraw/zinc/75/83/16/401758316.db2.gz KIEVUGOFGKRRET-ZDUSSCGKSA-N 1 0 315.373 2.227 50 0 biogenic DEAARO [NH2+]=C(Nc1ccc(F)cc1)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC000008990297 401758892 /nfs/dbraw/zinc/75/88/92/401758892.db2.gz XCEVQUIQCLTHLN-UHFFFAOYSA-N 1 0 301.325 2.247 50 0 DEAARO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@@H]1CCCO1 ZINC000075603729 401764132 /nfs/dbraw/zinc/76/41/32/401764132.db2.gz NVIGZZYRBSCWAG-GJZGRUSLSA-N 1 0 310.463 2.232 50 0 DEAARO O=C(CC[N@@H+]1CCSC[C@@H]1c1ccccc1)N1CCOCC1 ZINC000075613214 401765046 /nfs/dbraw/zinc/76/50/46/401765046.db2.gz DSWFATHUODZGNH-MRXNPFEDSA-N 1 0 320.458 2.025 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000010544097 401771091 /nfs/dbraw/zinc/77/10/91/401771091.db2.gz BQZOCICZIMYZGT-HOTGVXAUSA-N 1 0 324.490 2.474 50 0 DEAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CC(C)(C)C)C2=O)o1 ZINC000011701411 401776300 /nfs/dbraw/zinc/77/63/00/401776300.db2.gz QNRJDRZNQQBOKZ-QGZVFWFLSA-N 1 0 308.422 2.077 50 0 DEAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000076017774 401777452 /nfs/dbraw/zinc/77/74/52/401777452.db2.gz UGOURROCLNPOEC-JYYAWHABSA-N 1 0 304.434 2.203 50 0 DEAARO CC(C)(CO)C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012318650 401783379 /nfs/dbraw/zinc/78/33/79/401783379.db2.gz RQEMJGLHOCLYHK-CQSZACIVSA-N 1 0 300.406 2.253 50 0 DEAARO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380613 401784723 /nfs/dbraw/zinc/78/47/23/401784723.db2.gz RFQSYSFXZYXYPG-JTQLQIEISA-N 1 0 314.788 2.457 50 0 DEAARO CCCc1noc(CN2CCC([NH+]3CCSCC3)CC2)n1 ZINC000012702415 401790338 /nfs/dbraw/zinc/79/03/38/401790338.db2.gz ZHNDNCOVGAEUNQ-UHFFFAOYSA-N 1 0 310.467 2.035 50 0 DEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012895931 401793314 /nfs/dbraw/zinc/79/33/14/401793314.db2.gz HFDXZTCCLWNMBB-HNNXBMFYSA-N 1 0 307.390 2.089 50 0 DEAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012999261 401795529 /nfs/dbraw/zinc/79/55/29/401795529.db2.gz VEHBORBQHMXYCI-SJCJKPOMSA-N 1 0 323.396 2.390 50 0 DEAARO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)n(C)n1 ZINC000025359824 401833069 /nfs/dbraw/zinc/83/30/69/401833069.db2.gz ROGXIGVJPZPKHD-MRXNPFEDSA-N 1 0 312.417 2.374 50 0 DEAARO CCn1cnc2c1nc(NCC[NH3+])nc2Nc1ccc(C)cc1 ZINC000026532966 401840948 /nfs/dbraw/zinc/84/09/48/401840948.db2.gz DAASLVMWVRPNAF-UHFFFAOYSA-N 1 0 311.393 2.269 50 0 DEAARO FC(F)Oc1ccccc1N1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000116924046 401864329 /nfs/dbraw/zinc/86/43/29/401864329.db2.gz VARYQPQASRLMMG-NSHDSACASA-N 1 0 308.332 2.380 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000077407872 401814419 /nfs/dbraw/zinc/81/44/19/401814419.db2.gz KSIDORXTPMXQBU-INIZCTEOSA-N 1 0 322.474 2.445 50 0 DEAARO CC(C)CN1CCN(Cc2cc(C[NH+](C)C)cs2)[C@@H](C)C1=O ZINC000077438593 401815377 /nfs/dbraw/zinc/81/53/77/401815377.db2.gz DJJOVQZLJGFAPV-AWEZNQCLSA-N 1 0 323.506 2.498 50 0 DEAARO Nc1cc(N)[nH+]c(SCc2noc(-c3ccsc3)n2)n1 ZINC000031821340 401874521 /nfs/dbraw/zinc/87/45/21/401874521.db2.gz JOJSYQWJFQGUHJ-UHFFFAOYSA-N 1 0 306.376 2.045 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC1CC1 ZINC000035853596 401901594 /nfs/dbraw/zinc/90/15/94/401901594.db2.gz TURGYFVNWNWFRK-UHFFFAOYSA-N 1 0 307.825 2.131 50 0 DEAARO Cc1ccccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103377 401902792 /nfs/dbraw/zinc/90/27/92/401902792.db2.gz OFRMQPWTJJCQLR-UHFFFAOYSA-N 1 0 302.418 2.179 50 0 DEAARO O=C(NC1CC1)[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000084519369 401906256 /nfs/dbraw/zinc/90/62/56/401906256.db2.gz PKWDMPYYTJIQRQ-WBVHZDCISA-N 1 0 324.428 2.370 50 0 DEAARO CC[C@@H](O)C[NH+]1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000084733526 401909887 /nfs/dbraw/zinc/90/98/87/401909887.db2.gz RCNJHLISVINYQS-QGZVFWFLSA-N 1 0 317.408 2.262 50 0 DEAARO CN1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000037887397 401918485 /nfs/dbraw/zinc/91/84/85/401918485.db2.gz LOROGLPMPYDXKR-CQSZACIVSA-N 1 0 302.340 2.423 50 0 DEAARO Cc1cc(C)n(-c2ccccc2CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC000089595806 401953498 /nfs/dbraw/zinc/95/34/98/401953498.db2.gz BKECZZWCYDXHGB-UHFFFAOYSA-N 1 0 314.433 2.446 50 0 DEAARO COC[C@@H](O)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089703421 401958100 /nfs/dbraw/zinc/95/81/00/401958100.db2.gz WPJPAAVSXQFAEZ-UFBFGSQYSA-N 1 0 318.186 2.172 50 0 DEAARO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)C2)no1 ZINC000089718257 401959319 /nfs/dbraw/zinc/95/93/19/401959319.db2.gz KWWIEEVMGOSSCZ-ZFWWWQNUSA-N 1 0 320.437 2.034 50 0 DEAARO COc1ncccc1NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000048309699 401997863 /nfs/dbraw/zinc/99/78/63/401997863.db2.gz UXZXTXAMAZPFOY-CYBMUJFWSA-N 1 0 306.410 2.476 50 0 DEAARO COc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1OC ZINC000046445283 401969881 /nfs/dbraw/zinc/96/98/81/401969881.db2.gz QLXFMWSHMPMRSA-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO CC(C)C(=O)N1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000047701273 401987880 /nfs/dbraw/zinc/98/78/80/401987880.db2.gz SSCOCHZJBDIXDG-UHFFFAOYSA-N 1 0 304.390 2.152 50 0 DEAARO CC[NH+]1CCC(NC(=O)NCCc2cccc(OC)c2)CC1 ZINC000047978706 401991889 /nfs/dbraw/zinc/99/18/89/401991889.db2.gz XBDQEXFCIAABFE-UHFFFAOYSA-N 1 0 305.422 2.021 50 0 DEAARO CC(C)[C@@H](CNc1ncnc2ccccc21)[NH+]1CCN(C)CC1 ZINC000044406525 401942470 /nfs/dbraw/zinc/94/24/70/401942470.db2.gz CDWDQDMWNBWORC-QGZVFWFLSA-N 1 0 313.449 2.314 50 0 DEAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000044869026 401948523 /nfs/dbraw/zinc/94/85/23/401948523.db2.gz DGQDSAMNJAYMBZ-CQSZACIVSA-N 1 0 319.357 2.018 50 0 DEAARO O=C(C1CC1)N1CCC[N@H+](CCc2ccc3c(c2)CCO3)CC1 ZINC000121261302 402024048 /nfs/dbraw/zinc/02/40/48/402024048.db2.gz HBYNTWHWPVQHDC-UHFFFAOYSA-N 1 0 314.429 2.108 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@]2(C)CCC[N@H+](CC)C2)c1C ZINC000095354935 402027317 /nfs/dbraw/zinc/02/73/17/402027317.db2.gz SSCDUNOVYSNPRG-GOSISDBHSA-N 1 0 320.481 2.301 50 0 DEAARO O=C1[C@H]2CC[C@H](C[N@H+](CCOc3ccccc3)C2)N1CC1CC1 ZINC000095359940 402027803 /nfs/dbraw/zinc/02/78/03/402027803.db2.gz YDZXSPQBTQLLOY-DLBZAZTESA-N 1 0 314.429 2.398 50 0 DEAARO COc1ccc2c(ccn(C[C@@H]3CCC[N@H+](C)C3)c2=O)c1OC ZINC000095366948 402028513 /nfs/dbraw/zinc/02/85/13/402028513.db2.gz UQNASRQLOCPXJK-CYBMUJFWSA-N 1 0 316.401 2.361 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000095365542 402028779 /nfs/dbraw/zinc/02/87/79/402028779.db2.gz HCNHKUUYQGJSFT-MRXNPFEDSA-N 1 0 304.438 2.109 50 0 DEAARO O=C(Nc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1)N1CCCC1 ZINC000095377739 402029531 /nfs/dbraw/zinc/02/95/31/402029531.db2.gz LMSCNAQOZOGIIF-UHFFFAOYSA-N 1 0 311.389 2.350 50 0 DEAARO Cc1n[nH]c(C)c1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000095384222 402031061 /nfs/dbraw/zinc/03/10/61/402031061.db2.gz RKHVGTHSJOQCFG-UHFFFAOYSA-N 1 0 306.454 2.196 50 0 DEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000095387668 402031770 /nfs/dbraw/zinc/03/17/70/402031770.db2.gz NRLBWNSJIVJOTB-MRXNPFEDSA-N 1 0 322.474 2.148 50 0 DEAARO CC(=O)N1CCC[N@H+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095507388 402033731 /nfs/dbraw/zinc/03/37/31/402033731.db2.gz VSACXLDCHYXEOB-INIZCTEOSA-N 1 0 302.418 2.182 50 0 DEAARO CC(C)CNC(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000095953670 402036147 /nfs/dbraw/zinc/03/61/47/402036147.db2.gz PEFAAPHKUISCGQ-IRXDYDNUSA-N 1 0 309.498 2.488 50 0 DEAARO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000095973161 402039977 /nfs/dbraw/zinc/03/99/77/402039977.db2.gz MPINJACSSUTOIG-GFCCVEGCSA-N 1 0 322.421 2.197 50 0 DEAARO C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000095996182 402044697 /nfs/dbraw/zinc/04/46/97/402044697.db2.gz BIKJUCAUJCZUFJ-IAGOWNOFSA-N 1 0 324.513 2.092 50 0 DEAARO C[C@@H](CCO)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000096009287 402046383 /nfs/dbraw/zinc/04/63/83/402046383.db2.gz PFZOWUUUGOGKOP-VIFPVBQESA-N 1 0 300.196 2.245 50 0 DEAARO CCC[NH+]1CCC(NC(=O)C2=NO[C@@H](c3ccccc3)C2)CC1 ZINC000052985321 402049507 /nfs/dbraw/zinc/04/95/07/402049507.db2.gz SDUZGLPVVLPDGG-QGZVFWFLSA-N 1 0 315.417 2.495 50 0 DEAARO C[NH+](C)CCNC(=S)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053534189 402057676 /nfs/dbraw/zinc/05/76/76/402057676.db2.gz SFKQWYQOCRUQMO-CYBMUJFWSA-N 1 0 311.426 2.065 50 0 DEAARO C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097237434 402119869 /nfs/dbraw/zinc/11/98/69/402119869.db2.gz UAVZMHGNYYLGHI-QXSJWSMHSA-N 1 0 323.481 2.458 50 0 DEAARO CC(C)c1ccc(/C=C\C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000096248622 402074168 /nfs/dbraw/zinc/07/41/68/402074168.db2.gz VJLGXASZCRDSGN-TWGQIWQCSA-N 1 0 315.461 2.187 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122420962 402077499 /nfs/dbraw/zinc/07/74/99/402077499.db2.gz FTJPOGVQSXXISI-VIFPVBQESA-N 1 0 315.186 2.412 50 0 DEAARO C[N@@H+]1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000096402263 402078024 /nfs/dbraw/zinc/07/80/24/402078024.db2.gz KTMLSZUWWLFIKB-UHFFFAOYSA-N 1 0 324.428 2.269 50 0 DEAARO NC(=O)c1cccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096409082 402079297 /nfs/dbraw/zinc/07/92/97/402079297.db2.gz SDQVCCDHVGRVOM-QGZVFWFLSA-N 1 0 324.380 2.217 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 ZINC000055400698 402081245 /nfs/dbraw/zinc/08/12/45/402081245.db2.gz UGQVJTIKUXFGOB-CHWSQXEVSA-N 1 0 304.390 2.266 50 0 DEAARO C[C@@](CO)([NH2+]Cc1nnnn1-c1ccccc1)C1CCCCC1 ZINC000096420061 402082181 /nfs/dbraw/zinc/08/21/81/402082181.db2.gz VPEFWXBSJLFPCU-KRWDZBQOSA-N 1 0 315.421 2.083 50 0 DEAARO O=C(C[N@H+]1CCC[C@@H]1CCCO)NC1(c2ccccc2)CCC1 ZINC000096424251 402083313 /nfs/dbraw/zinc/08/33/13/402083313.db2.gz FBOKSFODYIRDMA-QGZVFWFLSA-N 1 0 316.445 2.419 50 0 DEAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000096428770 402084531 /nfs/dbraw/zinc/08/45/31/402084531.db2.gz WCAKSJADHQNCDX-TYZQSYOASA-N 1 0 308.447 2.261 50 0 DEAARO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](O)c1ccccc1 ZINC000096449132 402089601 /nfs/dbraw/zinc/08/96/01/402089601.db2.gz WJRIWKRRJLTMCG-IRXDYDNUSA-N 1 0 304.434 2.489 50 0 DEAARO Cc1noc(C)c1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000056890609 402091582 /nfs/dbraw/zinc/09/15/82/402091582.db2.gz XECURQXGWWAKRW-UHFFFAOYSA-N 1 0 317.389 2.162 50 0 DEAARO O=C(c1ccc(NC2CC2)nc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000057192225 402093387 /nfs/dbraw/zinc/09/33/87/402093387.db2.gz JZEFDPZTEFLUGT-UHFFFAOYSA-N 1 0 323.400 2.013 50 0 DEAARO 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CCn1c(=O)n(Cc2cc(F)ccc2C)nc1[C@@H]1CCC[NH2+]C1 ZINC000067805248 402173639 /nfs/dbraw/zinc/17/36/39/402173639.db2.gz QDMZBQPSXNMOBT-CYBMUJFWSA-N 1 0 318.396 2.028 50 0 DEAARO COc1ccc(OC)c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000067818978 402173657 /nfs/dbraw/zinc/17/36/57/402173657.db2.gz NBLZDOWFKBGEIH-ZDUSSCGKSA-N 1 0 306.406 2.166 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)N[C@@H](C)c1ccccc1 ZINC000069387549 402221119 /nfs/dbraw/zinc/22/11/19/402221119.db2.gz MKRQBNYLZZEYLM-GJZGRUSLSA-N 1 0 300.406 2.129 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000107079665 402226250 /nfs/dbraw/zinc/22/62/50/402226250.db2.gz MTPKEAIBUIARRM-DZGCQCFKSA-N 1 0 307.390 2.167 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000069490081 402226608 /nfs/dbraw/zinc/22/66/08/402226608.db2.gz SFYIMMOYFFQHOM-CQSZACIVSA-N 1 0 310.405 2.165 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)Nc2ccn(C)n2)[NH+](C)C)cc1 ZINC000069528161 402229563 /nfs/dbraw/zinc/22/95/63/402229563.db2.gz 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402239789 /nfs/dbraw/zinc/23/97/89/402239789.db2.gz LSNQTMIQSGFUAX-UHFFFAOYSA-N 1 0 318.465 2.442 50 0 DEAARO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)n1 ZINC000069738866 402241658 /nfs/dbraw/zinc/24/16/58/402241658.db2.gz AVAWGGRKYILREF-UHFFFAOYSA-N 1 0 314.433 2.230 50 0 DEAARO CC(C)CCc1nc(CN2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000069773678 402243794 /nfs/dbraw/zinc/24/37/94/402243794.db2.gz RXGQNMVTKFHCPB-AWEZNQCLSA-N 1 0 311.495 2.230 50 0 DEAARO CN(C(=O)CSc1nccn1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000069809442 402244654 /nfs/dbraw/zinc/24/46/54/402244654.db2.gz IAZHUQQXSDENDH-UHFFFAOYSA-N 1 0 324.494 2.283 50 0 DEAARO COc1ccc(OCCC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000069917477 402250461 /nfs/dbraw/zinc/25/04/61/402250461.db2.gz QCPUTLHYLBUEIN-CQSZACIVSA-N 1 0 306.406 2.017 50 0 DEAARO CC(C)([NH2+]CC(=O)NC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000069924742 402251877 /nfs/dbraw/zinc/25/18/77/402251877.db2.gz XCSIHFCTKYGRNZ-LBPRGKRZSA-N 1 0 310.825 2.317 50 0 DEAARO CCOC(=O)CCCCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000069970361 402253558 /nfs/dbraw/zinc/25/35/58/402253558.db2.gz GYXJUOFMVBTIBY-UHFFFAOYSA-N 1 0 321.421 2.384 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173714 402258466 /nfs/dbraw/zinc/25/84/66/402258466.db2.gz FEUFKWJYMJFMGK-VXGBXAGGSA-N 1 0 316.854 2.396 50 0 DEAARO CC1CCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000069078810 402212916 /nfs/dbraw/zinc/21/29/16/402212916.db2.gz YTDBLFMWUZZKSG-QGZVFWFLSA-N 1 0 307.482 2.195 50 0 DEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cncc(O)c1 ZINC000109040589 402266603 /nfs/dbraw/zinc/26/66/03/402266603.db2.gz GOAOQOYOGNWONZ-UHFFFAOYSA-N 1 0 311.385 2.182 50 0 DEAARO CN(C(=O)c1ccc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000071310189 402272620 /nfs/dbraw/zinc/27/26/20/402272620.db2.gz ASXMJPQTOIMQNV-VIFPVBQESA-N 1 0 301.159 2.022 50 0 DEAARO OCCn1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000071415524 402273355 /nfs/dbraw/zinc/27/33/55/402273355.db2.gz KPXMKJULHIGMRY-KRWDZBQOSA-N 1 0 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DEAARO Cc1cc(NCCCn2cccn2)nc(N2CCCCC2)[nH+]1 ZINC001529142010 1070879793 /nfs/dbraw/zinc/87/97/93/1070879793.db2.gz XECXWJIUSINKLT-UHFFFAOYSA-N 1 0 300.410 2.474 50 0 DEAARO CCC[C@H]1COC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCN21 ZINC001529158367 1070889614 /nfs/dbraw/zinc/88/96/14/1070889614.db2.gz BCXFSZOXURSTJH-ZWKOTPCHSA-N 1 0 316.445 2.307 50 0 DEAARO Cc1cccc(Cl)c1C[N@H+]1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529151890 1070883832 /nfs/dbraw/zinc/88/38/32/1070883832.db2.gz GTBYBLVVUDHRKX-CXAGYDPISA-N 1 0 317.820 2.474 50 0 DEAARO CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)cc(OC)c2)C[C@H]1O ZINC001529184743 1070908263 /nfs/dbraw/zinc/90/82/63/1070908263.db2.gz GMVWUBAISCCDSX-QZTJIDSGSA-N 1 0 323.433 2.049 50 0 DEAARO Cc1nc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)sc1C ZINC001529198988 1070910976 /nfs/dbraw/zinc/91/09/76/1070910976.db2.gz RNZXBAKLKIATGR-OAHLLOKOSA-N 1 0 311.495 2.285 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1nnc(SC(C)C)s1 ZINC001506403341 1061943752 /nfs/dbraw/zinc/94/37/52/1061943752.db2.gz NXJWRYIOVYJONT-ZETCQYMHSA-N 1 0 306.482 2.058 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C1CN(C2CCN(C(=O)C3CCC3)CC2)C1 ZINC001506404346 1061946987 /nfs/dbraw/zinc/94/69/87/1061946987.db2.gz ZWKVWQKDKOPCQL-HNNXBMFYSA-N 1 0 319.493 2.336 50 0 DEAARO Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc2ccc(Cl)cc12 ZINC001506409453 1061951962 /nfs/dbraw/zinc/95/19/62/1061951962.db2.gz HIELTPLHWJBJDP-GJZGRUSLSA-N 1 0 305.809 2.308 50 0 DEAARO O=C1CC[C@H]([NH2+]CCCc2ccccn2)CCN1CC1CC1 ZINC001506410798 1061954987 /nfs/dbraw/zinc/95/49/87/1061954987.db2.gz XMWZVPHXRQEGHL-KRWDZBQOSA-N 1 0 301.434 2.395 50 0 DEAARO Cc1ccc(-c2nnc(NC(=O)NC3CC[NH2+]CC3)s2)cc1 ZINC000063847808 1087677233 /nfs/dbraw/zinc/67/72/33/1087677233.db2.gz OIXATKSGOKJQLF-UHFFFAOYSA-N 1 0 317.418 2.387 50 0 DEAARO CCCCCc1nc(-c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n[nH]1 ZINC000822859158 1090649471 /nfs/dbraw/zinc/64/94/71/1090649471.db2.gz VNJUMPMVXDPGOF-ZDUSSCGKSA-N 1 0 317.441 2.328 50 0 DEAARO CCCc1cnc(C)nc1N1CCC([NH2+]C2CCOCC2)CC1 ZINC000095508051 185375910 /nfs/dbraw/zinc/37/59/10/185375910.db2.gz QLHDXGDRCHRTIA-UHFFFAOYSA-N 1 0 318.465 2.475 50 0 DEAARO CO[C@@H](C[NH2+]C1CCN(c2ncccn2)CC1)c1cccs1 ZINC000095522834 185377348 /nfs/dbraw/zinc/37/73/48/185377348.db2.gz FOEUGVDIAVNPPU-AWEZNQCLSA-N 1 0 318.446 2.484 50 0 DEAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cc(N)ncn1 ZINC000095524066 185377748 /nfs/dbraw/zinc/37/77/48/185377748.db2.gz IYVVGZDJOBJHMG-UHFFFAOYSA-N 1 0 311.433 2.407 50 0 DEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCn2cccc2C1 ZINC000095523215 185377891 /nfs/dbraw/zinc/37/78/91/185377891.db2.gz OZBVSJOQIKENCO-OAHLLOKOSA-N 1 0 313.401 2.336 50 0 DEAARO COc1ccc2nc(C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)ccc2c1 ZINC000078894634 185124144 /nfs/dbraw/zinc/12/41/44/185124144.db2.gz WQUROYOMUVGSLQ-YVEFUNNKSA-N 1 0 313.401 2.266 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000078895611 185124498 /nfs/dbraw/zinc/12/44/98/185124498.db2.gz DOOLRUOYGMIHBE-CXAGYDPISA-N 1 0 320.481 2.107 50 0 DEAARO C[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000078969209 185137147 /nfs/dbraw/zinc/13/71/47/185137147.db2.gz VEJLLLCSQBPBSU-OAHLLOKOSA-N 1 0 314.385 2.446 50 0 DEAARO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000079066709 185152393 /nfs/dbraw/zinc/15/23/93/185152393.db2.gz RHJLKACHRFFORA-ZBFHGGJFSA-N 1 0 318.417 2.283 50 0 DEAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000328593395 231233654 /nfs/dbraw/zinc/23/36/54/231233654.db2.gz PBPJWOCREZOGES-VQTJNVASSA-N 1 0 323.440 2.294 50 0 DEAARO CC[C@H](NC(=O)c1cc(C)ccc1OCC[NH3+])c1nc(C)c[nH]1 ZINC000426534111 529559003 /nfs/dbraw/zinc/55/90/03/529559003.db2.gz UTEDMCCOAYSESI-AWEZNQCLSA-N 1 0 316.405 2.245 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089949048 185271085 /nfs/dbraw/zinc/27/10/85/185271085.db2.gz SGDARMLJDCPRIZ-DZGCQCFKSA-N 1 0 304.390 2.152 50 0 DEAARO C[C@@H](C[NH2+]Cc1cc(F)ccc1Br)[S@](C)=O ZINC000090193579 185286370 /nfs/dbraw/zinc/28/63/70/185286370.db2.gz BNVZUGVWPVTKAP-ZKANADHPSA-N 1 0 308.216 2.445 50 0 DEAARO CCCNC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090167997 185284510 /nfs/dbraw/zinc/28/45/10/185284510.db2.gz TWPUCKDBCWXNPO-INIZCTEOSA-N 1 0 303.450 2.155 50 0 DEAARO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090726855 185311487 /nfs/dbraw/zinc/31/14/87/185311487.db2.gz ICIOTACAEHQITJ-WDEREUQCSA-N 1 0 302.465 2.460 50 0 DEAARO Cc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCn4ccnc43)C2=O)cc1 ZINC000084150604 539393043 /nfs/dbraw/zinc/39/30/43/539393043.db2.gz CPSATAICTFQLPE-NVXWUHKLSA-N 1 0 324.428 2.464 50 0 DEAARO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 ZINC000084714893 539398382 /nfs/dbraw/zinc/39/83/82/539398382.db2.gz PQCJAFHPGVNZHI-CXAGYDPISA-N 1 0 302.418 2.432 50 0 DEAARO Cc1noc(C)c1C[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000071859959 282383100 /nfs/dbraw/zinc/38/31/00/282383100.db2.gz LZBXHEDKFULWAX-CQSZACIVSA-N 1 0 301.394 2.182 50 0 DEAARO CCn1c(=O)n(Cc2cc(F)ccc2C)nc1[C@H]1CCC[NH2+]C1 ZINC000067805249 190724233 /nfs/dbraw/zinc/72/42/33/190724233.db2.gz QDMZBQPSXNMOBT-ZDUSSCGKSA-N 1 0 318.396 2.028 50 0 DEAARO O=C(c1cccc2c1OCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069817419 190824214 /nfs/dbraw/zinc/82/42/14/190824214.db2.gz TWDVGNNNHOICLO-CYBMUJFWSA-N 1 0 302.374 2.116 50 0 DEAARO COc1ccc2nc(C[N@H+](C)C3(CO)CCOCC3)sc2c1 ZINC000191024916 539698370 /nfs/dbraw/zinc/69/83/70/539698370.db2.gz IJKPYVYHCSLNPW-UHFFFAOYSA-N 1 0 322.430 2.278 50 0 DEAARO CN(C(=O)/C=C\c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000255427912 282639821 /nfs/dbraw/zinc/63/98/21/282639821.db2.gz HQJDSIINEMUZEM-DGMVEKRQSA-N 1 0 309.207 2.283 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2cnn(C)c2)CCC[N@@H+]1CC1CC1 ZINC000071747772 191021156 /nfs/dbraw/zinc/02/11/56/191021156.db2.gz XLKFKPZSBNKUCR-MRXNPFEDSA-N 1 0 304.438 2.003 50 0 DEAARO O=C([C@@H](F)c1ccccc1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072162264 191062829 /nfs/dbraw/zinc/06/28/29/191062829.db2.gz HYFKBDUQJANZLO-KRWDZBQOSA-N 1 0 320.408 2.145 50 0 DEAARO COc1cccc(-n2cc(C[N@H+](C)C[C@@H]3CCOC3)cn2)c1 ZINC000072163165 191063918 /nfs/dbraw/zinc/06/39/18/191063918.db2.gz WRAXWRHUUFQUOQ-AWEZNQCLSA-N 1 0 301.390 2.349 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000150746758 186062696 /nfs/dbraw/zinc/06/26/96/186062696.db2.gz CNJZKKDOLYDWOW-GXTWGEPZSA-N 1 0 306.406 2.098 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000237494605 186297554 /nfs/dbraw/zinc/29/75/54/186297554.db2.gz IDUXCWYSFNZYFE-PPDNHJNESA-N 1 0 300.402 2.221 50 0 DEAARO Nc1ncccc1C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000072478837 191180054 /nfs/dbraw/zinc/18/00/54/191180054.db2.gz WHNHSABPLPCUTP-GOSISDBHSA-N 1 0 311.429 2.479 50 0 DEAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCC(N)=O ZINC000002885803 180967925 /nfs/dbraw/zinc/96/79/25/180967925.db2.gz RGTGPEWZDXOFIH-UHFFFAOYSA-N 1 0 312.797 2.245 50 0 DEAARO COc1cccc(C[NH2+]CCO)c1OCc1ccccc1F ZINC000003644683 181043619 /nfs/dbraw/zinc/04/36/19/181043619.db2.gz VISTXWQYTYGQIO-UHFFFAOYSA-N 1 0 305.349 2.495 50 0 DEAARO CC(C)(C)C1CCC([NH+]2CCN(CCOCCO)CC2)CC1 ZINC000022027720 354052083 /nfs/dbraw/zinc/05/20/83/354052083.db2.gz ARXFZAQZXVKWNJ-UHFFFAOYSA-N 1 0 312.498 2.218 50 0 DEAARO COc1cccc(OC)c1OC[C@H](C)C[NH2+]C[C@H]1CCCO1 ZINC000004337781 181099843 /nfs/dbraw/zinc/09/98/43/181099843.db2.gz ZFYZNUCKNAWSDJ-ZIAGYGMSSA-N 1 0 309.406 2.487 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc2ccccc21 ZINC000061649833 354630731 /nfs/dbraw/zinc/63/07/31/354630731.db2.gz HDAITGTWJXXDKX-JKSUJKDBSA-N 1 0 310.397 2.433 50 0 DEAARO CC(C)CC[N@@H+]1CCC[C@H](c2nc(-c3cnccn3)n[nH]2)C1 ZINC000065286766 354681598 /nfs/dbraw/zinc/68/15/98/354681598.db2.gz BRZALDQQPAAHMO-ZDUSSCGKSA-N 1 0 300.410 2.487 50 0 DEAARO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCC2)c(OC)c1 ZINC000004856180 181163867 /nfs/dbraw/zinc/16/38/67/181163867.db2.gz KNQLXRQULVYNMC-CQSZACIVSA-N 1 0 307.390 2.123 50 0 DEAARO CC(=O)Nc1cccc2c1CC[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000076020920 355119621 /nfs/dbraw/zinc/11/96/21/355119621.db2.gz IJSQHTYHPLKSQT-MRXNPFEDSA-N 1 0 318.417 2.199 50 0 DEAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)Nc1cc(C)on1 ZINC000076046907 355121617 /nfs/dbraw/zinc/12/16/17/355121617.db2.gz RFOFVXLEVTUBPV-AAEUAGOBSA-N 1 0 317.393 2.194 50 0 DEAARO CCOCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000075142614 191431640 /nfs/dbraw/zinc/43/16/40/191431640.db2.gz GYBXUYWFDANQME-RDJZCZTQSA-N 1 0 304.434 2.392 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1[NH+](C)C ZINC000089948491 355549751 /nfs/dbraw/zinc/54/97/51/355549751.db2.gz DNSBWNOWDTWGRV-TZMCWYRMSA-N 1 0 314.385 2.205 50 0 DEAARO CC[C@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@H]1[NH+](C)C ZINC000089948320 355549795 /nfs/dbraw/zinc/54/97/95/355549795.db2.gz XTCLTRXASFWMGE-WCQYABFASA-N 1 0 312.845 2.070 50 0 DEAARO CN(Cc1nnc(C2CC2)o1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000089364924 355528756 /nfs/dbraw/zinc/52/87/56/355528756.db2.gz ZJSAMSQOKGWROM-OAHLLOKOSA-N 1 0 313.405 2.048 50 0 DEAARO OC1(C[NH+](Cc2cccnc2)CC2(O)CCCC2)CCCC1 ZINC000097229486 355703085 /nfs/dbraw/zinc/70/30/85/355703085.db2.gz VHGUJWUQGYFIFY-UHFFFAOYSA-N 1 0 304.434 2.494 50 0 DEAARO CC(C)([NH2+]C[C@@H](O)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000097378140 355704936 /nfs/dbraw/zinc/70/49/36/355704936.db2.gz HFQLNIGJLRODCM-GFCCVEGCSA-N 1 0 305.296 2.206 50 0 DEAARO Cc1cccn2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)nc12 ZINC000097939105 355706121 /nfs/dbraw/zinc/70/61/21/355706121.db2.gz UEMCNMUZXPRIJW-CQSZACIVSA-N 1 0 300.406 2.247 50 0 DEAARO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000130337184 355841635 /nfs/dbraw/zinc/84/16/35/355841635.db2.gz LJEFEHFNLSCKAV-GFCCVEGCSA-N 1 0 316.854 2.020 50 0 DEAARO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCSC3)C2=O)c1 ZINC000129165356 355833007 /nfs/dbraw/zinc/83/30/07/355833007.db2.gz AHGWDKCVQGBTJZ-DOMZBBRYSA-N 1 0 306.431 2.286 50 0 DEAARO Cc1cccc(C2CC([NH2+][C@@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000154171201 355941447 /nfs/dbraw/zinc/94/14/47/355941447.db2.gz 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356336360 /nfs/dbraw/zinc/33/63/60/356336360.db2.gz CTNSFKGWXASQTM-BYCMXARLSA-N 1 0 315.410 2.148 50 0 DEAARO O[C@@H]1C[C@H](C[NH2+][C@H]2CCCSC2)N(Cc2ccccc2)C1 ZINC000253370799 356336412 /nfs/dbraw/zinc/33/64/12/356336412.db2.gz WJPJSWDUIBNVOU-GVDBMIGSSA-N 1 0 306.475 2.107 50 0 DEAARO C/C=C(\C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000274560960 356355756 /nfs/dbraw/zinc/35/57/56/356355756.db2.gz WHKJAXQTZCHUJU-UEHGYGDOSA-N 1 0 302.418 2.226 50 0 DEAARO CCOc1ccccc1OCCCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000236967729 202099853 /nfs/dbraw/zinc/09/98/53/202099853.db2.gz HMCJZWJJXRUBOD-AWEZNQCLSA-N 1 0 306.406 2.065 50 0 DEAARO CN(CC[NH+]1CCCCC1)Cc1nc(CC(F)(F)F)no1 ZINC000585090116 540256075 /nfs/dbraw/zinc/25/60/75/540256075.db2.gz SFGLHHZFGNEPPT-UHFFFAOYSA-N 1 0 306.332 2.092 50 0 DEAARO C[NH2+]C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000237098814 202154163 /nfs/dbraw/zinc/15/41/63/202154163.db2.gz OFWRQHNYTDPLGT-UHFFFAOYSA-N 1 0 323.245 2.366 50 0 DEAARO 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COC(=O)C(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000024586546 182384762 /nfs/dbraw/zinc/38/47/62/182384762.db2.gz CGINSOCWPDCTSE-UHFFFAOYSA-N 1 0 318.417 2.354 50 0 DEAARO CC[C@H](CO)[NH2+]C[C@@H](O)Cn1c(C)c(C)c2cc(C)ccc21 ZINC000028297063 182519633 /nfs/dbraw/zinc/51/96/33/182519633.db2.gz MWEPLEOQGYZBIV-HZPDHXFCSA-N 1 0 304.434 2.288 50 0 DEAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1 ZINC000030503555 182590748 /nfs/dbraw/zinc/59/07/48/182590748.db2.gz MSTQIEYXRNTAGQ-UHFFFAOYSA-N 1 0 322.405 2.366 50 0 DEAARO C[C@@H](c1nnnn1C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000189560995 296247098 /nfs/dbraw/zinc/24/70/98/296247098.db2.gz CBXNFXDITIIMOD-GJZGRUSLSA-N 1 0 320.485 2.248 50 0 DEAARO COc1ccccc1CC(=O)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000040107567 183036103 /nfs/dbraw/zinc/03/61/03/183036103.db2.gz MZTMEGQZFUGFMJ-GJZGRUSLSA-N 1 0 304.434 2.332 50 0 DEAARO NC(=O)c1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000040496587 183081331 /nfs/dbraw/zinc/08/13/31/183081331.db2.gz 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CC(C)[NH+]1CCC(N(C)CC(=O)NCc2ccccc2F)CC1 ZINC000058368112 184109513 /nfs/dbraw/zinc/10/95/13/184109513.db2.gz OFMDNAAHMUYWJN-UHFFFAOYSA-N 1 0 321.440 2.247 50 0 DEAARO CC(C)([NH2+]CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000058377543 184109972 /nfs/dbraw/zinc/10/99/72/184109972.db2.gz LHQZBNXFORSDSN-UHFFFAOYSA-N 1 0 304.390 2.253 50 0 DEAARO O[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1F ZINC000058263992 184095560 /nfs/dbraw/zinc/09/55/60/184095560.db2.gz NYCZDNRDBLZQAI-MRXNPFEDSA-N 1 0 316.380 2.039 50 0 DEAARO NC(=O)NC(=O)CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000058281036 184099184 /nfs/dbraw/zinc/09/91/84/184099184.db2.gz XCQPOEYJHFGABN-UHFFFAOYSA-N 1 0 303.406 2.059 50 0 DEAARO Cc1nc2ccccc2n1CCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058315968 184104781 /nfs/dbraw/zinc/10/47/81/184104781.db2.gz VGOLAJUHIJCOMU-OAHLLOKOSA-N 1 0 324.432 2.263 50 0 DEAARO COc1ccc(OC)c([C@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000058413935 184114681 /nfs/dbraw/zinc/11/46/81/184114681.db2.gz FECKWOCJKGIMII-SUMWQHHRSA-N 1 0 321.417 2.238 50 0 DEAARO COCCCN1C[C@@]2(CCCN(c3cc[nH+]cc3)C2)CCC1=O ZINC000072439434 284904279 /nfs/dbraw/zinc/90/42/79/284904279.db2.gz QANHQJZHPNNLEG-SFHVURJKSA-N 1 0 317.433 2.327 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000063159838 184275075 /nfs/dbraw/zinc/27/50/75/184275075.db2.gz BFXLVWPAAJAOGF-UHFFFAOYSA-N 1 0 320.817 2.099 50 0 DEAARO O=C(/C=C/c1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000064031327 184292056 /nfs/dbraw/zinc/29/20/56/184292056.db2.gz SQWZNIOSEXCWRZ-QZEKMECESA-N 1 0 314.429 2.413 50 0 DEAARO Cc1c(CN2CC[NH+](C(C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000065239682 184317262 /nfs/dbraw/zinc/31/72/62/184317262.db2.gz XRYDDZXQQBREIN-UHFFFAOYSA-N 1 0 313.449 2.410 50 0 DEAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000065383165 184332731 /nfs/dbraw/zinc/33/27/31/184332731.db2.gz OQVXLJYYAAHDKF-AWEZNQCLSA-N 1 0 310.825 2.267 50 0 DEAARO COc1ccc([C@H](O)C[NH2+]Cc2c(C)nn(C)c2Cl)cc1 ZINC000065463750 184349584 /nfs/dbraw/zinc/34/95/84/184349584.db2.gz DPKOGDUWPKURCY-CQSZACIVSA-N 1 0 309.797 2.214 50 0 DEAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000065478548 184352603 /nfs/dbraw/zinc/35/26/03/184352603.db2.gz QULYUPJHLPQALO-INIZCTEOSA-N 1 0 315.417 2.337 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000065403238 184337361 /nfs/dbraw/zinc/33/73/61/184337361.db2.gz MAELWFUEHZYBQH-GFCCVEGCSA-N 1 0 312.797 2.446 50 0 DEAARO COc1ccc(CCC[N@H+](C)CC(=O)Nc2nncs2)cc1 ZINC000065589669 184369265 /nfs/dbraw/zinc/36/92/65/184369265.db2.gz NJMJSGDXZIMYMS-UHFFFAOYSA-N 1 0 320.418 2.050 50 0 DEAARO CC(C)OCCCNC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000065591398 184369850 /nfs/dbraw/zinc/36/98/50/184369850.db2.gz XDWGRFHHTQCWFZ-SFHVURJKSA-N 1 0 304.434 2.321 50 0 DEAARO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)cc1 ZINC000065500712 184355410 /nfs/dbraw/zinc/35/54/10/184355410.db2.gz TWHOCUAGZNIQOQ-SNVBAGLBSA-N 1 0 309.797 2.321 50 0 DEAARO CC[C@H](CO)N(Cc1ccccc1C)C(=O)C1(C)CC[NH2+]CC1 ZINC000065502856 184355823 /nfs/dbraw/zinc/35/58/23/184355823.db2.gz JOTAHOFIGPSBFJ-QGZVFWFLSA-N 1 0 318.461 2.484 50 0 DEAARO CC(=O)Nc1cccc([C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000065612291 184373534 /nfs/dbraw/zinc/37/35/34/184373534.db2.gz CCJJMFIRDQBXDN-CYBMUJFWSA-N 1 0 320.437 2.345 50 0 DEAARO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1ccccc1 ZINC000065622078 184374846 /nfs/dbraw/zinc/37/48/46/184374846.db2.gz LMTMJAXJKKLWAB-KRWDZBQOSA-N 1 0 304.434 2.236 50 0 DEAARO COc1cc(CNC(=[NH2+])NCc2ccccc2)cc(OC)c1O ZINC000066245807 184398545 /nfs/dbraw/zinc/39/85/45/184398545.db2.gz GTFNBAWPTZBOHM-UHFFFAOYSA-N 1 0 315.373 2.224 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1)n1cccn1 ZINC000069372631 184510656 /nfs/dbraw/zinc/51/06/56/184510656.db2.gz GADAYZCJNUFCAM-QWHCGFSZSA-N 1 0 307.419 2.026 50 0 DEAARO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000095908555 285037596 /nfs/dbraw/zinc/03/75/96/285037596.db2.gz RVCKXTKNTKLBBA-SNVBAGLBSA-N 1 0 318.236 2.222 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000158352820 197265607 /nfs/dbraw/zinc/26/56/07/197265607.db2.gz UMLYMTANAPKLDF-CYBMUJFWSA-N 1 0 319.405 2.436 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000157792257 197215669 /nfs/dbraw/zinc/21/56/69/197215669.db2.gz GJUPVMSEFHCOKT-HMDXOVGESA-N 1 0 315.236 2.474 50 0 DEAARO COc1cc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000156461815 197115100 /nfs/dbraw/zinc/11/51/00/197115100.db2.gz FTAAUVOYBZITBQ-CHWSQXEVSA-N 1 0 306.406 2.212 50 0 DEAARO C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000155166118 197028633 /nfs/dbraw/zinc/02/86/33/197028633.db2.gz XZDVEIDNXOIFHS-LLVKDONJSA-N 1 0 323.234 2.301 50 0 DEAARO COc1cc(C2(C(=O)N3CC[C@H]([NH3+])C3)CCCC2)ccc1C ZINC000152315383 196805375 /nfs/dbraw/zinc/80/53/75/196805375.db2.gz CNKISHOHJDKFIT-HNNXBMFYSA-N 1 0 302.418 2.375 50 0 DEAARO COCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000216481895 257273672 /nfs/dbraw/zinc/27/36/72/257273672.db2.gz JYPUOZUVNFELOL-GOEBONIOSA-N 1 0 308.397 2.318 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)s1 ZINC000237598106 257238672 /nfs/dbraw/zinc/23/86/72/257238672.db2.gz SYXIMZAWWGZUDC-DTWKUNHWSA-N 1 0 317.252 2.391 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](c2ccc(F)cc2)O1 ZINC000237634940 257238951 /nfs/dbraw/zinc/23/89/51/257238951.db2.gz SFKFHTZSYZLJRF-BDJLRTHQSA-N 1 0 318.348 2.480 50 0 DEAARO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000521396265 257240465 /nfs/dbraw/zinc/24/04/65/257240465.db2.gz FUQPCHIUHLIOHR-IAGOWNOFSA-N 1 0 302.418 2.405 50 0 DEAARO COc1c(Cl)cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000521394623 257240926 /nfs/dbraw/zinc/24/09/26/257240926.db2.gz DAAKCWRYBPJWOI-VIFPVBQESA-N 1 0 303.189 2.436 50 0 DEAARO C[C@H](O)C[NH+]1CCC(CN(C)c2cnc3ccccc3n2)CC1 ZINC000069658889 184833543 /nfs/dbraw/zinc/83/35/43/184833543.db2.gz AXHTUZFVFBXSME-AWEZNQCLSA-N 1 0 314.433 2.159 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1cccc(Br)c1 ZINC000124674096 195667628 /nfs/dbraw/zinc/66/76/28/195667628.db2.gz NKOAAQCBOLOXFL-ZWNOBZJWSA-N 1 0 311.223 2.330 50 0 DEAARO CCn1cc(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000377939055 133351376 /nfs/dbraw/zinc/35/13/76/133351376.db2.gz IZAURIAVXPAYTF-UHFFFAOYSA-N 1 0 316.449 2.237 50 0 DEAARO Cc1cc(C)n2ncc(-c3noc([C@H]4CC[NH2+][C@@H](C)C4)n3)c2n1 ZINC000261867521 145235795 /nfs/dbraw/zinc/23/57/95/145235795.db2.gz UYEBZOZMSNBTQJ-CABZTGNLSA-N 1 0 312.377 2.252 50 0 DEAARO OCC[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000003003549 401720798 /nfs/dbraw/zinc/72/07/98/401720798.db2.gz YQWZAZNLPBSFGT-UHFFFAOYSA-N 1 0 308.603 2.453 50 0 DEAARO Cn1ncc(Cl)c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006742525 401732793 /nfs/dbraw/zinc/73/27/93/401732793.db2.gz YRXDAIPFVSDHTB-UHFFFAOYSA-N 1 0 310.829 2.164 50 0 DEAARO Cc1csc([C@@H](NC(=O)NCC[N@@H+](C)C2CC2)C2CC2)n1 ZINC000074200667 401732968 /nfs/dbraw/zinc/73/29/68/401732968.db2.gz DGWZUEWPIDOYRY-ZDUSSCGKSA-N 1 0 308.451 2.296 50 0 DEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1O ZINC000007125969 401736974 /nfs/dbraw/zinc/73/69/74/401736974.db2.gz PPRKDMVRNHTJPM-CQSZACIVSA-N 1 0 309.329 2.038 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+]CCC(C)C ZINC000007813789 401744595 /nfs/dbraw/zinc/74/45/95/401744595.db2.gz CHQNQAROBQANFJ-HNNXBMFYSA-N 1 0 309.406 2.273 50 0 DEAARO c1nc(C[NH2+]C[C@H]2CCc3nncn3C2)oc1-c1ccccc1 ZINC000071871870 401689876 /nfs/dbraw/zinc/68/98/76/401689876.db2.gz OPRWQRPQWDJPKD-CYBMUJFWSA-N 1 0 309.373 2.285 50 0 DEAARO Cc1cnn(C[C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccccc32)c1 ZINC000071875790 401690101 /nfs/dbraw/zinc/69/01/01/401690101.db2.gz IHAWOGFIGILSHP-QGZVFWFLSA-N 1 0 324.428 2.245 50 0 DEAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1)C1=CCCCC1 ZINC000071875135 401690553 /nfs/dbraw/zinc/69/05/53/401690553.db2.gz XRAPQQYORHGPLH-MRXNPFEDSA-N 1 0 317.437 2.049 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000126357913 401690929 /nfs/dbraw/zinc/69/09/29/401690929.db2.gz BFHOCFIUZMMZDM-JTQLQIEISA-N 1 0 312.797 2.181 50 0 DEAARO C[N@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000000307776 401694206 /nfs/dbraw/zinc/69/42/06/401694206.db2.gz SPWXEXFDXVEVGT-AWEZNQCLSA-N 1 0 307.390 2.420 50 0 DEAARO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000071915624 401696800 /nfs/dbraw/zinc/69/68/00/401696800.db2.gz BUDBWLGBZCIJHW-KRWDZBQOSA-N 1 0 321.440 2.373 50 0 DEAARO Cc1ncc(Cl)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000071916793 401697480 /nfs/dbraw/zinc/69/74/80/401697480.db2.gz INTLEBLZIURXOB-WDEREUQCSA-N 1 0 310.829 2.289 50 0 DEAARO Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000521842 401700105 /nfs/dbraw/zinc/70/01/05/401700105.db2.gz UJDGYBXVRJRFQM-UHFFFAOYSA-N 1 0 306.406 2.296 50 0 DEAARO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530567 401708375 /nfs/dbraw/zinc/70/83/75/401708375.db2.gz NWIUTZDMDHAVTP-KRWDZBQOSA-N 1 0 307.434 2.393 50 0 fda DEAARO Cc1ccc2c(c1)c1ncn(CCc3c[nH]cn3)c(=O)c1n2C ZINC000002133189 401712255 /nfs/dbraw/zinc/71/22/55/401712255.db2.gz UJWYVGIUPAOLAV-UHFFFAOYSA-N 1 0 307.357 2.162 50 0 biogenic DEAARO COc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000013670369 401802684 /nfs/dbraw/zinc/80/26/84/401802684.db2.gz KFQJVZFCRSRUCT-UHFFFAOYSA-N 1 0 306.406 2.310 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000014168693 401808200 /nfs/dbraw/zinc/80/82/00/401808200.db2.gz DMTMBBNTLDKDKP-NSHDSACASA-N 1 0 321.446 2.191 50 0 DEAARO Cc1ccc(N2CCC[C@H]([N@H+](C)C[C@@H]3CCCCO3)C2)nn1 ZINC000075128821 401750300 /nfs/dbraw/zinc/75/03/00/401750300.db2.gz JRRJMLLAOXJPFG-HOTGVXAUSA-N 1 0 304.438 2.255 50 0 DEAARO Nc1cc(N)[nH+]c(SCc2nc(-c3cccs3)no2)n1 ZINC000008488065 401753487 /nfs/dbraw/zinc/75/34/87/401753487.db2.gz QLJOGDMPAMTEOD-UHFFFAOYSA-N 1 0 306.376 2.045 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOCC2)[C@@H]1c1cccs1 ZINC000075490002 401760573 /nfs/dbraw/zinc/76/05/73/401760573.db2.gz TVEFHTKJKWRLKO-UKRRQHHQSA-N 1 0 323.462 2.173 50 0 DEAARO CSCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000009471036 401762727 /nfs/dbraw/zinc/76/27/27/401762727.db2.gz IWWULCZEUOJSEF-UHFFFAOYSA-N 1 0 313.854 2.393 50 0 DEAARO CC[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[nH]2)CC1 ZINC000009698309 401764640 /nfs/dbraw/zinc/76/46/40/401764640.db2.gz PJIBBZWMQMHKCH-UHFFFAOYSA-N 1 0 318.808 2.232 50 0 DEAARO CNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000075721356 401767289 /nfs/dbraw/zinc/76/72/89/401767289.db2.gz GTQNJQUGLNCSLK-ZDUSSCGKSA-N 1 0 308.447 2.245 50 0 DEAARO CNC(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863249 401771260 /nfs/dbraw/zinc/77/12/60/401771260.db2.gz JEJZXYNFDIIIJF-ZDUSSCGKSA-N 1 0 309.841 2.155 50 0 DEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1CCCC1 ZINC000011813624 401776767 /nfs/dbraw/zinc/77/67/67/401776767.db2.gz PBMQONRGGKUOGT-GOSISDBHSA-N 1 0 320.408 2.211 50 0 DEAARO COc1cccc2c1OC[C@H]([NH2+]CCCOc1cccnc1)C2 ZINC000011938034 401778269 /nfs/dbraw/zinc/77/82/69/401778269.db2.gz JFZWWWFLXWFDNG-OAHLLOKOSA-N 1 0 314.385 2.452 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1CCc1ccccc1 ZINC000012209698 401781790 /nfs/dbraw/zinc/78/17/90/401781790.db2.gz HNPSRXPFAZGPSS-MRXNPFEDSA-N 1 0 304.459 2.315 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1ccccc1F ZINC000012705079 401790357 /nfs/dbraw/zinc/79/03/57/401790357.db2.gz PABBHVQHVMMSJC-SFHVURJKSA-N 1 0 320.408 2.069 50 0 DEAARO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](C(C)C)C[C@@H]32)cc1OC ZINC000012750502 401791116 /nfs/dbraw/zinc/79/11/16/401791116.db2.gz RAFRXJYSDREBBM-XJKSGUPXSA-N 1 0 320.389 2.117 50 0 DEAARO Cn1ccnc1SCC[NH2+]Cc1cc(=O)c2ccccc2[nH]1 ZINC000077487510 401817262 /nfs/dbraw/zinc/81/72/62/401817262.db2.gz QQHFWQFDEDVMEL-UHFFFAOYSA-N 1 0 314.414 2.144 50 0 DEAARO CCC[N@H+](CC(=O)NC(=O)NCC(C)C)Cc1ccccc1 ZINC000023992224 401829139 /nfs/dbraw/zinc/82/91/39/401829139.db2.gz VTBUUHBLHLFIPK-UHFFFAOYSA-N 1 0 305.422 2.380 50 0 DEAARO CC(C)[C@H](C)[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 ZINC000026670818 401841531 /nfs/dbraw/zinc/84/15/31/401841531.db2.gz IAIJGAIKWKYEDY-ZDUSSCGKSA-N 1 0 315.417 2.481 50 0 DEAARO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000026913218 401842944 /nfs/dbraw/zinc/84/29/44/401842944.db2.gz GQQIDSNXGQZKPQ-MRXNPFEDSA-N 1 0 308.385 2.333 50 0 DEAARO C[C@@H](CNc1cncc(Br)c1)C[NH+]1CCOCC1 ZINC000078295346 401845886 /nfs/dbraw/zinc/84/58/86/401845886.db2.gz XNAJSSCBONUHTC-NSHDSACASA-N 1 0 314.227 2.224 50 0 DEAARO C[C@H]1C[NH+](CCC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)O1 ZINC000028842786 401853440 /nfs/dbraw/zinc/85/34/40/401853440.db2.gz BIUAWPJPAVYQCW-KBPBESRZSA-N 1 0 320.437 2.436 50 0 DEAARO COc1cc(C[NH2+][C@@H]2CCN(C(C)C)C2)cc2c1OCCO2 ZINC000078553059 401855621 /nfs/dbraw/zinc/85/56/21/401855621.db2.gz UTMJJDUJKAZIPH-CQSZACIVSA-N 1 0 306.406 2.039 50 0 DEAARO Cc1c(C[NH2+]CC[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000030663853 401865020 /nfs/dbraw/zinc/86/50/20/401865020.db2.gz UKPFLHVWOLNMDL-INIZCTEOSA-N 1 0 315.417 2.143 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)Cn1cccn1)O[C@@H](C)C2 ZINC000030904461 401867109 /nfs/dbraw/zinc/86/71/09/401867109.db2.gz VOIANIOZHFSWHI-STQMWFEESA-N 1 0 301.390 2.393 50 0 DEAARO Cc1cnc(CN(CCN2CCOCC2)c2ccccc2)cn1 ZINC000079015706 401868964 /nfs/dbraw/zinc/86/89/64/401868964.db2.gz VDYZMYHXYFUIAP-UHFFFAOYSA-N 1 0 312.417 2.124 50 0 DEAARO Cc1ccc2ccccc2c1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077375870 401813033 /nfs/dbraw/zinc/81/30/33/401813033.db2.gz RUHSLIMPPAROSK-UHFFFAOYSA-N 1 0 323.396 2.322 50 0 DEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1[nH]nc2ccccc21 ZINC000031339232 401870321 /nfs/dbraw/zinc/87/03/21/401870321.db2.gz COSBFJMTHRMLNX-UHFFFAOYSA-N 1 0 320.396 2.351 50 0 DEAARO CC(C)CN1CCN(Cc2cc(C[NH+](C)C)cs2)[C@H](C)C1=O ZINC000077438590 401815415 /nfs/dbraw/zinc/81/54/15/401815415.db2.gz DJJOVQZLJGFAPV-CQSZACIVSA-N 1 0 323.506 2.498 50 0 DEAARO COc1ccc([C@H](CNC(=O)Nc2cc(C)on2)[NH+](C)C)cc1 ZINC000032841333 401884470 /nfs/dbraw/zinc/88/44/70/401884470.db2.gz NTVFRZDOORZTSM-AWEZNQCLSA-N 1 0 318.377 2.416 50 0 DEAARO COc1ccc(O)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000032903686 401885554 /nfs/dbraw/zinc/88/55/54/401885554.db2.gz IBRHFHNZKDNSHF-UHFFFAOYSA-N 1 0 306.406 2.395 50 0 DEAARO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000032914290 401885689 /nfs/dbraw/zinc/88/56/89/401885689.db2.gz FJZJPCVRACBLGI-WBMJQRKESA-N 1 0 315.417 2.105 50 0 DEAARO C[N@H+](CCCOc1ccccc1)CC(=O)NC(=O)NC(C)(C)C ZINC000032913828 401886143 /nfs/dbraw/zinc/88/61/43/401886143.db2.gz WPMLMCJXIIQOSF-UHFFFAOYSA-N 1 0 321.421 2.012 50 0 DEAARO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000034991037 401894395 /nfs/dbraw/zinc/89/43/95/401894395.db2.gz JXQZXYWUDANUAP-JTQLQIEISA-N 1 0 318.211 2.327 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000035224572 401896970 /nfs/dbraw/zinc/89/69/70/401896970.db2.gz ZWRGBFKGPOMPOY-LBPRGKRZSA-N 1 0 302.296 2.344 50 0 DEAARO COc1cc(OC)c(OC)cc1C[NH2+]CCCn1ccnc1 ZINC000035268951 401897434 /nfs/dbraw/zinc/89/74/34/401897434.db2.gz YVYKBNKMGCLAML-UHFFFAOYSA-N 1 0 305.378 2.089 50 0 DEAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000134129468 401899501 /nfs/dbraw/zinc/89/95/01/401899501.db2.gz IKRIVKFFAYWDNH-GDBMZVCRSA-N 1 0 314.495 2.240 50 0 DEAARO COCCC[N@H+](Cc1ccc(OC)c(OC)c1)CC(C)(C)O ZINC000036115440 401902420 /nfs/dbraw/zinc/90/24/20/401902420.db2.gz LSPOLEOJXMYGOR-UHFFFAOYSA-N 1 0 311.422 2.313 50 0 DEAARO OCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000036903350 401909168 /nfs/dbraw/zinc/90/91/68/401909168.db2.gz ADJBAIKHWIAYSW-UHFFFAOYSA-N 1 0 316.195 2.082 50 0 DEAARO CC1CC[NH+](C[C@@H]2CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000037277536 401911341 /nfs/dbraw/zinc/91/13/41/401911341.db2.gz IGXPEBSAUNDIRY-QGZVFWFLSA-N 1 0 302.418 2.260 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)NCc1ccccn1)c1ccsc1 ZINC000044946307 401951600 /nfs/dbraw/zinc/95/16/00/401951600.db2.gz ZWRQCFGEZGVVPG-CQSZACIVSA-N 1 0 304.419 2.245 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1ccc(F)cc1Cl ZINC000048284912 401997302 /nfs/dbraw/zinc/99/73/02/401997302.db2.gz SKNNOEIAZLVGLR-UHFFFAOYSA-N 1 0 314.788 2.321 50 0 DEAARO c1nnc2ccc(NC3CC[NH+](CCc4ccccc4)CC3)nn12 ZINC000044978723 401953054 /nfs/dbraw/zinc/95/30/54/401953054.db2.gz AGCRYYLXAJTUMW-UHFFFAOYSA-N 1 0 322.416 2.243 50 0 DEAARO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000135943281 401955890 /nfs/dbraw/zinc/95/58/90/401955890.db2.gz VUTRUNAWGYHKGI-GFCCVEGCSA-N 1 0 309.458 2.211 50 0 DEAARO C[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)CC[C@@]1(O)C1CC1 ZINC000091757436 401997525 /nfs/dbraw/zinc/99/75/25/401997525.db2.gz LWSYTRUMGLOYEW-QAPCUYQASA-N 1 0 308.466 2.262 50 0 DEAARO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091746631 401997642 /nfs/dbraw/zinc/99/76/42/401997642.db2.gz HZMYMZBXTRLEBM-DOTOQJQBSA-N 1 0 320.408 2.285 50 0 DEAARO CN(CC1CC[NH+](C)CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089817354 401965953 /nfs/dbraw/zinc/96/59/53/401965953.db2.gz GGEPVGQAAPQANA-ZDUSSCGKSA-N 1 0 323.462 2.408 50 0 DEAARO O=c1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)occ1O ZINC000089830613 401966823 /nfs/dbraw/zinc/96/68/23/401966823.db2.gz KFWFAHRKPXWCAP-OAHLLOKOSA-N 1 0 315.369 2.179 50 0 DEAARO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000089901199 401972071 /nfs/dbraw/zinc/97/20/71/401972071.db2.gz ZVKUSMLBSFPFHG-OAHLLOKOSA-N 1 0 310.781 2.129 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000046742052 401972426 /nfs/dbraw/zinc/97/24/26/401972426.db2.gz PXMSFVCPTDPOFI-OAHLLOKOSA-N 1 0 315.417 2.250 50 0 DEAARO COCCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)cc1 ZINC000089937507 401974913 /nfs/dbraw/zinc/97/49/13/401974913.db2.gz OZGWTYHJPBJQNJ-KDOFPFPSSA-N 1 0 320.433 2.058 50 0 DEAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000089941187 401975827 /nfs/dbraw/zinc/97/58/27/401975827.db2.gz CKDXTZZJBWUBGJ-GOEBONIOSA-N 1 0 301.434 2.195 50 0 DEAARO Cc1ccsc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047523202 401983199 /nfs/dbraw/zinc/98/31/99/401983199.db2.gz MYZGUQULMCDJTH-UHFFFAOYSA-N 1 0 316.430 2.456 50 0 DEAARO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1c(F)cccc1F ZINC000090883036 401988226 /nfs/dbraw/zinc/98/82/26/401988226.db2.gz UIVHBKKHZDXJGT-JTQLQIEISA-N 1 0 303.374 2.440 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000089414438 401945783 /nfs/dbraw/zinc/94/57/83/401945783.db2.gz KPHHPVHVCFJIMK-UHFFFAOYSA-N 1 0 315.417 2.256 50 0 DEAARO O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000121164805 402018346 /nfs/dbraw/zinc/01/83/46/402018346.db2.gz LHMKHIPHEQIVOH-INIZCTEOSA-N 1 0 316.332 2.279 50 0 DEAARO Cc1ncc(C[NH2+][C@H]2CCCN(c3ccc(C)nn3)C2)s1 ZINC000095351563 402026263 /nfs/dbraw/zinc/02/62/63/402026263.db2.gz KUIPCSUPJJPXPK-ZDUSSCGKSA-N 1 0 303.435 2.309 50 0 DEAARO COc1ccccc1CC(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000121297316 402026606 /nfs/dbraw/zinc/02/66/06/402026606.db2.gz PLKWIAUYNGTFNZ-MRXNPFEDSA-N 1 0 312.369 2.313 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](C)Cc2cnccn2)CC1 ZINC000095359053 402027579 /nfs/dbraw/zinc/02/75/79/402027579.db2.gz IUFGMJYLYQQRQV-AWEZNQCLSA-N 1 0 304.438 2.034 50 0 DEAARO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCc2[nH]cnc2C1 ZINC000095370204 402029263 /nfs/dbraw/zinc/02/92/63/402029263.db2.gz WLCOUOAIJNNJBM-HNNXBMFYSA-N 1 0 324.428 2.150 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCn1ncc(N2CCCCC2)cc1=O ZINC000095382924 402031174 /nfs/dbraw/zinc/03/11/74/402031174.db2.gz UHRRFZSELKKSSV-HNNXBMFYSA-N 1 0 304.438 2.108 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCn1cc(Cl)cn1 ZINC000095383824 402031384 /nfs/dbraw/zinc/03/13/84/402031384.db2.gz JRWWMTGEYKJMCL-AWEZNQCLSA-N 1 0 312.845 2.307 50 0 DEAARO Cn1cc([C@@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000095423304 402032609 /nfs/dbraw/zinc/03/26/09/402032609.db2.gz BCKMMLAXHHBIGE-HOTGVXAUSA-N 1 0 313.401 2.490 50 0 DEAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(OCC)OCC)C1 ZINC000095941561 402035318 /nfs/dbraw/zinc/03/53/18/402035318.db2.gz KOXMGODERWQAFH-LSDHHAIUSA-N 1 0 314.470 2.402 50 0 DEAARO COCCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000051562505 402035414 /nfs/dbraw/zinc/03/54/14/402035414.db2.gz HFMMNGWFIUSEBV-UHFFFAOYSA-N 1 0 312.841 2.373 50 0 DEAARO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)no1 ZINC000095961638 402037163 /nfs/dbraw/zinc/03/71/63/402037163.db2.gz FDYHQMRFRMAUIV-GJZGRUSLSA-N 1 0 322.453 2.268 50 0 DEAARO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(OC(F)F)cc1 ZINC000095961716 402037576 /nfs/dbraw/zinc/03/75/76/402037576.db2.gz QAMYZLJAHJZXJT-GFCCVEGCSA-N 1 0 312.360 2.431 50 0 DEAARO C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000095971469 402038951 /nfs/dbraw/zinc/03/89/51/402038951.db2.gz RYTMJWRTFQGKRT-HNNXBMFYSA-N 1 0 320.396 2.459 50 0 DEAARO O[C@H]1CCCC[C@@H]1[NH+]1CCN(CCc2ccc(F)cc2)CC1 ZINC000095976579 402040257 /nfs/dbraw/zinc/04/02/57/402040257.db2.gz YAZLCRWULHUPKI-ROUUACIJSA-N 1 0 306.425 2.289 50 0 DEAARO C[C@H](Nc1ccc(N2CCOCC2)cn1)C1CC[NH+](C)CC1 ZINC000095990575 402043613 /nfs/dbraw/zinc/04/36/13/402043613.db2.gz UGSNCPJVYXFCSI-AWEZNQCLSA-N 1 0 304.438 2.060 50 0 DEAARO C[C@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000095991181 402043932 /nfs/dbraw/zinc/04/39/32/402043932.db2.gz AERQYQFZLHIGCA-LBPRGKRZSA-N 1 0 302.378 2.347 50 0 DEAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2cc(C)no2)C1 ZINC000052593883 402044230 /nfs/dbraw/zinc/04/42/30/402044230.db2.gz XWGCNHRLVWCTIJ-UONOGXRCSA-N 1 0 306.410 2.314 50 0 DEAARO OCCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723604 402045510 /nfs/dbraw/zinc/04/55/10/402045510.db2.gz JWKJBJCFGVFVHB-UHFFFAOYSA-N 1 0 302.340 2.205 50 0 DEAARO CN(C(=O)C1=NO[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000053058720 402050501 /nfs/dbraw/zinc/05/05/01/402050501.db2.gz MOSLZCDVQJEXGF-INIZCTEOSA-N 1 0 301.390 2.057 50 0 DEAARO Cc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)[nH]n1 ZINC000054775647 402070971 /nfs/dbraw/zinc/07/09/71/402070971.db2.gz QWQYETXSMMAWMT-UHFFFAOYSA-N 1 0 304.419 2.128 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2)CC1 ZINC000096257417 402075611 /nfs/dbraw/zinc/07/56/11/402075611.db2.gz ZWNDJLKMBPVBMK-HJWRWDBZSA-N 1 0 302.418 2.317 50 0 DEAARO CSc1nnc(CC2CC[NH+](CC3CCOCC3)CC2)n1C ZINC000055107682 402075765 /nfs/dbraw/zinc/07/57/65/402075765.db2.gz WJXYXCCCZDQWDN-UHFFFAOYSA-N 1 0 324.494 2.218 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3cc(C)cc(C)c3)c2N)CC1 ZINC000096282006 402076174 /nfs/dbraw/zinc/07/61/74/402076174.db2.gz VJSUICBPARNLBF-UHFFFAOYSA-N 1 0 311.433 2.485 50 0 DEAARO CC[C@@H](C(=O)Nc1cc(Br)ccc1O)[NH+](C)C ZINC000152130757 402077084 /nfs/dbraw/zinc/07/70/84/402077084.db2.gz FEXXRHUGAKACKP-JTQLQIEISA-N 1 0 301.184 2.433 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1csnn1 ZINC000096419360 402082080 /nfs/dbraw/zinc/08/20/80/402082080.db2.gz VJBWTBOSORLION-CYBMUJFWSA-N 1 0 316.430 2.275 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)/C=C\c1cccnc1 ZINC000096457139 402091864 /nfs/dbraw/zinc/09/18/64/402091864.db2.gz MGTUOCNPGYTNLK-FPLPWBNLSA-N 1 0 310.401 2.080 50 0 DEAARO O=C(Cn1cccn1)Nc1cccc(C[NH2+][C@@H]2CCSC2)c1 ZINC000096476669 402093655 /nfs/dbraw/zinc/09/36/55/402093655.db2.gz JPHGVTUCOBLREJ-OAHLLOKOSA-N 1 0 316.430 2.117 50 0 DEAARO CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000096490536 402095756 /nfs/dbraw/zinc/09/57/56/402095756.db2.gz QPGWJSABIOERLK-OAHLLOKOSA-N 1 0 319.453 2.357 50 0 DEAARO CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000058341666 402100064 /nfs/dbraw/zinc/10/00/64/402100064.db2.gz NDNSWXNBMAAKJW-INIZCTEOSA-N 1 0 317.433 2.478 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@]2(O)CCOC2)C[C@@H]1OCc1ccccc1 ZINC000097036988 402101557 /nfs/dbraw/zinc/10/15/57/402101557.db2.gz NAKIHMOHGQIKJI-SOLBZPMBSA-N 1 0 305.418 2.111 50 0 DEAARO CC(C)Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(=O)[nH]1 ZINC000097045174 402101788 /nfs/dbraw/zinc/10/17/88/402101788.db2.gz BKTHABGTNZLDKY-CJNGLKHVSA-N 1 0 319.449 2.128 50 0 DEAARO C[N@H+](CCNC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CC1 ZINC000058858815 402102732 /nfs/dbraw/zinc/10/27/32/402102732.db2.gz CWDYFOVRDPFKJJ-UHFFFAOYSA-N 1 0 320.408 2.084 50 0 DEAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2nc3ccccn3n2)c1 ZINC000097136253 402110486 /nfs/dbraw/zinc/11/04/86/402110486.db2.gz SNRICXSJNNEHCT-UHFFFAOYSA-N 1 0 324.388 2.113 50 0 DEAARO CCc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000097142331 402110694 /nfs/dbraw/zinc/11/06/94/402110694.db2.gz WZVGOWIIQPBLQH-GFCCVEGCSA-N 1 0 304.415 2.421 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cn1C ZINC000063192906 402111555 /nfs/dbraw/zinc/11/15/55/402111555.db2.gz PZBLPJYGQKHBRK-GXSJLCMTSA-N 1 0 314.227 2.130 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)Nc2cc(C)cc(C)n2)CC1 ZINC000097143089 402111590 /nfs/dbraw/zinc/11/15/90/402111590.db2.gz WTMBZTXXPTUHIC-UHFFFAOYSA-N 1 0 320.437 2.321 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000096154031 402062897 /nfs/dbraw/zinc/06/28/97/402062897.db2.gz ZGDZHTSMRWDAPI-CQSZACIVSA-N 1 0 319.405 2.387 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000054174481 402063738 /nfs/dbraw/zinc/06/37/38/402063738.db2.gz NOTPSMBOVDVACG-OAHLLOKOSA-N 1 0 318.808 2.284 50 0 DEAARO Cc1csc(NC(=O)C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000054236117 402064416 /nfs/dbraw/zinc/06/44/16/402064416.db2.gz BGMCVVQGQGLZCS-GFCCVEGCSA-N 1 0 309.435 2.139 50 0 DEAARO O=C(/C=C\c1cccc(F)c1)NCCCC[NH+]1CCOCC1 ZINC000096179167 402064780 /nfs/dbraw/zinc/06/47/80/402064780.db2.gz ROSGQIHAJXMWBZ-SREVYHEPSA-N 1 0 306.381 2.068 50 0 DEAARO Cc1nc(C)c(CC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)s1 ZINC000097729643 402131467 /nfs/dbraw/zinc/13/14/67/402131467.db2.gz OZVHPDBSWKXXRL-LLVKDONJSA-N 1 0 307.463 2.388 50 0 DEAARO [NH3+]CC[C@@H]1CN(Cc2ccccc2OC(F)(F)F)CCO1 ZINC000097815027 402132907 /nfs/dbraw/zinc/13/29/07/402132907.db2.gz LQAUOYUWZVYCIO-GFCCVEGCSA-N 1 0 304.312 2.135 50 0 DEAARO Cn1c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)nc2ccccc21 ZINC000066991315 402149807 /nfs/dbraw/zinc/14/98/07/402149807.db2.gz ZTOJPSYCWOFCFI-LLVKDONJSA-N 1 0 312.339 2.300 50 0 DEAARO Nc1c(-c2ccccc2)nsc1C(=O)NCC[NH+]1CCCC1 ZINC000067334720 402156823 /nfs/dbraw/zinc/15/68/23/402156823.db2.gz SPCWKLJEFUDPLE-UHFFFAOYSA-N 1 0 316.430 2.218 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C[C@H](C)[NH2+]1 ZINC000154289196 402203680 /nfs/dbraw/zinc/20/36/80/402203680.db2.gz BIGLBOZLNAAPCZ-BETUJISGSA-N 1 0 311.385 2.068 50 0 DEAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000067588079 402163916 /nfs/dbraw/zinc/16/39/16/402163916.db2.gz APZHCVLARZWJGU-INIZCTEOSA-N 1 0 324.428 2.410 50 0 DEAARO O=C(CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000067649908 402165955 /nfs/dbraw/zinc/16/59/55/402165955.db2.gz XFFQXENNPYNXLP-SFHVURJKSA-N 1 0 300.402 2.252 50 0 DEAARO [NH3+]C1(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)CC1 ZINC000067676316 402167264 /nfs/dbraw/zinc/16/72/64/402167264.db2.gz HDAVCCYRILYBKE-UHFFFAOYSA-N 1 0 319.311 2.260 50 0 DEAARO Cc1cc(C)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)nc2c1O ZINC000067726097 402170568 /nfs/dbraw/zinc/17/05/68/402170568.db2.gz BQZRBBARYADOEX-ZDUSSCGKSA-N 1 0 313.401 2.239 50 0 DEAARO CC/C=C(\C)C[NH+]1CCC(CNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000067834044 402174454 /nfs/dbraw/zinc/17/44/54/402174454.db2.gz CUYZLESGLSIDKG-LNKIKWGQSA-N 1 0 317.433 2.173 50 0 DEAARO CC[N@@H+]1CCO[C@H](CCNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000067850186 402174636 /nfs/dbraw/zinc/17/46/36/402174636.db2.gz PTUICVIPJZRNOF-CQSZACIVSA-N 1 0 321.421 2.236 50 0 DEAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)CC[NH3+])C2)cc1 ZINC000067846997 402174725 /nfs/dbraw/zinc/17/47/25/402174725.db2.gz OKLATHUQZLXWEN-HNNXBMFYSA-N 1 0 312.417 2.440 50 0 DEAARO CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000067863317 402176505 /nfs/dbraw/zinc/17/65/05/402176505.db2.gz HFYAMMSKDROSFJ-ZDUSSCGKSA-N 1 0 316.449 2.482 50 0 DEAARO COCc1c(C)onc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067909274 402178015 /nfs/dbraw/zinc/17/80/15/402178015.db2.gz CHQWGRZGCYGQPF-UHFFFAOYSA-N 1 0 306.366 2.064 50 0 DEAARO COCC1([N@H+](C)Cc2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000067909804 402178067 /nfs/dbraw/zinc/17/80/67/402178067.db2.gz LUWHGRNZKXXXTI-UHFFFAOYSA-N 1 0 302.374 2.148 50 0 DEAARO O=C(C[N@@H+]1CCCC[C@H]1Cc1ccccc1)NC[C@H]1CCOC1 ZINC000106649322 402215115 /nfs/dbraw/zinc/21/51/15/402215115.db2.gz 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402233919 /nfs/dbraw/zinc/23/39/19/402233919.db2.gz UZRYEBVETVJRMM-KBPBESRZSA-N 1 0 324.856 2.357 50 0 DEAARO Cc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000069657740 402237141 /nfs/dbraw/zinc/23/71/41/402237141.db2.gz GKROLXFRCUOUGX-ZDUSSCGKSA-N 1 0 324.856 2.406 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000069705577 402240242 /nfs/dbraw/zinc/24/02/42/402240242.db2.gz JMBQZXGDOQBVHF-GFCCVEGCSA-N 1 0 312.797 2.134 50 0 DEAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000069815283 402245845 /nfs/dbraw/zinc/24/58/45/402245845.db2.gz JFJLUCNJKHFBDS-OAHLLOKOSA-N 1 0 303.410 2.412 50 0 DEAARO CC[C@H]1CN([C@@H](C)c2nc(C3CC3)no2)CC[N@@H+]1CCOC ZINC000069842256 402247249 /nfs/dbraw/zinc/24/72/49/402247249.db2.gz USWGLHGSCKDTSJ-JSGCOSHPSA-N 1 0 308.426 2.051 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000069894979 402249489 /nfs/dbraw/zinc/24/94/89/402249489.db2.gz SOEYFVKYEOCENX-CQSZACIVSA-N 1 0 303.431 2.230 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000070173589 402258505 /nfs/dbraw/zinc/25/85/05/402258505.db2.gz VGWDWRJGCNZLNI-UWVGGRQHSA-N 1 0 320.817 2.227 50 0 DEAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000071144425 402270055 /nfs/dbraw/zinc/27/00/55/402270055.db2.gz YGFDUEPSVFBFSX-VIFPVBQESA-N 1 0 323.245 2.223 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CC[NH2+]C[C@@H]3C)c2)cc1 ZINC000126247703 402271258 /nfs/dbraw/zinc/27/12/58/402271258.db2.gz ALMOIZAUHXWUSN-ZDUSSCGKSA-N 1 0 311.385 2.191 50 0 DEAARO CO[C@H]1CN(Cc2nc3ccccc3n2CC(C)C)CC[C@H]1[NH3+] ZINC000071385563 402273652 /nfs/dbraw/zinc/27/36/52/402273652.db2.gz YCETUJVUZDYPGX-PBHICJAKSA-N 1 0 316.449 2.240 50 0 DEAARO CCCn1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1 ZINC000071439717 402275106 /nfs/dbraw/zinc/27/51/06/402275106.db2.gz NRDICBJMLYMNJM-UHFFFAOYSA-N 1 0 304.438 2.188 50 0 DEAARO C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000071799371 402279058 /nfs/dbraw/zinc/27/90/58/402279058.db2.gz KYCNFDBOPAKCIX-UHFFFAOYSA-N 1 0 316.405 2.177 50 0 DEAARO CCn1ccc2cc(CN3C[C@H]([NH+](C)C)C[C@H]3CO)ccc21 ZINC000215218274 402281609 /nfs/dbraw/zinc/28/16/09/402281609.db2.gz KLUFCYUOJMZYAK-SJORKVTESA-N 1 0 301.434 2.158 50 0 DEAARO CCOC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000071821794 402282329 /nfs/dbraw/zinc/28/23/29/402282329.db2.gz SZZUCSLEVSFHAL-UHFFFAOYSA-N 1 0 321.808 2.349 50 0 DEAARO CN(C)c1ccc(CN2CC[NH+](C3CCSCC3)CC2)cn1 ZINC000215402067 402283131 /nfs/dbraw/zinc/28/31/31/402283131.db2.gz ORROLIQTCHNRPU-UHFFFAOYSA-N 1 0 320.506 2.161 50 0 DEAARO CCc1ncc(CN2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000215401511 402283274 /nfs/dbraw/zinc/28/32/74/402283274.db2.gz RGSQGRPMUCWVPB-UHFFFAOYSA-N 1 0 311.433 2.142 50 0 DEAARO Cc1nc(C)c([C@@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)s1 ZINC000071825237 402283464 /nfs/dbraw/zinc/28/34/64/402283464.db2.gz NFUQIZVNOALLIH-SNVBAGLBSA-N 1 0 308.451 2.416 50 0 DEAARO C[N@H+](Cc1cnc(NC[C@@H]2CCCO2)nc1)C1CCSCC1 ZINC000215834864 402285903 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CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229306816 402341750 /nfs/dbraw/zinc/34/17/50/402341750.db2.gz YKEAEIRXDQAFSU-HOTGVXAUSA-N 1 0 319.497 2.326 50 0 DEAARO CC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229386780 402343006 /nfs/dbraw/zinc/34/30/06/402343006.db2.gz YNBUTMPBUJLDIQ-SJORKVTESA-N 1 0 316.401 2.011 50 0 DEAARO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCc2ccccn2)C1 ZINC000229960543 402346095 /nfs/dbraw/zinc/34/60/95/402346095.db2.gz OAFQSVRBGNFXKJ-DOTOQJQBSA-N 1 0 301.434 2.347 50 0 DEAARO CC(C)([NH3+])CNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000236605147 402367764 /nfs/dbraw/zinc/36/77/64/402367764.db2.gz WTJHKGQXCJZRSN-UHFFFAOYSA-N 1 0 307.781 2.121 50 0 DEAARO Cc1cc(C)n([C@@H]2CC[N@H+](CCC(=O)Nc3cccnc3)C2)n1 ZINC000244794734 402449439 /nfs/dbraw/zinc/44/94/39/402449439.db2.gz QSMSVHJDGLFHKN-MRXNPFEDSA-N 1 0 313.405 2.171 50 0 DEAARO COc1ccccc1CNC(=O)CC[N@H+](C)Cc1ccoc1 ZINC000244828554 402450032 /nfs/dbraw/zinc/45/00/32/402450032.db2.gz TYHCSYAXRSNHBS-UHFFFAOYSA-N 1 0 302.374 2.427 50 0 DEAARO Cc1cncc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000241383139 402443404 /nfs/dbraw/zinc/44/34/04/402443404.db2.gz MSUXTCSVUAYWQW-IAGOWNOFSA-N 1 0 300.406 2.212 50 0 DEAARO O[C@H]1C[C@@H](c2cc(N3CCC[N@@H+](C4CCCC4)CC3)ncn2)C1 ZINC000244701154 402447874 /nfs/dbraw/zinc/44/78/74/402447874.db2.gz KBEJQHQJTCYCKG-FZNQNYSPSA-N 1 0 316.449 2.170 50 0 DEAARO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@]1(O)CC[NH2+]C1 ZINC000244695573 402448245 /nfs/dbraw/zinc/44/82/45/402448245.db2.gz JOYGKQVEWOAABL-HXUWFJFHSA-N 1 0 324.424 2.049 50 0 DEAARO COC(=O)c1sc(N[C@H]2CC[N@@H+](C(C)C)C2)nc1Cl ZINC000170641719 402509705 /nfs/dbraw/zinc/50/97/05/402509705.db2.gz CEGGNOTYWSDOLC-QMMMGPOBSA-N 1 0 303.815 2.478 50 0 DEAARO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178562168 402511966 /nfs/dbraw/zinc/51/19/66/402511966.db2.gz SXCIGEOKXQVNMW-QWRGUYRKSA-N 1 0 316.323 2.280 50 0 DEAARO COc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F 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311.470 2.460 50 0 DEAARO Nc1nc(NCCCCc2ccccn2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252539222 402658536 /nfs/dbraw/zinc/65/85/36/402658536.db2.gz NWVZXHKGZLSZQH-XBXGTLAGSA-N 1 0 313.405 2.127 50 0 DEAARO C[C@@H]1CN(Cc2ccc(OCCCn3ccnc3)cc2)CC[NH2+]1 ZINC000252487722 402655433 /nfs/dbraw/zinc/65/54/33/402655433.db2.gz IASNRUWYZPIJRU-MRXNPFEDSA-N 1 0 314.433 2.146 50 0 DEAARO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000253433301 402666738 /nfs/dbraw/zinc/66/67/38/402666738.db2.gz VJPKJUJAOJDZSC-CQSZACIVSA-N 1 0 321.808 2.249 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2csc(Br)c2)C1 ZINC000255602773 402692272 /nfs/dbraw/zinc/69/22/72/402692272.db2.gz OXDVYIBVIRMFPE-UMBAGQNISA-N 1 0 315.236 2.474 50 0 DEAARO CC[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)OC ZINC000192859945 402754022 /nfs/dbraw/zinc/75/40/22/402754022.db2.gz GMKOHEBGLQDERU-XJKSGUPXSA-N 1 0 305.422 2.148 50 0 DEAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000195542747 402850765 /nfs/dbraw/zinc/85/07/65/402850765.db2.gz PYVFMKPUHBTOOK-VIFPVBQESA-N 1 0 301.159 2.070 50 0 DEAARO CCO[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCOCC2)C12CCCC2 ZINC000096493397 286279122 /nfs/dbraw/zinc/27/91/22/286279122.db2.gz BLZHLCFVNYYDPX-HZPDHXFCSA-N 1 0 310.482 2.425 50 0 DEAARO CC[NH+](CC)CCNC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000299786420 403574378 /nfs/dbraw/zinc/57/43/78/403574378.db2.gz KKCBVFPZGUEYAJ-UHFFFAOYSA-N 1 0 301.394 2.336 50 0 DEAARO FC1(F)CCC(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)CC1 ZINC000299785490 403574531 /nfs/dbraw/zinc/57/45/31/403574531.db2.gz SEXRJOWXHZFPBK-KBPBESRZSA-N 1 0 312.364 2.249 50 0 DEAARO [NH3+]CCCOc1ccc(C(=O)N2CC(c3nccs3)C2)cc1 ZINC000299800116 403578266 /nfs/dbraw/zinc/57/82/66/403578266.db2.gz VBQSSBYEOSTGGH-UHFFFAOYSA-N 1 0 317.414 2.110 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)CC2 ZINC000330186853 404578005 /nfs/dbraw/zinc/57/80/05/404578005.db2.gz KAJUVHOSFRTCBP-AGIUHOORSA-N 1 0 324.494 2.249 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)NCCOc1cccc2ccccc21 ZINC000417158238 405050017 /nfs/dbraw/zinc/05/00/17/405050017.db2.gz DYOYJOQZZGSDGQ-CQSZACIVSA-N 1 0 313.401 2.222 50 0 DEAARO C[C@@H](Cc1ccccn1)N(C)C(=O)NCCC[NH+]1CCCC1 ZINC000426544736 405368579 /nfs/dbraw/zinc/36/85/79/405368579.db2.gz KUHUILALHRQEGL-HNNXBMFYSA-N 1 0 304.438 2.140 50 0 DEAARO CN(C(=O)NCc1cc2cc(F)ccc2[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000426567089 405368928 /nfs/dbraw/zinc/36/89/28/405368928.db2.gz OQDAAPRKTWVOOF-CQSZACIVSA-N 1 0 304.369 2.153 50 0 DEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(N(C)C)nc3)[C@H]2C1 ZINC000426622927 405371247 /nfs/dbraw/zinc/37/12/47/405371247.db2.gz KXWIPUPFMMBIHU-XYJFISCASA-N 1 0 319.449 2.306 50 0 DEAARO C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000585132358 405875165 /nfs/dbraw/zinc/87/51/65/405875165.db2.gz UVALFJZCGGTJAN-KRWDZBQOSA-N 1 0 318.461 2.170 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000130850018 196115671 /nfs/dbraw/zinc/11/56/71/196115671.db2.gz NCNFQOBFIDGUBB-AWEZNQCLSA-N 1 0 306.406 2.112 50 0 DEAARO CN(C(=O)CCOc1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179090032 224884372 /nfs/dbraw/zinc/88/43/72/224884372.db2.gz SBGNUKQQEOBBPH-NSHDSACASA-N 1 0 300.761 2.068 50 0 DEAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000188370496 225018665 /nfs/dbraw/zinc/01/86/65/225018665.db2.gz GDSYRVGOBMOTOI-DDTOSNHZSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@H]1CCCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246133236 225224818 /nfs/dbraw/zinc/22/48/18/225224818.db2.gz PKKFJROJLJLBCQ-IRXDYDNUSA-N 1 0 307.482 2.195 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000299739176 229371590 /nfs/dbraw/zinc/37/15/90/229371590.db2.gz LMQRHYKUXPMKIH-LBPRGKRZSA-N 1 0 317.414 2.143 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000299740391 229375514 /nfs/dbraw/zinc/37/55/14/229375514.db2.gz ZFVNOWSWHJEVFY-GVDBMIGSSA-N 1 0 302.418 2.179 50 0 DEAARO NC(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000534643525 421694234 /nfs/dbraw/zinc/69/42/34/421694234.db2.gz XAVPWVRALWBPIG-CYBMUJFWSA-N 1 0 302.422 2.247 50 0 DEAARO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc12 ZINC000048353511 424832750 /nfs/dbraw/zinc/83/27/50/424832750.db2.gz KTVRYPFILSFBBT-UHFFFAOYSA-N 1 0 324.384 2.338 50 0 DEAARO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC2(CC1)OCCO2 ZINC000047496686 424826311 /nfs/dbraw/zinc/82/63/11/424826311.db2.gz DIZYSUQVDMSXTP-RBSFLKMASA-N 1 0 310.438 2.003 50 0 DEAARO Cc1[nH]nc2ncc(C[NH2+]CCN3CCc4ccccc4C3)cc12 ZINC000048314933 424831930 /nfs/dbraw/zinc/83/19/30/424831930.db2.gz XHRSAFWWLZORCI-UHFFFAOYSA-N 1 0 321.428 2.414 50 0 DEAARO CC1([C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)OCCO1 ZINC000108497265 424851601 /nfs/dbraw/zinc/85/16/01/424851601.db2.gz BSXVUZBTKWPDCA-XJKSGUPXSA-N 1 0 309.381 2.334 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000121971662 424854534 /nfs/dbraw/zinc/85/45/34/424854534.db2.gz BDNSASWESJMYBW-BLLLJJGKSA-N 1 0 316.380 2.353 50 0 DEAARO CCC[N@@H+]1CCCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106798690 424850365 /nfs/dbraw/zinc/85/03/65/424850365.db2.gz ZLVJYISCHKXPCB-YESZJQIVSA-N 1 0 309.498 2.297 50 0 DEAARO O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)C1CC[NH+](C2CC2)CC1 ZINC000252508809 424888309 /nfs/dbraw/zinc/88/83/09/424888309.db2.gz XUPQUSABMIAKQD-AWEZNQCLSA-N 1 0 304.394 2.074 50 0 DEAARO c1ccc2c(c1)Cc1c(ncnc1N1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000225328654 275070712 /nfs/dbraw/zinc/07/07/12/275070712.db2.gz BFDCIMHFSDIJOW-HNNXBMFYSA-N 1 0 322.412 2.244 50 0 DEAARO CC1CCC(C[NH2+]CC2(CS(C)(=O)=O)CCOCC2)CC1 ZINC000095449368 275928492 /nfs/dbraw/zinc/92/84/92/275928492.db2.gz NKJBCPNEXNYWBE-UHFFFAOYSA-N 1 0 317.495 2.244 50 0 DEAARO C[N@@H+]1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000008178088 277052618 /nfs/dbraw/zinc/05/26/18/277052618.db2.gz GRPHXBFGQMYZKT-UHFFFAOYSA-N 1 0 318.808 2.028 50 0 DEAARO COc1cc2nc(Cl)nc(N3CC[NH+](C)CC3)c2cc1OC ZINC000002026564 277857535 /nfs/dbraw/zinc/85/75/35/277857535.db2.gz QDRZTXVHTDMNBH-UHFFFAOYSA-N 1 0 322.796 2.052 50 0 DEAARO COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2[NH3+])cc1 ZINC000035337498 277929889 /nfs/dbraw/zinc/92/98/89/277929889.db2.gz IWWSVINQONJVDG-ULQDDVLXSA-N 1 0 321.384 2.370 50 0 DEAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)[O-])CC1 ZINC000263173342 279374574 /nfs/dbraw/zinc/37/45/74/279374574.db2.gz SJVUKQGORIDSDF-STQMWFEESA-N 1 0 323.412 2.091 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@H](C)C2 ZINC000180100672 281116682 /nfs/dbraw/zinc/11/66/82/281116682.db2.gz OATIFTUVPJNUKI-CZUORRHYSA-N 1 0 302.418 2.100 50 0 DEAARO CC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000007459820 281807207 /nfs/dbraw/zinc/80/72/07/281807207.db2.gz ZVETYSLPZKBDQO-CQSZACIVSA-N 1 0 315.417 2.482 50 0 DEAARO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684280 289242896 /nfs/dbraw/zinc/24/28/96/289242896.db2.gz KLCKUMOFHHKUHW-UKRRQHHQSA-N 1 0 318.417 2.462 50 0 DEAARO C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)C[NH+]1CCCCC1 ZINC000058405395 289685847 /nfs/dbraw/zinc/68/58/47/289685847.db2.gz ZJWIYTVJNFPKLG-CQSZACIVSA-N 1 0 306.454 2.490 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000078896633 300115329 /nfs/dbraw/zinc/11/53/29/300115329.db2.gz LYVQQNOZMLTGGT-RDJZCZTQSA-N 1 0 316.445 2.143 50 0 DEAARO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@H+](C)C3)c(C)c1 ZINC000091706395 301197328 /nfs/dbraw/zinc/19/73/28/301197328.db2.gz FYIRHEXOOYHIFL-HZPDHXFCSA-N 1 0 322.474 2.327 50 0 DEAARO Cc1ccccc1[C@@H](CNC(=O)NC1(CO)CCCC1)[NH+](C)C ZINC000534641759 334305612 /nfs/dbraw/zinc/30/56/12/334305612.db2.gz BZSFQHBDYJOTQR-MRXNPFEDSA-N 1 0 319.449 2.202 50 0 DEAARO Cc1ncsc1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426619995 534799321 /nfs/dbraw/zinc/79/93/21/534799321.db2.gz HVSXMYJWAWOGKE-UHFFFAOYSA-N 1 0 309.464 2.339 50 0 DEAARO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)[C@H]2CCO[C@H]21 ZINC000245287345 527874506 /nfs/dbraw/zinc/87/45/06/527874506.db2.gz CAZSVLHAQZIACV-MUIFIZLQSA-N 1 0 301.434 2.454 50 0 DEAARO CC(C)c1nc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2[NH3+])cs1 ZINC000299784058 528272769 /nfs/dbraw/zinc/27/27/69/528272769.db2.gz SBTBAAQPDWXSTE-WVWOOGAGSA-N 1 0 305.447 2.075 50 0 DEAARO CCCCN(CC)C(=O)COC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525592 528387274 /nfs/dbraw/zinc/38/72/74/528387274.db2.gz GYZQTZLJQPLBTJ-AWEZNQCLSA-N 1 0 300.443 2.189 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2cccc(C)c2)C[C@H]1C ZINC000247377884 528750568 /nfs/dbraw/zinc/75/05/68/528750568.db2.gz VNJXLQXYMRDIMV-QGZVFWFLSA-N 1 0 306.450 2.416 50 0 DEAARO CCOCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000372584722 535496354 /nfs/dbraw/zinc/49/63/54/535496354.db2.gz ILHSDCBVNGYBQN-VQFNDLOPSA-N 1 0 302.418 2.050 50 0 DEAARO CCn1nnc(C)c1C[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000449251692 535917806 /nfs/dbraw/zinc/91/78/06/535917806.db2.gz SIHLEJZJSWGITA-RHSMWYFYSA-N 1 0 301.438 2.387 50 0 DEAARO CCOc1nnc(CN2CCC([NH2+]C3CCCC3)CC2)s1 ZINC000169984152 568419223 /nfs/dbraw/zinc/41/92/23/568419223.db2.gz KHKPRUWGYZOLCI-UHFFFAOYSA-N 1 0 310.467 2.433 50 0 DEAARO COC[C@H]([NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000888099123 635546477 /nfs/dbraw/zinc/54/64/77/635546477.db2.gz VFEUMHXDQUYLCT-XQLPTFJDSA-N 1 0 310.438 2.256 50 0 DEAARO C[C@](O)(C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000848527863 647171344 /nfs/dbraw/zinc/17/13/44/647171344.db2.gz IVHBYNXJJZLHFI-SJORKVTESA-N 1 0 324.490 2.189 50 0 DEAARO COc1ccccc1/C=C/CN1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012704350 683844078 /nfs/dbraw/zinc/84/40/78/683844078.db2.gz CUIPWHHFEVOJET-JKNJVXJCSA-N 1 0 304.434 2.361 50 0 DEAARO Nc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000019147544 683858104 /nfs/dbraw/zinc/85/81/04/683858104.db2.gz PDERTZSTNWZCNZ-KRWDZBQOSA-N 1 0 324.428 2.101 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)CC1 ZINC000072174260 683928707 /nfs/dbraw/zinc/92/87/07/683928707.db2.gz GYHWUOMACLYCKY-CYBMUJFWSA-N 1 0 313.405 2.028 50 0 DEAARO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000863984514 686602650 /nfs/dbraw/zinc/60/26/50/686602650.db2.gz VXTSTNLRKOOKEV-YVEFUNNKSA-N 1 0 307.413 2.075 50 0 DEAARO CCn1cc(C[NH+]2CCC(F)(C(=O)N3CCCC3)CC2)c(C)n1 ZINC000581817901 777841267 /nfs/dbraw/zinc/84/12/67/777841267.db2.gz AQCZZLYAOJYLHI-UHFFFAOYSA-N 1 0 322.428 2.138 50 0 DEAARO COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000824313075 783591742 /nfs/dbraw/zinc/59/17/42/783591742.db2.gz MDFAVYQOMAPDFU-HNNXBMFYSA-N 1 0 319.405 2.084 50 0 DEAARO CO[C@H]1COC[C@@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000824506604 783597441 /nfs/dbraw/zinc/59/74/41/783597441.db2.gz JXLKACKGPONMRW-HOCLYGCPSA-N 1 0 310.825 2.312 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCCNc1nccc2cccnc21 ZINC000828710956 783841760 /nfs/dbraw/zinc/84/17/60/783841760.db2.gz RFPVMGWTCXLESY-OAHLLOKOSA-N 1 0 300.406 2.279 50 0 DEAARO O=C(C1CC1)N1CCC2(CC1)C[C@H]([NH+]1CCCCC1)CCO2 ZINC000581784406 784777971 /nfs/dbraw/zinc/77/79/71/784777971.db2.gz XAYADDXOAFZCNN-MRXNPFEDSA-N 1 0 306.450 2.423 50 0 DEAARO CCn1ccc(C(=O)N2CCC(CC3CC3)([NH+](C)C)CC2)n1 ZINC000581811314 784782686 /nfs/dbraw/zinc/78/26/86/784782686.db2.gz UGLFYXPQCQOPLM-UHFFFAOYSA-N 1 0 304.438 2.240 50 0 DEAARO CCN1C(=O)[C@H]2CC3(CN2C1=O)CC[NH+](C1CCCCC1)CC3 ZINC000581803626 784785016 /nfs/dbraw/zinc/78/50/16/784785016.db2.gz OQUQPCYXVNLPPU-OAHLLOKOSA-N 1 0 319.449 2.458 50 0 DEAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581807468 784786117 /nfs/dbraw/zinc/78/61/17/784786117.db2.gz HSOGQSDSJOBHKW-OAHLLOKOSA-N 1 0 317.364 2.491 50 0 DEAARO NC(=O)[C@@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000585116621 789703186 /nfs/dbraw/zinc/70/31/86/789703186.db2.gz CTXTVCJRXSLSAM-JKSUJKDBSA-N 1 0 324.380 2.116 50 0 DEAARO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCN1C)[C@@H]1C[C@H]1c1cccs1 ZINC000952963228 792809264 /nfs/dbraw/zinc/80/92/64/792809264.db2.gz DVWHMOUZHWLUOE-RFBLXINOSA-N 1 0 307.507 2.464 50 0 DEAARO CC[C@H](C(=O)NCC1(O)C2CC3CC(C2)CC1C3)[N@H+](C)CC ZINC000952973394 792834821 /nfs/dbraw/zinc/83/48/21/792834821.db2.gz XMGWCIQOVBYMAT-PKSOCPPESA-N 1 0 308.466 2.020 50 0 DEAARO Cc1nc(SCC[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 ZINC000952978603 792844041 /nfs/dbraw/zinc/84/40/41/792844041.db2.gz RSUCTTIDULIHBR-CYBMUJFWSA-N 1 0 321.425 2.213 50 0 DEAARO CCCN1C[C@H]([NH2+]Cc2cc3cccc(C)c3[nH]c2=O)CC1=O ZINC000952968819 792850592 /nfs/dbraw/zinc/85/05/92/792850592.db2.gz PNLVPLWFBNAJQM-OAHLLOKOSA-N 1 0 313.401 2.349 50 0 DEAARO Cc1cccc(CCC[NH+]2CCC(O)(c3ncnn3C)CC2)c1 ZINC000952991973 792853454 /nfs/dbraw/zinc/85/34/54/792853454.db2.gz GQKUDAKFFPJUBH-UHFFFAOYSA-N 1 0 314.433 2.040 50 0 DEAARO Cc1ncnc(C)c1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC001529112972 1070863899 /nfs/dbraw/zinc/86/38/99/1070863899.db2.gz WDIDTXNMFISMPU-UHFFFAOYSA-N 1 0 302.422 2.041 50 0 DEAARO C[C@@H](C(=O)Nc1nnc(CC[NH+](C)C)s1)c1ccccc1 ZINC001529120652 1070865476 /nfs/dbraw/zinc/86/54/76/1070865476.db2.gz HKMCDOZCEOICGJ-LLVKDONJSA-N 1 0 304.419 2.384 50 0 DEAARO CCc1cc(N(C)Cc2nccn2CC)nc(N2CCCC2)[nH+]1 ZINC001529126029 1070870859 /nfs/dbraw/zinc/87/08/59/1070870859.db2.gz OGVWWMWZTBBQRX-UHFFFAOYSA-N 1 0 314.437 2.492 50 0 DEAARO COc1ccc(NC(C)(C)C(=O)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001506399306 1061940585 /nfs/dbraw/zinc/94/05/85/1061940585.db2.gz MCCXJPZGJKVSNA-AWEZNQCLSA-N 1 0 319.449 2.486 50 0 DEAARO Cc1nncn1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC001506406444 1061946686 /nfs/dbraw/zinc/94/66/86/1061946686.db2.gz KPBVKZBUFQGOTH-UHFFFAOYSA-N 1 0 300.406 2.268 50 0 DEAARO Cc1nncn1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001506404524 1061947976 /nfs/dbraw/zinc/94/79/76/1061947976.db2.gz DZQYWCJZYVUYDG-UHFFFAOYSA-N 1 0 305.813 2.062 50 0 DEAARO C[NH+]1CCC(c2nnc3sc(-c4ccncc4)nn32)CC1 ZINC000951723481 1081573463 /nfs/dbraw/zinc/57/34/63/1081573463.db2.gz SNFZDNZNBTYQGT-UHFFFAOYSA-N 1 0 300.391 2.057 50 0 DEAARO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)[nH]n1 ZINC000821439089 1090598639 /nfs/dbraw/zinc/59/86/39/1090598639.db2.gz OXYIHUCUUMITOJ-LBPRGKRZSA-N 1 0 316.405 2.268 50 0 DEAARO Cc1nn(C[C@H](C)[NH2+]C2(C(N)=O)CCCCC2)c(C)c1Cl ZINC000821826790 1090612988 /nfs/dbraw/zinc/61/29/88/1090612988.db2.gz GYGSASGIVSGLBL-JTQLQIEISA-N 1 0 312.845 2.320 50 0 DEAARO CCCn1nc(CC(N)=O)nc1[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000823033170 1090660108 /nfs/dbraw/zinc/66/01/08/1090660108.db2.gz YNZSTCZCGUHSCH-GFCCVEGCSA-N 1 0 307.442 2.041 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCc1ccccc1-2 ZINC000095473616 185372907 /nfs/dbraw/zinc/37/29/07/185372907.db2.gz GBBFLXAHVHNMGS-CQSZACIVSA-N 1 0 324.428 2.389 50 0 DEAARO O=C(NCC[NH+]1CCCC1)Nc1ccc2occc(=O)c2c1 ZINC000095503117 185375101 /nfs/dbraw/zinc/37/51/01/185375101.db2.gz SZEHSTIDWKLNEU-UHFFFAOYSA-N 1 0 301.346 2.010 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCCO1 ZINC000044892567 295659947 /nfs/dbraw/zinc/65/99/47/295659947.db2.gz ULNYLIVWTBWNRX-KGLIPLIRSA-N 1 0 323.462 2.363 50 0 DEAARO COc1cc2cccnc2c(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000095512670 185376573 /nfs/dbraw/zinc/37/65/73/185376573.db2.gz DBFBBEAMBJMCCR-UHFFFAOYSA-N 1 0 314.389 2.413 50 0 DEAARO C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000078932509 185130467 /nfs/dbraw/zinc/13/04/67/185130467.db2.gz FPMCHUIGXNGACX-KBPBESRZSA-N 1 0 320.408 2.445 50 0 DEAARO C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000078932493 185130721 /nfs/dbraw/zinc/13/07/21/185130721.db2.gz FPMCHUIGXNGACX-UONOGXRCSA-N 1 0 320.408 2.445 50 0 DEAARO CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000079311838 185164700 /nfs/dbraw/zinc/16/47/00/185164700.db2.gz JKPLWDNNLPJTJD-QGZVFWFLSA-N 1 0 302.418 2.245 50 0 DEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](C(C)C)CC1 ZINC000082171002 185174436 /nfs/dbraw/zinc/17/44/36/185174436.db2.gz GSGJZYIFWQEOTD-UHFFFAOYSA-N 1 0 305.470 2.482 50 0 DEAARO OCc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)o1 ZINC000088755528 185263824 /nfs/dbraw/zinc/26/38/24/185263824.db2.gz BYKROKKZBPIRSM-NSHDSACASA-N 1 0 308.328 2.419 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000089948723 185270712 /nfs/dbraw/zinc/27/07/12/185270712.db2.gz WQMVKXFSGSUEJP-IACUBPJLSA-N 1 0 308.426 2.491 50 0 DEAARO CCCn1nc(C)c(C[NH2+]CCc2nnc3ccccn32)c1C ZINC000089960635 185272049 /nfs/dbraw/zinc/27/20/49/185272049.db2.gz HYGWFQIUZVCQIV-UHFFFAOYSA-N 1 0 312.421 2.285 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sc(CC)nc2C)C1 ZINC000090409916 185294620 /nfs/dbraw/zinc/29/46/20/185294620.db2.gz GQYDGXYFEXMGRJ-ZYHUDNBSSA-N 1 0 310.467 2.468 50 0 DEAARO Cn1nncc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000092405711 185316528 /nfs/dbraw/zinc/31/65/28/185316528.db2.gz QICHRJARSXBQFH-UHFFFAOYSA-N 1 0 311.433 2.090 50 0 DEAARO O=C1CCCN1CC[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082134930 192360982 /nfs/dbraw/zinc/36/09/82/192360982.db2.gz XCXDSWFDDDVQCM-MRXNPFEDSA-N 1 0 316.449 2.095 50 0 DEAARO Cc1ccc(-n2nc(C(=O)N3CCC([NH3+])CC3)c3c2CCC3)cc1 ZINC000096999916 185395835 /nfs/dbraw/zinc/39/58/35/185395835.db2.gz ZGBRLSFMCHVFQA-UHFFFAOYSA-N 1 0 324.428 2.233 50 0 DEAARO O=C(C[N@H+](C1CC1)C1Cc2ccccc2C1)NCc1cccnc1 ZINC000095395055 185352588 /nfs/dbraw/zinc/35/25/88/185352588.db2.gz UELVYRQFULTJLH-UHFFFAOYSA-N 1 0 321.424 2.330 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000097002805 185396508 /nfs/dbraw/zinc/39/65/08/185396508.db2.gz SXTUHGNHDSCXOC-LLVKDONJSA-N 1 0 320.817 2.242 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000095432042 185363426 /nfs/dbraw/zinc/36/34/26/185363426.db2.gz WUVCMSQVRCYPDH-AWEZNQCLSA-N 1 0 308.378 2.112 50 0 DEAARO [NH3+][C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000095432032 185363529 /nfs/dbraw/zinc/36/35/29/185363529.db2.gz DCPOXAFWNFJFEC-OAHLLOKOSA-N 1 0 324.833 2.459 50 0 DEAARO Cc1cccnc1NC(=O)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095444972 185367280 /nfs/dbraw/zinc/36/72/80/185367280.db2.gz COBVDERTKUVPGQ-HZPDHXFCSA-N 1 0 317.433 2.344 50 0 DEAARO CSc1ccc2c(C)cc(N[C@@H]3CC[NH2+]C[C@H]3O)nc2c1 ZINC000077537869 539363006 /nfs/dbraw/zinc/36/30/06/539363006.db2.gz XESKNHYGWCVHPI-UKRRQHHQSA-N 1 0 303.431 2.400 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)CCC[C@H](O)c1ccccc1 ZINC000328597113 529901344 /nfs/dbraw/zinc/90/13/44/529901344.db2.gz DOFSAUYMOPMLRZ-KRWDZBQOSA-N 1 0 304.434 2.443 50 0 DEAARO Cc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1-n1cncn1 ZINC000085332979 539399861 /nfs/dbraw/zinc/39/98/61/539399861.db2.gz IUDDFOSURUCYME-RBUKOAKNSA-N 1 0 320.396 2.324 50 0 DEAARO CC(C)Nc1cccc(C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000084620711 539397708 /nfs/dbraw/zinc/39/77/08/539397708.db2.gz HERYGFWSZGEAEI-UHFFFAOYSA-N 1 0 319.449 2.084 50 0 DEAARO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 ZINC000084714895 539398126 /nfs/dbraw/zinc/39/81/26/539398126.db2.gz PQCJAFHPGVNZHI-SUMWQHHRSA-N 1 0 302.418 2.432 50 0 DEAARO Cc1cccc(C2=CC[N@H+](CCCNS(C)(=O)=O)CC2)c1 ZINC000092822344 539428099 /nfs/dbraw/zinc/42/80/99/539428099.db2.gz HFFUCEYWOXTLTP-UHFFFAOYSA-N 1 0 308.447 2.023 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000133343194 185975467 /nfs/dbraw/zinc/97/54/67/185975467.db2.gz XPLLSRRCZVBCHI-INIZCTEOSA-N 1 0 320.408 2.084 50 0 DEAARO CC[C@@H]1CN(Cc2ccc(O)c(C(=O)OC)c2)CC[N@@H+]1C(C)C ZINC000072138928 191048585 /nfs/dbraw/zinc/04/85/85/191048585.db2.gz YRCYOEWJEQLDPP-OAHLLOKOSA-N 1 0 320.433 2.483 50 0 DEAARO O=C1[C@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCN1c1ccccc1 ZINC000072274836 191096530 /nfs/dbraw/zinc/09/65/30/191096530.db2.gz ZOKDBHGUJSGGNP-WMLDXEAASA-N 1 0 310.401 2.395 50 0 DEAARO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccnc(N)c2)C1 ZINC000225616941 186283869 /nfs/dbraw/zinc/28/38/69/186283869.db2.gz NVBRTUQKXKUMJJ-TZMCWYRMSA-N 1 0 306.410 2.010 50 0 DEAARO CCOc1ccc(Cl)cc1CN(C)C[C@]1(O)CCC[NH2+]C1 ZINC000072431432 191162932 /nfs/dbraw/zinc/16/29/32/191162932.db2.gz WSVMYXFDEHBMFY-INIZCTEOSA-N 1 0 312.841 2.285 50 0 DEAARO Cc1ccc([C@H](CCO)Nc2ncnc3c2CC[NH2+]CC3)cc1 ZINC000072479980 191181555 /nfs/dbraw/zinc/18/15/55/191181555.db2.gz LUJALGGLHDFFLC-INIZCTEOSA-N 1 0 312.417 2.009 50 0 DEAARO CN(CCC[NH+](C)C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072469660 191175434 /nfs/dbraw/zinc/17/54/34/191175434.db2.gz MMVLOVMNPYBJSR-UHFFFAOYSA-N 1 0 306.450 2.414 50 0 DEAARO Cc1cc(C[NH2+]CC2(O)CCOCC2)ccc1Br ZINC000072737949 191224096 /nfs/dbraw/zinc/22/40/96/191224096.db2.gz UZIOLIWOYURIAE-UHFFFAOYSA-N 1 0 314.223 2.389 50 0 DEAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000002582544 180937766 /nfs/dbraw/zinc/93/77/66/180937766.db2.gz YHXJVYHUCPESGQ-SNVBAGLBSA-N 1 0 319.142 2.244 50 0 DEAARO CC1(C)[C@@]2(C(=O)NCC[NH+]3CCCCC3)CC[C@]1(C)C(=O)C2 ZINC000004197203 181084794 /nfs/dbraw/zinc/08/47/94/181084794.db2.gz XJAIXLYFCYJXRN-MSOLQXFVSA-N 1 0 306.450 2.374 50 0 DEAARO CC[NH+](CC)CCCNC(=O)c1nc(-c2cccs2)no1 ZINC000004769945 181149594 /nfs/dbraw/zinc/14/95/94/181149594.db2.gz DNFHAVLLBFUULO-UHFFFAOYSA-N 1 0 308.407 2.260 50 0 DEAARO COc1cc(C[NH2+]CCO)ccc1OCCc1ccccc1 ZINC000004810700 181154946 /nfs/dbraw/zinc/15/49/46/181154946.db2.gz MREZDALSKLHKNZ-UHFFFAOYSA-N 1 0 301.386 2.399 50 0 DEAARO CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000072277932 354900224 /nfs/dbraw/zinc/90/02/24/354900224.db2.gz KQCVBIJRBAWNBA-KBPBESRZSA-N 1 0 320.437 2.383 50 0 DEAARO C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000074098096 355004877 /nfs/dbraw/zinc/00/48/77/355004877.db2.gz VXYXPTDQZKJCEB-YUELXQCFSA-N 1 0 323.462 2.014 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1cscn1 ZINC000076042666 355120679 /nfs/dbraw/zinc/12/06/79/355120679.db2.gz AJLUKFRRKHYHHD-SWLSCSKDSA-N 1 0 306.435 2.361 50 0 DEAARO Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C[N@H+](C)C1CC1 ZINC000075604414 355095661 /nfs/dbraw/zinc/09/56/61/355095661.db2.gz RRFPLYJVBNHLAW-LBPRGKRZSA-N 1 0 310.829 2.140 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000075606204 355095988 /nfs/dbraw/zinc/09/59/88/355095988.db2.gz VWIBHNDSNJNHNS-HOTGVXAUSA-N 1 0 322.836 2.320 50 0 DEAARO C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CN1C1CC1 ZINC000079073654 355294874 /nfs/dbraw/zinc/29/48/74/355294874.db2.gz IPTGHYXYGVCAFM-LRDDRELGSA-N 1 0 320.408 2.450 50 0 DEAARO Fc1cc(Cl)cnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079296139 355304125 /nfs/dbraw/zinc/30/41/25/355304125.db2.gz BMXIXVBAKCWVDM-UHFFFAOYSA-N 1 0 313.804 2.423 50 0 DEAARO Cn1cc(CCC[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cn1 ZINC000078890807 355283343 /nfs/dbraw/zinc/28/33/43/355283343.db2.gz SRUXDXKEIVOBHU-HNNXBMFYSA-N 1 0 315.421 2.493 50 0 DEAARO COc1ccc(CC[NH+]2CCC(N3CCN(C)C3=O)CC2)cc1 ZINC000075604074 191498408 /nfs/dbraw/zinc/49/84/08/191498408.db2.gz CZBLLMWTBZNBQJ-UHFFFAOYSA-N 1 0 317.433 2.070 50 0 DEAARO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000084687068 355485518 /nfs/dbraw/zinc/48/55/18/355485518.db2.gz AWDGRYIXQJHBKA-DAXOMENPSA-N 1 0 315.417 2.105 50 0 DEAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000084736232 355485847 /nfs/dbraw/zinc/48/58/47/355485847.db2.gz WHJLGNFFUYUWGO-CFMJQPPZSA-N 1 0 322.474 2.350 50 0 DEAARO CC[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1[NH+](C)C ZINC000089948531 355549632 /nfs/dbraw/zinc/54/96/32/355549632.db2.gz AOFPRFQNBWSXQY-GDBMZVCRSA-N 1 0 317.433 2.283 50 0 DEAARO COc1ccc(CCC[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1F ZINC000097103877 355702388 /nfs/dbraw/zinc/70/23/88/355702388.db2.gz PWTPBFRWCHSFHK-HNNXBMFYSA-N 1 0 308.397 2.367 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1n[nH]c2ccccc12 ZINC000110993373 355745786 /nfs/dbraw/zinc/74/57/86/355745786.db2.gz WSCZBSKASYUPFT-ZDUSSCGKSA-N 1 0 300.406 2.096 50 0 DEAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000005165015 181212719 /nfs/dbraw/zinc/21/27/19/181212719.db2.gz NBYZXJNMGRLEDE-INIZCTEOSA-N 1 0 316.401 2.349 50 0 DEAARO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2O)[C@H]1c1ccccc1 ZINC000248129975 283126408 /nfs/dbraw/zinc/12/64/08/283126408.db2.gz WGSYHLNFTVLWCC-YYIAUSFCSA-N 1 0 317.433 2.035 50 0 DEAARO Cc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1O ZINC000193547665 356226801 /nfs/dbraw/zinc/22/68/01/356226801.db2.gz CWGSBXIAFNNPAU-OAHLLOKOSA-N 1 0 304.390 2.283 50 0 DEAARO Cn1cnnc1C[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1 ZINC000195570311 356257657 /nfs/dbraw/zinc/25/76/57/356257657.db2.gz QCKFDPOZDSNOCH-JKSUJKDBSA-N 1 0 300.406 2.433 50 0 DEAARO C[NH+]1CCN(CCCSc2n[nH]c(-c3cccs3)n2)CC1 ZINC000195568202 356257770 /nfs/dbraw/zinc/25/77/70/356257770.db2.gz NHWOMOCEVKELJI-UHFFFAOYSA-N 1 0 323.491 2.263 50 0 DEAARO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ncc[nH]1 ZINC000225631877 356277327 /nfs/dbraw/zinc/27/73/27/356277327.db2.gz DXFIVCUZHTXMRN-GOEBONIOSA-N 1 0 300.406 2.134 50 0 DEAARO CC(C)[C@H](O)CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248937917 356326221 /nfs/dbraw/zinc/32/62/21/356326221.db2.gz YLUPYHREGRSTFZ-HYVNUMGLSA-N 1 0 304.434 2.030 50 0 DEAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@H]1CCO ZINC000585094452 540256324 /nfs/dbraw/zinc/25/63/24/540256324.db2.gz HFNPBAWLVXABQS-LRDDRELGSA-N 1 0 323.412 2.219 50 0 DEAARO CCCCC[C@]1(C(=O)OCC)C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000005846590 181289266 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Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000195258047 201367731 /nfs/dbraw/zinc/36/77/31/201367731.db2.gz LGRXBCLWBOACCM-HNNXBMFYSA-N 1 0 319.478 2.102 50 0 DEAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000195558636 201409756 /nfs/dbraw/zinc/40/97/56/201409756.db2.gz OMWABDPAVXOMKW-LXTVHRRPSA-N 1 0 310.438 2.301 50 0 DEAARO C[N@@H+]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000006699540 181372357 /nfs/dbraw/zinc/37/23/57/181372357.db2.gz HIYCABOSQJDXAN-UHFFFAOYSA-N 1 0 300.761 2.022 50 0 DEAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC(=O)N1CCOCC1 ZINC000091309396 193036512 /nfs/dbraw/zinc/03/65/12/193036512.db2.gz ZHPBBRXKVODAPN-CYBMUJFWSA-N 1 0 310.825 2.110 50 0 DEAARO O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1CCO ZINC000091444796 193056778 /nfs/dbraw/zinc/05/67/78/193056778.db2.gz HKHMELWDWYBLBV-MRXNPFEDSA-N 1 0 306.450 2.040 50 0 DEAARO CC[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)n1cccn1 ZINC000091326534 193039783 /nfs/dbraw/zinc/03/97/83/193039783.db2.gz 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ZINC000091770254 193104994 /nfs/dbraw/zinc/10/49/94/193104994.db2.gz DIMIKEYAUGCKQZ-HNNXBMFYSA-N 1 0 324.384 2.477 50 0 DEAARO O=S(=O)(C1CC1)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000092047040 193146944 /nfs/dbraw/zinc/14/69/44/193146944.db2.gz DNDQKSIXFLYKRM-HZPDHXFCSA-N 1 0 320.458 2.075 50 0 DEAARO Cc1nc(CC(C)C)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)n1 ZINC000092080611 193155196 /nfs/dbraw/zinc/15/51/96/193155196.db2.gz WZXBFQBOCUEIRE-GOEBONIOSA-N 1 0 316.449 2.150 50 0 DEAARO Cc1cc(=O)oc2cc(NC(=S)NCCC[NH+](C)C)ccc12 ZINC000007065283 181437286 /nfs/dbraw/zinc/43/72/86/181437286.db2.gz ZGSHSYLZKCKTKP-UHFFFAOYSA-N 1 0 319.430 2.340 50 0 DEAARO O=C([C@H]1CCC[NH2+]1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000261779744 203115220 /nfs/dbraw/zinc/11/52/20/203115220.db2.gz TVNAVLXHANRWLI-HZPDHXFCSA-N 1 0 322.836 2.364 50 0 DEAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000093614141 193273572 /nfs/dbraw/zinc/27/35/72/193273572.db2.gz NSVMRWNXWCNYGE-DLBZAZTESA-N 1 0 305.418 2.447 50 0 DEAARO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c[nH]cn3)CC2)C[C@H](C)O1 ZINC000093844313 193316971 /nfs/dbraw/zinc/31/69/71/193316971.db2.gz CDVYWZUPBTVDOH-GASCZTMLSA-N 1 0 306.454 2.121 50 0 DEAARO C[C@@H]1C[NH+](CCC2CCN(Cc3c[nH]cn3)CC2)C[C@@H](C)O1 ZINC000093844315 193316996 /nfs/dbraw/zinc/31/69/96/193316996.db2.gz CDVYWZUPBTVDOH-HUUCEWRRSA-N 1 0 306.454 2.121 50 0 DEAARO CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000265910558 204963446 /nfs/dbraw/zinc/96/34/46/204963446.db2.gz XMSYNOVPUSICNY-HUUCEWRRSA-N 1 0 310.463 2.198 50 0 DEAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000017052278 182070582 /nfs/dbraw/zinc/07/05/82/182070582.db2.gz ZGITYRGWNAXOBE-LBPRGKRZSA-N 1 0 313.195 2.156 50 0 DEAARO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN2CC)c1 ZINC000019365404 182118864 /nfs/dbraw/zinc/11/88/64/182118864.db2.gz QVEYJYLYMHELRN-IRXDYDNUSA-N 1 0 306.450 2.063 50 0 DEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000019732559 182139661 /nfs/dbraw/zinc/13/96/61/182139661.db2.gz PYZQUMHYZPZHEQ-MRXNPFEDSA-N 1 0 321.421 2.018 50 0 DEAARO C[C@@H]1C[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000019790652 182149286 /nfs/dbraw/zinc/14/92/86/182149286.db2.gz GLKNABKGKCGHNA-XJKCOSOUSA-N 1 0 313.825 2.327 50 0 DEAARO OCCCc1cn(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)nn1 ZINC000020201356 182196888 /nfs/dbraw/zinc/19/68/88/182196888.db2.gz MSYRTWHYNGXNNA-MRXNPFEDSA-N 1 0 318.465 2.271 50 0 DEAARO OCC[C@@H]1C[N@@H+](C2CCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020453920 182219477 /nfs/dbraw/zinc/21/94/77/182219477.db2.gz ZINUKPVQTFCKFA-OAHLLOKOSA-N 1 0 310.388 2.386 50 0 DEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020563981 182232184 /nfs/dbraw/zinc/23/21/84/182232184.db2.gz ZVYICORZGXPMKZ-CQSZACIVSA-N 1 0 317.389 2.160 50 0 DEAARO CCC[NH+]1CCN(C(=O)C2=Cc3cc(OC)ccc3OC2)CC1 ZINC000021095205 182264778 /nfs/dbraw/zinc/26/47/78/182264778.db2.gz NTIZSWSNKNUXDZ-UHFFFAOYSA-N 1 0 316.401 2.025 50 0 DEAARO COc1cccc([C@@H](CNC(=O)Nc2cc(C)on2)[NH+](C)C)c1 ZINC000021835753 182294344 /nfs/dbraw/zinc/29/43/44/182294344.db2.gz WIZZJLBQVCABHB-CQSZACIVSA-N 1 0 318.377 2.416 50 0 DEAARO COc1cc(CN(C)CC[NH+](C)C)cc(Br)c1O ZINC000022455139 182322004 /nfs/dbraw/zinc/32/20/04/182322004.db2.gz XKXWEHDABFQVFU-UHFFFAOYSA-N 1 0 317.227 2.157 50 0 DEAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(CCO)CC1 ZINC000022455256 182322516 /nfs/dbraw/zinc/32/25/16/182322516.db2.gz GIDLZVYGGALBFA-ZDUSSCGKSA-N 1 0 316.367 2.246 50 0 DEAARO CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000022915765 182341104 /nfs/dbraw/zinc/34/11/04/182341104.db2.gz XKBNKJPGGGNQOJ-AWEZNQCLSA-N 1 0 307.413 2.489 50 0 DEAARO Cn1cc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)cn1 ZINC000030556634 182592618 /nfs/dbraw/zinc/59/26/18/182592618.db2.gz LWXIPAIESFJHHU-CMDGGOBGSA-N 1 0 324.428 2.346 50 0 DEAARO CC[NH+](CC)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1 ZINC000032871823 182673470 /nfs/dbraw/zinc/67/34/70/182673470.db2.gz OHANKRIBZDHUBB-AWEZNQCLSA-N 1 0 311.393 2.014 50 0 DEAARO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCCC3)[nH]n2)s1 ZINC000040069085 183030740 /nfs/dbraw/zinc/03/07/40/183030740.db2.gz VXKJNGQZDBOCMR-UHFFFAOYSA-N 1 0 304.419 2.272 50 0 DEAARO CCOC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000040534236 183094552 /nfs/dbraw/zinc/09/45/52/183094552.db2.gz VPKMQQSJDWOPKB-UHFFFAOYSA-N 1 0 319.405 2.471 50 0 DEAARO CC(C)(C)c1cccc(OCCNC(=O)C2CC[NH2+]CC2)c1 ZINC000041530407 183197951 /nfs/dbraw/zinc/19/79/51/183197951.db2.gz CGYGMXJUYQNUKF-UHFFFAOYSA-N 1 0 304.434 2.479 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C1 ZINC000493309246 249274796 /nfs/dbraw/zinc/27/47/96/249274796.db2.gz XJIJSQMKVZVRMB-UXHZXRBQSA-N 1 0 324.428 2.344 50 0 DEAARO CC[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000043143506 183340426 /nfs/dbraw/zinc/34/04/26/183340426.db2.gz VVZIKUFPJWVPES-QWHCGFSZSA-N 1 0 311.451 2.171 50 0 DEAARO CCn1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000043645831 183376798 /nfs/dbraw/zinc/37/67/98/183376798.db2.gz DJRILPYKTXRZFQ-CQSZACIVSA-N 1 0 317.393 2.455 50 0 DEAARO COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1F ZINC000105796655 194130465 /nfs/dbraw/zinc/13/04/65/194130465.db2.gz MCHICODLPGULMY-UHFFFAOYSA-N 1 0 304.369 2.342 50 0 DEAARO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000106159004 194189619 /nfs/dbraw/zinc/18/96/19/194189619.db2.gz FZXJHZVYERREGZ-GOEBONIOSA-N 1 0 318.417 2.255 50 0 DEAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000110632145 194344807 /nfs/dbraw/zinc/34/48/07/194344807.db2.gz YEEFDXAVUKNBLG-YJBOKZPZSA-N 1 0 316.445 2.491 50 0 DEAARO Cc1cc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)on1 ZINC000058172229 184084254 /nfs/dbraw/zinc/08/42/54/184084254.db2.gz VQHXWYCSZLYMBG-UHFFFAOYSA-N 1 0 308.426 2.245 50 0 DEAARO O=C(CSCc1ccncc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058357354 184108756 /nfs/dbraw/zinc/10/87/56/184108756.db2.gz COSIMNTXZCRVRY-INIZCTEOSA-N 1 0 319.474 2.402 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)/C=C/c2cnn(C)c2)C1 ZINC000058379189 184110514 /nfs/dbraw/zinc/11/05/14/184110514.db2.gz YTDLXCNHLWQMEE-WLBISTCBSA-N 1 0 318.465 2.306 50 0 DEAARO C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2Oc2cccnc2)C1 ZINC000058391454 184111505 /nfs/dbraw/zinc/11/15/05/184111505.db2.gz CXLTZPIEGUBWIG-CYBMUJFWSA-N 1 0 312.373 2.093 50 0 DEAARO Cc1nccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000058304778 184103018 /nfs/dbraw/zinc/10/30/18/184103018.db2.gz QAJBYFMJHJBDFN-KRWDZBQOSA-N 1 0 310.401 2.066 50 0 DEAARO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058328638 184105907 /nfs/dbraw/zinc/10/59/07/184105907.db2.gz ZNPCTJIEZURZKN-RDJZCZTQSA-N 1 0 320.408 2.333 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c(C)nn1C ZINC000058393353 184112472 /nfs/dbraw/zinc/11/24/72/184112472.db2.gz HGMPMXDNSSKANX-INIZCTEOSA-N 1 0 302.422 2.130 50 0 DEAARO COc1c(C[NH2+]C[C@H]2CCN(C)c3ccccc32)c(C)nn1C ZINC000058402104 184113125 /nfs/dbraw/zinc/11/31/25/184113125.db2.gz NOJTWPHKTOVVAP-CQSZACIVSA-N 1 0 314.433 2.450 50 0 DEAARO CC[C@H](C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000058401464 184113204 /nfs/dbraw/zinc/11/32/04/184113204.db2.gz ZPAVKPMHGHHHGE-NSHDSACASA-N 1 0 305.378 2.141 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)COc1ccc(F)cc1 ZINC000058421766 184116188 /nfs/dbraw/zinc/11/61/88/184116188.db2.gz RZFFZMYBPXYSGS-GFCCVEGCSA-N 1 0 320.412 2.491 50 0 DEAARO CO[C@H](C[NH2+]Cc1c(C)nn(C)c1N(C)C)c1ccccc1 ZINC000058428955 184116797 /nfs/dbraw/zinc/11/67/97/184116797.db2.gz BMRLPUNSQUOHCF-MRXNPFEDSA-N 1 0 302.422 2.272 50 0 DEAARO C[C@H](C1CC1)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000060977001 184159149 /nfs/dbraw/zinc/15/91/49/184159149.db2.gz UCJAAJCWUBODRU-GFCCVEGCSA-N 1 0 312.435 2.294 50 0 DEAARO Fc1cccc(-n2ccc(C[NH+]3CCC4(CC3)OCCO4)n2)c1 ZINC000064556345 184299660 /nfs/dbraw/zinc/29/96/60/184299660.db2.gz OQOZIVABNMWLEE-UHFFFAOYSA-N 1 0 317.364 2.350 50 0 DEAARO CC1=NO[C@](C)(C[NH2+]CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000065394971 184334682 /nfs/dbraw/zinc/33/46/82/184334682.db2.gz LHCGVESJDLLUPE-INIZCTEOSA-N 1 0 323.824 2.143 50 0 DEAARO CCc1ccc([C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000065255236 184318643 /nfs/dbraw/zinc/31/86/43/184318643.db2.gz JUAOWLOHBKXMFM-GOSISDBHSA-N 1 0 311.429 2.500 50 0 DEAARO COc1cccc(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)c1OC ZINC000065375938 184331022 /nfs/dbraw/zinc/33/10/22/184331022.db2.gz BPCSLYLRDOGSGK-HNNXBMFYSA-N 1 0 320.433 2.237 50 0 DEAARO Cn1ncc2c1nc(C[N@@H+]1CCC[C@H]1CC(C)(C)C)[nH]c2=O ZINC000065411510 184340142 /nfs/dbraw/zinc/34/01/42/184340142.db2.gz IXEVDBJCETXIGI-NSHDSACASA-N 1 0 303.410 2.470 50 0 DEAARO COc1cc2c(cc1CN(C)C[C@]1(C)CC[N@H+](C)C1)OCO2 ZINC000065426237 184343043 /nfs/dbraw/zinc/34/30/43/184343043.db2.gz XBROFZSKHIASIR-QGZVFWFLSA-N 1 0 306.406 2.198 50 0 DEAARO O=C(c1cccnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000065452007 184346913 /nfs/dbraw/zinc/34/69/13/184346913.db2.gz AHCFKNAHMSYZKH-CABCVRRESA-N 1 0 314.433 2.038 50 0 DEAARO O=C1CC2(CN1)CC[NH+](Cc1ccc3cccc(O)c3n1)CC2 ZINC000065455194 184347373 /nfs/dbraw/zinc/34/73/73/184347373.db2.gz WYDZAXUXQPMVJA-UHFFFAOYSA-N 1 0 311.385 2.043 50 0 DEAARO O=C([C@H]1CCC[N@@H+]1CCc1cccs1)N1CCSCC1 ZINC000065565431 184366893 /nfs/dbraw/zinc/36/68/93/184366893.db2.gz MIMWMYDIQGEWJZ-CQSZACIVSA-N 1 0 310.488 2.330 50 0 DEAARO COCCOCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000065588576 184369174 /nfs/dbraw/zinc/36/91/74/184369174.db2.gz OESODRITYYULJI-KRWDZBQOSA-N 1 0 322.449 2.157 50 0 DEAARO O[C@@H](COc1ccc(F)cc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065587280 184369638 /nfs/dbraw/zinc/36/96/38/184369638.db2.gz PBSDXEBTTZJRJE-DLBZAZTESA-N 1 0 322.424 2.126 50 0 DEAARO Nc1nc(CCC[NH2+]Cc2nc(-c3ccco3)no2)cs1 ZINC000065505821 184356576 /nfs/dbraw/zinc/35/65/76/184356576.db2.gz ALBXBLWWZPCQAE-UHFFFAOYSA-N 1 0 305.363 2.091 50 0 DEAARO O=C1Nc2ccccc2NC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC000077517516 284938678 /nfs/dbraw/zinc/93/86/78/284938678.db2.gz CWUBTLYIVXFLPY-ZDUSSCGKSA-N 1 0 301.390 2.064 50 0 DEAARO CC(=O)Nc1cccc([C@H](C)NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000065612287 184373715 /nfs/dbraw/zinc/37/37/15/184373715.db2.gz CCJJMFIRDQBXDN-ZDUSSCGKSA-N 1 0 320.437 2.345 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000065625875 184375438 /nfs/dbraw/zinc/37/54/38/184375438.db2.gz JDSVJQHXAFOLRN-CYBMUJFWSA-N 1 0 306.406 2.115 50 0 DEAARO COc1ccccc1CC[NH2+]C[C@@H]1CNc2cc(C)nn2C1 ZINC000065625514 184375590 /nfs/dbraw/zinc/37/55/90/184375590.db2.gz GUVLCXCGRNFHSR-CQSZACIVSA-N 1 0 300.406 2.074 50 0 DEAARO O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)N1CCOCC1 ZINC000069567711 184526768 /nfs/dbraw/zinc/52/67/68/184526768.db2.gz GOEURSKEPTYSHW-SFHVURJKSA-N 1 0 302.418 2.366 50 0 DEAARO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158242762 197255964 /nfs/dbraw/zinc/25/59/64/197255964.db2.gz JUWVITFSMYYUSW-WDEREUQCSA-N 1 0 316.323 2.422 50 0 DEAARO c1ccc(-c2nc(N3CCN(c4cc[nH+]cc4)CC3)no2)cc1 ZINC000156958926 197153095 /nfs/dbraw/zinc/15/30/95/197153095.db2.gz AJENVQNSGYOBAY-UHFFFAOYSA-N 1 0 307.357 2.458 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000156513832 197120106 /nfs/dbraw/zinc/12/01/06/197120106.db2.gz NOLNCLNPNJDJHW-JLJPHGGASA-N 1 0 302.418 2.276 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237495127 257238310 /nfs/dbraw/zinc/23/83/10/257238310.db2.gz VKVIJCKVHYZXQT-JQWIXIFHSA-N 1 0 316.323 2.422 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000237497183 257238512 /nfs/dbraw/zinc/23/85/12/257238512.db2.gz ZQSUOAOIHMLEMZ-KMFMINBZSA-N 1 0 318.417 2.196 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000237426515 257238596 /nfs/dbraw/zinc/23/85/96/257238596.db2.gz CEXIZQTXAZSXAS-VXGBXAGGSA-N 1 0 318.808 2.478 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCCOc1ccc(F)cc1F ZINC000237586706 257238813 /nfs/dbraw/zinc/23/88/13/257238813.db2.gz PPQWMLOEYJEYMT-WCQYABFASA-N 1 0 312.360 2.462 50 0 DEAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3csnn3)cc21 ZINC000073102751 257270907 /nfs/dbraw/zinc/27/09/07/257270907.db2.gz APRAXBACFZLSFY-UHFFFAOYSA-N 1 0 315.402 2.307 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H]2Cn2cccn2)CC1 ZINC000071866653 184876000 /nfs/dbraw/zinc/87/60/00/184876000.db2.gz UWJBGUCPNXQUAY-QGZVFWFLSA-N 1 0 318.465 2.242 50 0 DEAARO O=C(c1ccccc1-c1cncnc1)N1CC[NH+](CC2CC2)CC1 ZINC000071921770 184907206 /nfs/dbraw/zinc/90/72/06/184907206.db2.gz WJMKJWHDFQSNAN-UHFFFAOYSA-N 1 0 322.412 2.311 50 0 DEAARO CCOC(=O)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)Cc1ccccc1 ZINC000685944833 542768890 /nfs/dbraw/zinc/76/88/90/542768890.db2.gz BNWKZAUJKQBDBF-OIISXLGYSA-N 1 0 305.418 2.423 50 0 DEAARO c1[nH]nc2ncnc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)c12 ZINC000096404813 285570570 /nfs/dbraw/zinc/57/05/70/285570570.db2.gz IBRCJOBWFORTNE-CYBMUJFWSA-N 1 0 300.410 2.198 50 0 DEAARO CC(C)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000008171680 401749631 /nfs/dbraw/zinc/74/96/31/401749631.db2.gz PDOCOKNUBPUSJQ-ZFWWWQNUSA-N 1 0 317.433 2.334 50 0 DEAARO Cn1c[n+](C[C@H](O)COC[C@H]2CC=CCC2)c2ccccc21 ZINC000000098641 401688037 /nfs/dbraw/zinc/68/80/37/401688037.db2.gz KSRLZNAOMZZHQH-HOTGVXAUSA-N 1 0 301.410 2.200 50 0 DEAARO Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3c(C)noc3C)C2)no1 ZINC000071870487 401689892 /nfs/dbraw/zinc/68/98/92/401689892.db2.gz DQTRDIUFBUKCGC-CQSZACIVSA-N 1 0 319.409 2.079 50 0 DEAARO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000071874962 401690127 /nfs/dbraw/zinc/69/01/27/401690127.db2.gz CDTYKZBRRZXWQT-HOCLYGCPSA-N 1 0 303.406 2.220 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000071874960 401690408 /nfs/dbraw/zinc/69/04/08/401690408.db2.gz CDTYKZBRRZXWQT-GOEBONIOSA-N 1 0 303.406 2.220 50 0 DEAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000071896660 401693995 /nfs/dbraw/zinc/69/39/95/401693995.db2.gz DIYBCTUHFJOCLO-AWEZNQCLSA-N 1 0 319.449 2.016 50 0 DEAARO CCn1cc(C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)cn1 ZINC000072145449 401703725 /nfs/dbraw/zinc/70/37/25/401703725.db2.gz CMEBZBOOXGNUOJ-SFHVURJKSA-N 1 0 311.429 2.354 50 0 DEAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072164017 401703757 /nfs/dbraw/zinc/70/37/57/401703757.db2.gz DLMABJZIGHNHKC-OAHLLOKOSA-N 1 0 324.450 2.468 50 0 DEAARO O=C(N[C@@H]1CCc2nccn2C1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255113 401704274 /nfs/dbraw/zinc/70/42/74/401704274.db2.gz PYOZJMPLVYQFRS-AEFFLSMTSA-N 1 0 324.428 2.151 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000072269816 401705177 /nfs/dbraw/zinc/70/51/77/401705177.db2.gz UGYONDWQNZLQJA-GUTXKFCHSA-N 1 0 317.389 2.193 50 0 DEAARO COc1cc(C[C@H](C)[NH3+])c(OC)cc1I ZINC000002530693 401714830 /nfs/dbraw/zinc/71/48/30/401714830.db2.gz BGMZUEKZENQUJY-ZETCQYMHSA-N 1 0 321.158 2.198 50 0 in-vivo DEAARO CCC[NH+]1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000013324203 401798604 /nfs/dbraw/zinc/79/86/04/401798604.db2.gz KLADYYADINDDLZ-UHFFFAOYSA-N 1 0 314.788 2.412 50 0 DEAARO Cc1ccc(CS(=O)(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013668285 401802631 /nfs/dbraw/zinc/80/26/31/401802631.db2.gz KRCXNNQHCVCRTQ-UHFFFAOYSA-N 1 0 310.463 2.290 50 0 DEAARO CN(C)C(=O)N1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000075611413 401764266 /nfs/dbraw/zinc/76/42/66/401764266.db2.gz KAOWWGYHKTXTKM-UHFFFAOYSA-N 1 0 302.353 2.178 50 0 DEAARO CCCCC(=O)N1CCN(c2nc(NCC)cc(C)[nH+]2)CC1 ZINC000009620252 401764962 /nfs/dbraw/zinc/76/49/62/401764962.db2.gz BUWGDUAUAXTWBV-UHFFFAOYSA-N 1 0 305.426 2.056 50 0 DEAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cnccn1 ZINC000010281573 401769176 /nfs/dbraw/zinc/76/91/76/401769176.db2.gz DJJWWZAYFHTULP-UHFFFAOYSA-N 1 0 310.401 2.393 50 0 DEAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2=O)cc1F ZINC000075876409 401772135 /nfs/dbraw/zinc/77/21/35/401772135.db2.gz ADKAFEICQANEHT-OAHLLOKOSA-N 1 0 306.381 2.421 50 0 DEAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccco1 ZINC000011697806 401775886 /nfs/dbraw/zinc/77/58/86/401775886.db2.gz SHDQCMRZLXUWKX-UHFFFAOYSA-N 1 0 324.344 2.050 50 0 DEAARO COCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000011762076 401776176 /nfs/dbraw/zinc/77/61/76/401776176.db2.gz GCQGGIHATFBFQU-KRWDZBQOSA-N 1 0 304.434 2.046 50 0 DEAARO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)o1 ZINC000011878149 401777653 /nfs/dbraw/zinc/77/76/53/401777653.db2.gz FOBFNTIQLHYGRM-INIZCTEOSA-N 1 0 310.397 2.446 50 0 DEAARO COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000011952029 401778165 /nfs/dbraw/zinc/77/81/65/401778165.db2.gz IHNLXACJZYEYCI-CQSZACIVSA-N 1 0 316.380 2.383 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196088 401781326 /nfs/dbraw/zinc/78/13/26/401781326.db2.gz LVXMKALEQAKVQE-HNNXBMFYSA-N 1 0 312.369 2.448 50 0 DEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCCCC1 ZINC000012201458 401781744 /nfs/dbraw/zinc/78/17/44/401781744.db2.gz UHNMGGFUMROIPN-GOSISDBHSA-N 1 0 320.408 2.165 50 0 DEAARO CC[NH+](CC)C[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000012209289 401781886 /nfs/dbraw/zinc/78/18/86/401781886.db2.gz XSBKDVDRTAIRKN-SFHVURJKSA-N 1 0 304.434 2.190 50 0 DEAARO O=C(CCN1CCCO1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012584876 401788916 /nfs/dbraw/zinc/78/89/16/401788916.db2.gz CHLSCBLMOXZIJV-KRWDZBQOSA-N 1 0 323.481 2.175 50 0 DEAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](C)CC1 ZINC000012718848 401790712 /nfs/dbraw/zinc/79/07/12/401790712.db2.gz SXXREKPDCIHINT-UHFFFAOYSA-N 1 0 304.390 2.060 50 0 DEAARO CCC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020819082 401825265 /nfs/dbraw/zinc/82/52/65/401825265.db2.gz AGXFZDRRAZUHJX-KRWDZBQOSA-N 1 0 306.450 2.375 50 0 DEAARO Cc1n[nH]cc1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078394280 401849854 /nfs/dbraw/zinc/84/98/54/401849854.db2.gz ICMWZJKBFYWKPM-UHFFFAOYSA-N 1 0 308.426 2.455 50 0 DEAARO Cc1noc(C)c1Cc1ccc(C(=O)NCCC[NH+](C)C)o1 ZINC000028239933 401851081 /nfs/dbraw/zinc/85/10/81/401851081.db2.gz OJTHLINDZYXEKR-UHFFFAOYSA-N 1 0 305.378 2.157 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(c2ccccc2S(C)(=O)=O)C1 ZINC000078563728 401856330 /nfs/dbraw/zinc/85/63/30/401856330.db2.gz LBNKGHJMOSFBJH-AWEZNQCLSA-N 1 0 310.463 2.258 50 0 DEAARO Cc1nc(CN(C)[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000078890940 401868212 /nfs/dbraw/zinc/86/82/12/401868212.db2.gz LCJBMADSOILRRC-HNNXBMFYSA-N 1 0 304.369 2.223 50 0 DEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)cc1 ZINC000031225310 401869579 /nfs/dbraw/zinc/86/95/79/401869579.db2.gz FWBDOCHVLHSINR-UHFFFAOYSA-N 1 0 324.428 2.442 50 0 DEAARO O=C(C[N@@H+]1CCCC[C@H]1CCc1cccs1)N1CCOCC1 ZINC000077455677 401815669 /nfs/dbraw/zinc/81/56/69/401815669.db2.gz RNECBEBMQVGKRN-HNNXBMFYSA-N 1 0 322.474 2.394 50 0 DEAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(C)o3)C2)CCC1=O ZINC000077457381 401815962 /nfs/dbraw/zinc/81/59/62/401815962.db2.gz FBCHXQAVKMUPCK-SFHVURJKSA-N 1 0 320.433 2.439 50 0 DEAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H]1NC(C)=NO1 ZINC000032617173 401880317 /nfs/dbraw/zinc/88/03/17/401880317.db2.gz KKTBUZBHWXXRFL-KRWDZBQOSA-N 1 0 319.405 2.386 50 0 DEAARO CC[NH+](CC)CCNC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C ZINC000032611197 401880474 /nfs/dbraw/zinc/88/04/74/401880474.db2.gz 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NC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000047264556 401980228 /nfs/dbraw/zinc/98/02/28/401980228.db2.gz VDSQCNOROCPVDB-UHFFFAOYSA-N 1 0 316.323 2.325 50 0 DEAARO C[C@@H]1C[NH+](CCCNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1 ZINC000047681700 401987216 /nfs/dbraw/zinc/98/72/16/401987216.db2.gz YSHPNXRYLOIHAS-CHWSQXEVSA-N 1 0 322.474 2.466 50 0 DEAARO CC[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1 ZINC000047959104 401991444 /nfs/dbraw/zinc/99/14/44/401991444.db2.gz UUVFMVTWPDPNJG-UHFFFAOYSA-N 1 0 323.824 2.492 50 0 DEAARO CCOC(=O)N1CCC([NH2+]C[C@](C)(O)c2cccs2)CC1 ZINC000089156763 401937802 /nfs/dbraw/zinc/93/78/02/401937802.db2.gz YVXPOWFCUYSIAX-HNNXBMFYSA-N 1 0 312.435 2.166 50 0 DEAARO O=C1N(C2CCCC2)CCC[C@]12CC[N@H+](Cc1cnc[nH]1)C2 ZINC000091412337 401996627 /nfs/dbraw/zinc/99/66/27/401996627.db2.gz OZMWFKOYXICQBK-QGZVFWFLSA-N 1 0 302.422 2.167 50 0 DEAARO C[NH+](C)C[C@@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000089314192 401942151 /nfs/dbraw/zinc/94/21/51/401942151.db2.gz 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O=C(CC1CCCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000096006295 402045726 /nfs/dbraw/zinc/04/57/26/402045726.db2.gz HYMHJAMCIVAMMU-GOSISDBHSA-N 1 0 316.445 2.450 50 0 DEAARO CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000053058721 402050402 /nfs/dbraw/zinc/05/04/02/402050402.db2.gz MOSLZCDVQJEXGF-MRXNPFEDSA-N 1 0 301.390 2.057 50 0 DEAARO COc1ccc([C@@H]2C[N@H+](CCCSC)C[C@H]2NC(C)=O)cc1 ZINC000092028932 402000014 /nfs/dbraw/zinc/00/00/14/402000014.db2.gz GZQWUVCYHISQIH-DLBZAZTESA-N 1 0 322.474 2.352 50 0 DEAARO Cn1cc(/C=C\C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000096305198 402076735 /nfs/dbraw/zinc/07/67/35/402076735.db2.gz FRZDIYPXKQDJQJ-FPLPWBNLSA-N 1 0 324.428 2.214 50 0 DEAARO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)c(NC(=O)C(C)C)c1 ZINC000055253318 402078259 /nfs/dbraw/zinc/07/82/59/402078259.db2.gz BNWRMBXSBUBVBL-LBPRGKRZSA-N 1 0 319.405 2.228 50 0 DEAARO CN(C(=O)CCN1CCCCO1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000055307757 402079657 /nfs/dbraw/zinc/07/96/57/402079657.db2.gz 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Cc1nnc2n1C[C@@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000097199379 402115456 /nfs/dbraw/zinc/11/54/56/402115456.db2.gz YEUCZCZXVDHRIB-NSHDSACASA-N 1 0 315.402 2.408 50 0 DEAARO CC[N@H+](CCCN1CCOCC1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000063881584 402116313 /nfs/dbraw/zinc/11/63/13/402116313.db2.gz XMCUUFJJPPTFEY-RBUKOAKNSA-N 1 0 323.525 2.295 50 0 DEAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203627 402117573 /nfs/dbraw/zinc/11/75/73/402117573.db2.gz MIHVXURIIPTQID-HUUCEWRRSA-N 1 0 318.465 2.389 50 0 DEAARO Cc1nc2c(cnn2C)c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000054059298 402062068 /nfs/dbraw/zinc/06/20/68/402062068.db2.gz REDQKQRSQBKWOX-RYUDHWBXSA-N 1 0 302.426 2.204 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)cc(Br)c1 ZINC000054370744 402067275 /nfs/dbraw/zinc/06/72/75/402067275.db2.gz LLUWSPNAYSSKKV-MRVPVSSYSA-N 1 0 301.159 2.022 50 0 DEAARO Cc1cc(NC[C@@H](C)n2cncn2)nc(N2CCCCC2)[nH+]1 ZINC000065455907 402124603 /nfs/dbraw/zinc/12/46/03/402124603.db2.gz 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402154918 /nfs/dbraw/zinc/15/49/18/402154918.db2.gz WAJWDIZFKLNKFE-UHFFFAOYSA-N 1 0 323.400 2.317 50 0 DEAARO C=Cn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C(C)C)C3)cn1 ZINC000067935446 402178989 /nfs/dbraw/zinc/17/89/89/402178989.db2.gz GKQYBDCUKLQKEY-GOSISDBHSA-N 1 0 316.449 2.454 50 0 DEAARO C(=C/CN1CCOCC12CCC2)\CN1CCOCC12CCC2 ZINC000104321565 402202438 /nfs/dbraw/zinc/20/24/38/402202438.db2.gz YFJVFMAOUIRDGO-OWOJBTEDSA-N 1 0 306.450 2.052 50 0 DEAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(Cl)ccc3oc2=O)C1 ZINC000067654652 402166484 /nfs/dbraw/zinc/16/64/84/402166484.db2.gz DVJDYIJVWHQOCF-JTQLQIEISA-N 1 0 320.776 2.128 50 0 DEAARO CCCC[N@@H+]1CC[C@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000067675410 402167014 /nfs/dbraw/zinc/16/70/14/402167014.db2.gz ZTRVWXZYJBBLDA-CQSZACIVSA-N 1 0 318.465 2.151 50 0 DEAARO CCOc1ccccc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000102696561 402170815 /nfs/dbraw/zinc/17/08/15/402170815.db2.gz FVZXRTCPNANNCF-FICVDOATSA-N 1 0 318.417 2.402 50 0 DEAARO Cc1ccnc(-n2cccc2C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c1 ZINC000067756366 402171617 /nfs/dbraw/zinc/17/16/17/402171617.db2.gz NCXRYNFEASVCHW-WBVHZDCISA-N 1 0 324.428 2.376 50 0 DEAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)nc1 ZINC000067847155 402175000 /nfs/dbraw/zinc/17/50/00/402175000.db2.gz NFCCLGKPFZRNDU-MRXNPFEDSA-N 1 0 301.434 2.478 50 0 DEAARO COC(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000069420940 402223042 /nfs/dbraw/zinc/22/30/42/402223042.db2.gz MPKGEJPNPTYXGG-INIZCTEOSA-N 1 0 316.401 2.174 50 0 DEAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000069446774 402224212 /nfs/dbraw/zinc/22/42/12/402224212.db2.gz PGNGCPRRZCVMIN-CYBMUJFWSA-N 1 0 303.362 2.324 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000069463767 402225540 /nfs/dbraw/zinc/22/55/40/402225540.db2.gz LUXKYSZNDKPHBF-HUUCEWRRSA-N 1 0 314.437 2.321 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069488997 402226695 /nfs/dbraw/zinc/22/66/95/402226695.db2.gz CGJYQCMUTTUWGO-GFCCVEGCSA-N 1 0 322.844 2.197 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000069493049 402227233 /nfs/dbraw/zinc/22/72/33/402227233.db2.gz BUMYSNXAXMBMSY-UHFFFAOYSA-N 1 0 324.432 2.270 50 0 DEAARO CN1CC[N@H+](C[C@@H](O)COc2ccccc2)Cc2ccccc21 ZINC000107350366 402230908 /nfs/dbraw/zinc/23/09/08/402230908.db2.gz FDSMGBLMOLAPQM-QGZVFWFLSA-N 1 0 312.413 2.378 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CC2 ZINC000069621192 402234608 /nfs/dbraw/zinc/23/46/08/402234608.db2.gz PFTIRERILGZSOB-HNNXBMFYSA-N 1 0 322.416 2.131 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000069700124 402239286 /nfs/dbraw/zinc/23/92/86/402239286.db2.gz RGNHGEXLSXSGCO-NEPJUHHUSA-N 1 0 308.344 2.041 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccc(C)c1)CC2 ZINC000069772996 402243257 /nfs/dbraw/zinc/24/32/57/402243257.db2.gz KJYOIIKXSWCENW-INIZCTEOSA-N 1 0 322.416 2.390 50 0 DEAARO Cc1ccc(N2CCC[C@H]([N@H+](C)CCc3ccncc3)C2)nn1 ZINC000069815194 402245616 /nfs/dbraw/zinc/24/56/16/402245616.db2.gz GZLSBJQENMHAJD-KRWDZBQOSA-N 1 0 311.433 2.323 50 0 DEAARO Cc1cccn2cc(CC(=O)NCC[N@H+]3CCC[C@H](C)C3)nc12 ZINC000069814921 402245952 /nfs/dbraw/zinc/24/59/52/402245952.db2.gz FQMSNBSJVRUWHM-AWEZNQCLSA-N 1 0 314.433 2.033 50 0 DEAARO CCc1nnc2n1C[C@H](C[NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000069849109 402247925 /nfs/dbraw/zinc/24/79/25/402247925.db2.gz SKHPDYLZBBLIJI-AWEZNQCLSA-N 1 0 324.428 2.469 50 0 DEAARO COc1ccc([C@@H](C)N2CC[NH+](C[C@@H](C)O)CC2)cc1Cl ZINC000069869769 402248540 /nfs/dbraw/zinc/24/85/40/402248540.db2.gz JRBWJEAKUMVAOM-CHWSQXEVSA-N 1 0 312.841 2.408 50 0 DEAARO CC(C)(C)[C@H](O)C[NH+]1CCN(CCOc2cccc(F)c2)CC1 ZINC000069878381 402248792 /nfs/dbraw/zinc/24/87/92/402248792.db2.gz WWNAYXGTTBVBSN-QGZVFWFLSA-N 1 0 324.440 2.229 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000069951047 402252221 /nfs/dbraw/zinc/25/22/21/402252221.db2.gz KOGONACNTSRXAR-DLBZAZTESA-N 1 0 312.417 2.310 50 0 DEAARO COCC[N@@H+]1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C ZINC000069981674 402254167 /nfs/dbraw/zinc/25/41/67/402254167.db2.gz JOVMZILKGYTAOV-AWEZNQCLSA-N 1 0 312.841 2.371 50 0 DEAARO CC(C)Oc1ncccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108504783 402255421 /nfs/dbraw/zinc/25/54/21/402255421.db2.gz MCPZVHWITQXAMK-CYBMUJFWSA-N 1 0 306.410 2.332 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000070173155 402257806 /nfs/dbraw/zinc/25/78/06/402257806.db2.gz XSJGOVNXORKRRQ-NXEZZACHSA-N 1 0 312.211 2.044 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000070173596 402258227 /nfs/dbraw/zinc/25/82/27/402258227.db2.gz PHWIAOYUBOJFAN-VXGBXAGGSA-N 1 0 316.854 2.396 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000070173731 402258373 /nfs/dbraw/zinc/25/83/73/402258373.db2.gz BLOMDXSUJSPZMO-PWSUYJOCSA-N 1 0 302.465 2.113 50 0 DEAARO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000069084945 402212898 /nfs/dbraw/zinc/21/28/98/402212898.db2.gz TUPDOWVTHRFYHF-MRXNPFEDSA-N 1 0 318.417 2.081 50 0 DEAARO CC1(C)CC(NCc2cnc(N3CCCC3)nc2)CC(C)(C)[NH2+]1 ZINC000071799787 402278804 /nfs/dbraw/zinc/27/88/04/402278804.db2.gz QYOMZHHKRRHZOU-UHFFFAOYSA-N 1 0 317.481 2.476 50 0 DEAARO COc1ccccc1[C@H](O)C[NH2+]Cc1cccc2c1OCO2 ZINC000071819630 402281430 /nfs/dbraw/zinc/28/14/30/402281430.db2.gz QCZOZIVPEIVRTG-CQSZACIVSA-N 1 0 301.342 2.247 50 0 DEAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000071819578 402281666 /nfs/dbraw/zinc/28/16/66/402281666.db2.gz KMEZZNISNPFGHB-UHFFFAOYSA-N 1 0 300.284 2.344 50 0 DEAARO Cc1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc(C)n1 ZINC000215253454 402282444 /nfs/dbraw/zinc/28/24/44/402282444.db2.gz JRYDGNQYZKCBQP-UHFFFAOYSA-N 1 0 319.474 2.352 50 0 DEAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc2c1OCCO2 ZINC000071831311 402285521 /nfs/dbraw/zinc/28/55/21/402285521.db2.gz SVPZCHZSURNKCS-HNNXBMFYSA-N 1 0 315.369 2.290 50 0 DEAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)CCO1 ZINC000071837365 402287115 /nfs/dbraw/zinc/28/71/15/402287115.db2.gz ZQBIQNAILHIKFR-VNQPRFMTSA-N 1 0 318.417 2.095 50 0 DEAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)C[C@@H]3COCCO3)c2)n1 ZINC000216234428 402287968 /nfs/dbraw/zinc/28/79/68/402287968.db2.gz NJQAKLJTZQRDHZ-GOSISDBHSA-N 1 0 315.417 2.336 50 0 DEAARO NC(=O)C1CC[NH+](CCCNCc2ccc(Cl)s2)CC1 ZINC000071852300 402288375 /nfs/dbraw/zinc/28/83/75/402288375.db2.gz VWDOGZJJCRRLBH-UHFFFAOYSA-N 1 0 315.870 2.079 50 0 DEAARO O=C(NCC1([NH+]2CCCC2)CCCCC1)c1c[nH]c(=O)cc1O ZINC000220225137 402300817 /nfs/dbraw/zinc/30/08/17/402300817.db2.gz FWTKFLCFAQWKOS-UHFFFAOYSA-N 1 0 319.405 2.021 50 0 DEAARO Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)nc1 ZINC000222201729 402306306 /nfs/dbraw/zinc/30/63/06/402306306.db2.gz YAVDDWUDVQZRIE-MAUKXSAKSA-N 1 0 324.428 2.350 50 0 DEAARO C[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000225408711 402316596 /nfs/dbraw/zinc/31/65/96/402316596.db2.gz UQRXVNZTYCMIHT-VXGBXAGGSA-N 1 0 308.426 2.326 50 0 DEAARO CC(C)([NH3+])CNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000225469621 402318413 /nfs/dbraw/zinc/31/84/13/402318413.db2.gz IBFRVELVVMICGV-UHFFFAOYSA-N 1 0 314.838 2.109 50 0 DEAARO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)CCC2 ZINC000225523223 402320616 /nfs/dbraw/zinc/32/06/16/402320616.db2.gz BGXWKFDWUVKVAB-KRWDZBQOSA-N 1 0 319.449 2.390 50 0 DEAARO Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)on1 ZINC000229193280 402341329 /nfs/dbraw/zinc/34/13/29/402341329.db2.gz WYOFOCMXEVQCFM-KKUMJFAQSA-N 1 0 318.421 2.456 50 0 DEAARO CN1CCCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000230134011 402348195 /nfs/dbraw/zinc/34/81/95/402348195.db2.gz GCMBYKVKSKHGDD-LSDHHAIUSA-N 1 0 321.490 2.486 50 0 DEAARO COc1cccc2c1OCCC[N@H+](C[C@H](C)n1cncn1)C2 ZINC000240936863 402442814 /nfs/dbraw/zinc/44/28/14/402442814.db2.gz SFBZYGDNANKXHF-ZDUSSCGKSA-N 1 0 302.378 2.132 50 0 DEAARO C[N@@H+]1CCN(Cc2cn3cccnc3n2)[C@@H](c2ccccc2)C1 ZINC000245651451 402476644 /nfs/dbraw/zinc/47/66/44/402476644.db2.gz HPCKLLIYYFNJQJ-QGZVFWFLSA-N 1 0 307.401 2.218 50 0 DEAARO C[C@H]([NH2+][C@@]1(CO)CCOC1)c1cc(Br)ccc1F ZINC000170077950 402502831 /nfs/dbraw/zinc/50/28/31/402502831.db2.gz RIDYRTVIKXEJPZ-TVQRCGJNSA-N 1 0 318.186 2.390 50 0 DEAARO C[NH+](C)[C@@H](CN1C(=O)[C@H]2CCCCN2C1=O)c1cccs1 ZINC000170592403 402505853 /nfs/dbraw/zinc/50/58/53/402505853.db2.gz RBCAEDUTMPWZPL-NEPJUHHUSA-N 1 0 307.419 2.168 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000178522824 402507565 /nfs/dbraw/zinc/50/75/65/402507565.db2.gz RLGNXXOEQIFMLQ-SNVBAGLBSA-N 1 0 304.781 2.151 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000178966331 402560093 /nfs/dbraw/zinc/56/00/93/402560093.db2.gz KFCCYDCPIFKMDC-LBPRGKRZSA-N 1 0 312.360 2.192 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179002325 402563691 /nfs/dbraw/zinc/56/36/91/402563691.db2.gz ZCHITOQRPCKKGX-NSHDSACASA-N 1 0 318.808 2.412 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000179004274 402564081 /nfs/dbraw/zinc/56/40/81/402564081.db2.gz GZVBFNQAPGBLLW-NSHDSACASA-N 1 0 311.223 2.060 50 0 DEAARO COc1ccc(OC)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000171239417 402570101 /nfs/dbraw/zinc/57/01/01/402570101.db2.gz YAIYRSVYBYWNHI-UHFFFAOYSA-N 1 0 307.390 2.289 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000171824486 402625859 /nfs/dbraw/zinc/62/58/59/402625859.db2.gz XPBUKKPKSGVGPZ-UHFFFAOYSA-N 1 0 302.418 2.179 50 0 DEAARO Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000252506050 402657216 /nfs/dbraw/zinc/65/72/16/402657216.db2.gz OOBGSUUFOYGRKF-WBVHZDCISA-N 1 0 301.434 2.492 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)CC)C[C@H]2C)n1 ZINC000252675532 402660423 /nfs/dbraw/zinc/66/04/23/402660423.db2.gz UHEVMBATJAAUEU-AGIUHOORSA-N 1 0 308.426 2.320 50 0 DEAARO C[C@@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000253419959 402665349 /nfs/dbraw/zinc/66/53/49/402665349.db2.gz AUCMNQMYXWGBSZ-BMFZPTHFSA-N 1 0 313.401 2.076 50 0 DEAARO COC[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1nc(C2CC2)no1 ZINC000257176888 402700502 /nfs/dbraw/zinc/70/05/02/402700502.db2.gz AULGYRBRZBCZGZ-DZGCQCFKSA-N 1 0 314.389 2.204 50 0 DEAARO CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)N(C(=O)C(C)C)C2)CC1 ZINC000257191717 402702048 /nfs/dbraw/zinc/70/20/48/402702048.db2.gz RCOBIIDTXCKGGJ-AWEZNQCLSA-N 1 0 320.437 2.410 50 0 DEAARO c1ccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000195520688 402850555 /nfs/dbraw/zinc/85/05/55/402850555.db2.gz YVALBRYZWMJTPI-HNNXBMFYSA-N 1 0 312.417 2.483 50 0 DEAARO CC(C)(C)[C@H]1CN(c2cc(N3CCSCC3)ncn2)CCO1 ZINC000279309734 402929403 /nfs/dbraw/zinc/92/94/03/402929403.db2.gz BPCNUVLEGRABBG-CYBMUJFWSA-N 1 0 322.478 2.281 50 0 DEAARO O[C@@H](C[C@@H]1COCCN1CCc1ccncc1)c1ccccc1 ZINC000268673965 403104959 /nfs/dbraw/zinc/10/49/59/403104959.db2.gz KWDDBFVWECZRQC-MOPGFXCFSA-N 1 0 312.413 2.449 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000269266265 403125946 /nfs/dbraw/zinc/12/59/46/403125946.db2.gz UKYBDUHMICNEEU-HUUCEWRRSA-N 1 0 322.836 2.252 50 0 DEAARO O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000270509962 403197027 /nfs/dbraw/zinc/19/70/27/403197027.db2.gz CSEQRCRNCPNYKA-RCCFBDPRSA-N 1 0 314.429 2.094 50 0 DEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000299787694 403575607 /nfs/dbraw/zinc/57/56/07/403575607.db2.gz ZQDCAMCZWWNRJH-PWSUYJOCSA-N 1 0 318.808 2.317 50 0 DEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2C)C1 ZINC000299793003 403576704 /nfs/dbraw/zinc/57/67/04/403576704.db2.gz IGPSKXXNAIPKHA-CQSZACIVSA-N 1 0 308.397 2.222 50 0 DEAARO Cc1ncn(C)c1C(=O)NCC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000299798773 403578648 /nfs/dbraw/zinc/57/86/48/403578648.db2.gz RIKCDKFTTKPEQK-HNNXBMFYSA-N 1 0 306.454 2.359 50 0 DEAARO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000373711176 404568112 /nfs/dbraw/zinc/56/81/12/404568112.db2.gz JRGXNHJCHVFHEF-CYBMUJFWSA-N 1 0 300.406 2.044 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H](O)C(C)C)CC2)cc1 ZINC000367250713 404981050 /nfs/dbraw/zinc/98/10/50/404981050.db2.gz LOKXUELWXVUTRJ-GOSISDBHSA-N 1 0 318.461 2.340 50 0 DEAARO OCCn1ccc([C@H]2CCC[N@H+](CCCc3ccco3)C2)n1 ZINC000426442050 405360256 /nfs/dbraw/zinc/36/02/56/405360256.db2.gz VPALXDDBLIDHQW-HNNXBMFYSA-N 1 0 303.406 2.281 50 0 DEAARO CCc1cc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)on1 ZINC000426477338 405362302 /nfs/dbraw/zinc/36/23/02/405362302.db2.gz FUVMIQSFRATRRZ-JTQLQIEISA-N 1 0 307.423 2.125 50 0 DEAARO CCc1c(C)nn(CCNC(=O)C[N@H+](C)C2CCCC2)c1C ZINC000426487315 405363211 /nfs/dbraw/zinc/36/32/11/405363211.db2.gz ILIGZRVFCXAKTM-UHFFFAOYSA-N 1 0 306.454 2.053 50 0 DEAARO Cc1cccnc1C[C@H](C)N(C)C(=O)NCC[NH+]1CCCCC1 ZINC000426493354 405363924 /nfs/dbraw/zinc/36/39/24/405363924.db2.gz ZNNYLWHLZLUXGK-INIZCTEOSA-N 1 0 318.465 2.448 50 0 DEAARO CO[C@]12CC[N@H+](Cc3nonc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426523439 405367111 /nfs/dbraw/zinc/36/71/11/405367111.db2.gz JVAFFSABQGYHPG-HYVNUMGLSA-N 1 0 321.421 2.317 50 0 DEAARO CCn1ccnc1CN(C)C(=O)c1nc2cc(C)ccn2c1F ZINC000426574793 405369860 /nfs/dbraw/zinc/36/98/60/405369860.db2.gz SDOZJHIRUYQXKD-UHFFFAOYSA-N 1 0 315.352 2.270 50 0 DEAARO COc1ccnc(CSc2nnc(C[NH3+])n2CC(C)C)c1 ZINC000426739052 405377078 /nfs/dbraw/zinc/37/70/78/405377078.db2.gz MVTDMPYNCLWYPU-UHFFFAOYSA-N 1 0 307.423 2.089 50 0 DEAARO C[NH+](C)C1(CNS(=O)(=O)c2csc3ccccc32)CC1 ZINC000583651837 405781479 /nfs/dbraw/zinc/78/14/79/405781479.db2.gz UFCKHHPLCGJEQI-UHFFFAOYSA-N 1 0 310.444 2.274 50 0 DEAARO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000585120906 405871847 /nfs/dbraw/zinc/87/18/47/405871847.db2.gz VPUVQMCYYDWQLO-AWEZNQCLSA-N 1 0 312.417 2.455 50 0 DEAARO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000585117526 405869621 /nfs/dbraw/zinc/86/96/21/405869621.db2.gz JMCLPXUWLYGIKI-XIRDDKMYSA-N 1 0 324.490 2.235 50 0 DEAARO Cc1cc(CCC(=O)N2CC[C@@H]([NH3+])C2)ccc1Br ZINC000132389552 196252216 /nfs/dbraw/zinc/25/22/16/196252216.db2.gz WQGXWUGWJNHOFS-GFCCVEGCSA-N 1 0 311.223 2.250 50 0 DEAARO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCN1C(=O)CCC1=O ZINC000132503075 196260850 /nfs/dbraw/zinc/26/08/50/196260850.db2.gz SZEZYKBXCUCFAK-LBPRGKRZSA-N 1 0 308.809 2.352 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)C1 ZINC000132684483 196276152 /nfs/dbraw/zinc/27/61/52/196276152.db2.gz PUAMCGIMLCLYRN-NSHDSACASA-N 1 0 324.306 2.064 50 0 DEAARO CCn1cnc2c1ncnc2NCC1CCN(CC(F)F)CC1 ZINC000408518635 227238178 /nfs/dbraw/zinc/23/81/78/227238178.db2.gz QWAYISSICFAWDE-UHFFFAOYSA-N 1 0 324.379 2.235 50 0 DEAARO Cc1cc(NC(=O)[C@H]2CCCCC(=O)N2)ccc1C[NH+](C)C ZINC000408520064 227239457 /nfs/dbraw/zinc/23/94/57/227239457.db2.gz WRGJAYYZEPQXOJ-OAHLLOKOSA-N 1 0 303.406 2.054 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000299738828 229371398 /nfs/dbraw/zinc/37/13/98/229371398.db2.gz HADQTNJAMIIKJF-IEHFGQBSSA-N 1 0 302.418 2.491 50 0 DEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000299797693 229458714 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c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]Cc1cccnc1 ZINC000048680920 424835069 /nfs/dbraw/zinc/83/50/69/424835069.db2.gz SZFIOZWJXKFDMB-UHFFFAOYSA-N 1 0 308.341 2.490 50 0 DEAARO C[C@H](C(=O)Nc1ccccc1C(N)=O)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103327201 424848326 /nfs/dbraw/zinc/84/83/26/424848326.db2.gz AAAHTGPODDTJHQ-JHJVBQTASA-N 1 0 303.406 2.090 50 0 DEAARO Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CN(C3CC3)CCO2)s1 ZINC000115164561 424852604 /nfs/dbraw/zinc/85/26/04/424852604.db2.gz ZCDLJILGRRAACM-RBSFLKMASA-N 1 0 320.458 2.139 50 0 DEAARO O[C@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000121297160 424853584 /nfs/dbraw/zinc/85/35/84/424853584.db2.gz ABDYLHGOQAHTOG-ZIAGYGMSSA-N 1 0 321.314 2.494 50 0 DEAARO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655776002 425651431 /nfs/dbraw/zinc/65/14/31/425651431.db2.gz GGSMMTFTYLSZBG-HOCLYGCPSA-N 1 0 301.390 2.092 50 0 DEAARO CC(=O)NC1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095521357 275478465 /nfs/dbraw/zinc/47/84/65/275478465.db2.gz 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2.458 50 0 DEAARO C[C@@H]1SCC[N@H+](C[C@@H](O)Cn2cccn2)[C@H]1c1ccccc1 ZINC000246265570 279072597 /nfs/dbraw/zinc/07/25/97/279072597.db2.gz ANKWNLOVISWQIF-USXIJHARSA-N 1 0 317.458 2.423 50 0 DEAARO C[C@H](CCc1ccccc1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020791 279273798 /nfs/dbraw/zinc/27/37/98/279273798.db2.gz VXJIKDCXSBZBCN-WBVHZDCISA-N 1 0 300.406 2.000 50 0 DEAARO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[NH3+] ZINC000158732582 280266113 /nfs/dbraw/zinc/26/61/13/280266113.db2.gz DGGPYPZWHZSLJL-UHFFFAOYSA-N 1 0 303.309 2.312 50 0 DEAARO CC[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000069453825 280356557 /nfs/dbraw/zinc/35/65/57/280356557.db2.gz KVMNWASGXDAIFZ-ZIAGYGMSSA-N 1 0 311.451 2.171 50 0 DEAARO Cc1cc(F)ccc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000084093849 280533949 /nfs/dbraw/zinc/53/39/49/280533949.db2.gz RLDAHNZJDOMWIQ-UHFFFAOYSA-N 1 0 321.377 2.174 50 0 DEAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(S(C)(=O)=O)CCOCC1 ZINC000097164265 281674353 /nfs/dbraw/zinc/67/43/53/281674353.db2.gz INTXZVSYNPFNOA-HUUCEWRRSA-N 1 0 315.479 2.162 50 0 DEAARO COc1ccc(CC[C@H]2CCCCN2C(=O)CC[NH3+])cc1OC ZINC000237257631 295122073 /nfs/dbraw/zinc/12/20/73/295122073.db2.gz GLGRFUYVWPUMGC-OAHLLOKOSA-N 1 0 320.433 2.366 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000132253231 303488655 /nfs/dbraw/zinc/48/86/55/303488655.db2.gz JPACYDICILFCNC-MVWJERBFSA-N 1 0 314.307 2.248 50 0 DEAARO C[NH+](C)[C@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 ZINC000040156739 331681040 /nfs/dbraw/zinc/68/10/40/331681040.db2.gz WLBAWJGXQRIBIC-QGZVFWFLSA-N 1 0 320.458 2.233 50 0 DEAARO CC[N@H+](C)C1(CNC(=O)c2cc(Cl)c[nH]c2=O)CCCC1 ZINC000534574453 334287489 /nfs/dbraw/zinc/28/74/89/334287489.db2.gz HJNNFILFTWUWOF-UHFFFAOYSA-N 1 0 311.813 2.435 50 0 DEAARO [NH3+]CC[C@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)CCO1 ZINC000534578712 334288659 /nfs/dbraw/zinc/28/86/59/334288659.db2.gz YOXOETXATHNONE-NSHDSACASA-N 1 0 306.303 2.394 50 0 DEAARO Cc1ncnc(C)c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000534583078 334289884 /nfs/dbraw/zinc/28/98/84/334289884.db2.gz CKEZPMXXIHOESB-UHFFFAOYSA-N 1 0 304.438 2.478 50 0 DEAARO C[C@H](CCC(=O)NCc1cccc(CO)c1)[NH+]1CCCCC1 ZINC000534587887 334292864 /nfs/dbraw/zinc/29/28/64/334292864.db2.gz IEMDTVXFYAOZDC-OAHLLOKOSA-N 1 0 304.434 2.450 50 0 DEAARO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)nn1C ZINC000534652000 334312224 /nfs/dbraw/zinc/31/22/24/334312224.db2.gz DKPNKATZKLITSQ-AWEZNQCLSA-N 1 0 304.438 2.113 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000534656583 334314136 /nfs/dbraw/zinc/31/41/36/334314136.db2.gz CHLFDXYXAJUGIF-UHFFFAOYSA-N 1 0 315.421 2.121 50 0 DEAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(F)c1 ZINC000097230792 337382494 /nfs/dbraw/zinc/38/24/94/337382494.db2.gz LEQUADHUIOQRMY-MRXNPFEDSA-N 1 0 308.397 2.361 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2F)C[C@@H]1CC ZINC000133354016 337383261 /nfs/dbraw/zinc/38/32/61/337383261.db2.gz VAVVVRSWFQGDAZ-ZDUSSCGKSA-N 1 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C[C@H](C[NH2+]Cc1cc(F)ccc1Br)[S@@](C)=O ZINC000090193584 185286849 /nfs/dbraw/zinc/28/68/49/185286849.db2.gz BNVZUGVWPVTKAP-BCTVWOGZSA-N 1 0 308.216 2.445 50 0 DEAARO O=C(c1cnccn1)N1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095434030 185364013 /nfs/dbraw/zinc/36/40/13/185364013.db2.gz KRVMSMJEUHMPNQ-AWEZNQCLSA-N 1 0 300.406 2.027 50 0 DEAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000097016651 185397670 /nfs/dbraw/zinc/39/76/70/185397670.db2.gz OCXZYFWONYZNCG-MCIONIFRSA-N 1 0 302.484 2.215 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000097019588 185398029 /nfs/dbraw/zinc/39/80/29/185398029.db2.gz LVYBXJPKNUDKQN-GFCCVEGCSA-N 1 0 305.378 2.046 50 0 DEAARO [NH3+][C@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000095466793 185372143 /nfs/dbraw/zinc/37/21/43/185372143.db2.gz IVXCZCZTIFLMJS-SJORKVTESA-N 1 0 314.385 2.487 50 0 DEAARO CCc1cnc(CN(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000083231663 192365879 /nfs/dbraw/zinc/36/58/79/192365879.db2.gz 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192390243 /nfs/dbraw/zinc/39/02/43/192390243.db2.gz JLRQCNHGNAQXHW-GDBMZVCRSA-N 1 0 324.428 2.328 50 0 DEAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000071760099 191025585 /nfs/dbraw/zinc/02/55/85/191025585.db2.gz OQQMTBAXWVCBGV-MRXNPFEDSA-N 1 0 318.396 2.343 50 0 DEAARO Cc1cccc(C)c1OCCCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000071903153 191032446 /nfs/dbraw/zinc/03/24/46/191032446.db2.gz DXZDIQIZROOARE-HNNXBMFYSA-N 1 0 311.447 2.191 50 0 DEAARO OCCCN(CCO)Cc1cc(Br)ccc1Cl ZINC000071903165 191032637 /nfs/dbraw/zinc/03/26/37/191032637.db2.gz GWNBHWPCLJUFBD-UHFFFAOYSA-N 1 0 322.630 2.279 50 0 DEAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1C ZINC000071763911 191027555 /nfs/dbraw/zinc/02/75/55/191027555.db2.gz RXLCRTREDRRERQ-HNNXBMFYSA-N 1 0 304.438 2.107 50 0 DEAARO Nc1ccnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072138978 191048345 /nfs/dbraw/zinc/04/83/45/191048345.db2.gz HHKAGHGWNKICDV-CGTJXYLNSA-N 1 0 321.428 2.125 50 0 DEAARO Cc1nn(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000072146324 191053153 /nfs/dbraw/zinc/05/31/53/191053153.db2.gz SIEHDPWVCZTPNK-KRWDZBQOSA-N 1 0 318.465 2.285 50 0 DEAARO CCc1cc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCOCC2)cs1 ZINC000072153590 191058275 /nfs/dbraw/zinc/05/82/75/191058275.db2.gz YLPDYJSCLPIWOE-CABCVRRESA-N 1 0 308.447 2.340 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000150746748 186062782 /nfs/dbraw/zinc/06/27/82/186062782.db2.gz CNJZKKDOLYDWOW-TZMCWYRMSA-N 1 0 306.406 2.098 50 0 DEAARO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072281276 191101105 /nfs/dbraw/zinc/10/11/05/191101105.db2.gz OGQUVRYVOBYWMA-GJZGRUSLSA-N 1 0 308.809 2.011 50 0 DEAARO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678086 186288922 /nfs/dbraw/zinc/28/89/22/186288922.db2.gz AZDXNZCBCOEAGK-GOSISDBHSA-N 1 0 320.477 2.370 50 0 DEAARO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000072328590 191122940 /nfs/dbraw/zinc/12/29/40/191122940.db2.gz 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353994531 /nfs/dbraw/zinc/99/45/31/353994531.db2.gz XRTJXPJQATUXQS-DOMZBBRYSA-N 1 0 302.374 2.202 50 0 DEAARO C[C@H](Cc1ccccc1)[n+]1[n-]oc(=[NH2+])c1CN1CCCCC1 ZINC000008243866 354011086 /nfs/dbraw/zinc/01/10/86/354011086.db2.gz QFRFFKDWALYFOR-CQSZACIVSA-N 1 0 301.414 2.164 50 0 DEAARO CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1 ZINC000003943521 181058087 /nfs/dbraw/zinc/05/80/87/181058087.db2.gz OZPFIJIOIVJZMN-SFHVURJKSA-N 1 0 307.353 2.036 50 0 investigational DEAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000004648925 181131682 /nfs/dbraw/zinc/13/16/82/181131682.db2.gz AQUUNVCFQSQRCZ-OAHLLOKOSA-N 1 0 302.374 2.249 50 0 DEAARO COc1cc(C[NH+]2CCC(C(=O)NC(C)C)CC2)ccc1O ZINC000004699599 181139313 /nfs/dbraw/zinc/13/93/13/181139313.db2.gz NZAVQQARFSVTKR-UHFFFAOYSA-N 1 0 306.406 2.137 50 0 DEAARO CC(=O)N1CCc2cc(NC(=O)C[NH+]3CCC(C)CC3)ccc21 ZINC000004748057 181147577 /nfs/dbraw/zinc/14/75/77/181147577.db2.gz SZLNRNDIZJCVPE-UHFFFAOYSA-N 1 0 315.417 2.266 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000066137512 354701574 /nfs/dbraw/zinc/70/15/74/354701574.db2.gz BFBSVWFVMYAMTJ-GFCCVEGCSA-N 1 0 302.374 2.253 50 0 DEAARO C[NH+](C)CCNC(=O)Cc1cccn1-c1cccc(Cl)c1 ZINC000065170939 354679954 /nfs/dbraw/zinc/67/99/54/354679954.db2.gz FKZBABUEIWRVQA-UHFFFAOYSA-N 1 0 305.809 2.351 50 0 DEAARO O=C(Cc1cccn1-c1ccc(F)cc1)NCC[NH+]1CCCC1 ZINC000065170840 354680210 /nfs/dbraw/zinc/68/02/10/354680210.db2.gz UXKFRPIWTCKCIT-UHFFFAOYSA-N 1 0 315.392 2.371 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)N(C)CCCOC)CC(C)C ZINC000066984426 354742557 /nfs/dbraw/zinc/74/25/57/354742557.db2.gz XKFCQNVNDDLZEX-HNNXBMFYSA-N 1 0 301.475 2.421 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](c2nccs2)C2CC2)C1 ZINC000074709570 355044720 /nfs/dbraw/zinc/04/47/20/355044720.db2.gz WKRYOTDYUZXRSC-CHWSQXEVSA-N 1 0 308.451 2.330 50 0 DEAARO COC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000076094027 355125418 /nfs/dbraw/zinc/12/54/18/355125418.db2.gz DUXIANNVZZEZLR-UKRRQHHQSA-N 1 0 321.421 2.283 50 0 DEAARO CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 ZINC000076041655 355120415 /nfs/dbraw/zinc/12/04/15/355120415.db2.gz ABNXGBJVRDUKIX-SJORKVTESA-N 1 0 301.434 2.423 50 0 DEAARO CC(=O)NCC1CC[NH+](C[C@H](O)c2cc(C)ccc2C)CC1 ZINC000076082318 355124621 /nfs/dbraw/zinc/12/46/21/355124621.db2.gz QHGMFAJYPZPJBQ-SFHVURJKSA-N 1 0 304.434 2.185 50 0 DEAARO CN1CC[NH+](C[C@H]2CCCN(c3ccc(Cl)cn3)C2)CC1 ZINC000078658987 355273446 /nfs/dbraw/zinc/27/34/46/355273446.db2.gz SNUQIQFSQDLDPC-CQSZACIVSA-N 1 0 308.857 2.199 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000004990189 181186139 /nfs/dbraw/zinc/18/61/39/181186139.db2.gz ZNHXBYXEYYPDMR-HNNXBMFYSA-N 1 0 304.390 2.420 50 0 DEAARO CCOc1ccc(Cl)c(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000078896502 355284431 /nfs/dbraw/zinc/28/44/31/355284431.db2.gz QIMYWNATLFJALR-CMPLNLGQSA-N 1 0 311.813 2.156 50 0 DEAARO CCOC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c[nH]1 ZINC000078954425 355287151 /nfs/dbraw/zinc/28/71/51/355287151.db2.gz HMFMZLHAWKYBMP-GFCCVEGCSA-N 1 0 322.409 2.187 50 0 DEAARO CCc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)on1 ZINC000078953047 355287646 /nfs/dbraw/zinc/28/76/46/355287646.db2.gz UZUVIHKNPWBTRB-CABCVRRESA-N 1 0 320.437 2.394 50 0 DEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCn1cccc1 ZINC000084456124 355480783 /nfs/dbraw/zinc/48/07/83/355480783.db2.gz OBOCTVWBRBDTJX-UHFFFAOYSA-N 1 0 314.433 2.262 50 0 DEAARO C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C1CCC1 ZINC000097096546 355701004 /nfs/dbraw/zinc/70/10/04/355701004.db2.gz RXRBCASRWZBRBW-AWEZNQCLSA-N 1 0 302.422 2.097 50 0 DEAARO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000097094644 355701421 /nfs/dbraw/zinc/70/14/21/355701421.db2.gz MLOHIPVVIBJHDW-KRWDZBQOSA-N 1 0 323.458 2.271 50 0 DEAARO CC[C@H]([NH2+]C1CC(c2cccc(C)c2)C1)C(=O)N1CCOCC1 ZINC000097373011 355704473 /nfs/dbraw/zinc/70/44/73/355704473.db2.gz YYNFYZYXHXLXPY-ABHNRTSZSA-N 1 0 316.445 2.468 50 0 DEAARO Cc1nscc1C(=O)N(CC[NH+](C)C)Cc1ccncc1 ZINC000097237465 355704537 /nfs/dbraw/zinc/70/45/37/355704537.db2.gz SMGZUACNVMQDBD-UHFFFAOYSA-N 1 0 304.419 2.051 50 0 DEAARO O=C(CC1CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000276962611 213205786 /nfs/dbraw/zinc/20/57/86/213205786.db2.gz DOCCVORMRQDMMB-KRWDZBQOSA-N 1 0 302.418 2.194 50 0 DEAARO CCc1nncn1CC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000110677593 355744225 /nfs/dbraw/zinc/74/42/25/355744225.db2.gz BYUQWMRPEKPOQE-WBVHZDCISA-N 1 0 313.449 2.266 50 0 DEAARO CC1(C)[C@H]([NH2+]C2CCN(CC(N)=O)CC2)C[C@@H]1c1ccccc1 ZINC000122845755 355802265 /nfs/dbraw/zinc/80/22/65/355802265.db2.gz IPPBVTVCHMPNMT-IAGOWNOFSA-N 1 0 315.461 2.108 50 0 DEAARO CC[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679516 355979523 /nfs/dbraw/zinc/97/95/23/355979523.db2.gz LEMWFNLOUKHEDI-SJORKVTESA-N 1 0 320.433 2.287 50 0 DEAARO COC[C@H](C)N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000170594624 355986749 /nfs/dbraw/zinc/98/67/49/355986749.db2.gz QUCMIEPOUMPKAA-KRWDZBQOSA-N 1 0 306.450 2.246 50 0 DEAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3ccccn3)C2)o1 ZINC000078891819 191939693 /nfs/dbraw/zinc/93/96/93/191939693.db2.gz WBPJVEPFTFBDQF-MRXNPFEDSA-N 1 0 314.433 2.381 50 0 DEAARO C/C=C1\C[C@H](C)[C@H](C)C(=O)OC[C@H]2CC[N@@H+]3CC[C@@H](OC1=O)[C@@H]23 ZINC000005480243 181248688 /nfs/dbraw/zinc/24/86/88/181248688.db2.gz NSESUDTWEGLOPE-VLLWJIBDSA-N 1 0 321.417 2.158 50 0 biogenic DEAARO CNS(=O)(=O)CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000195549974 356256348 /nfs/dbraw/zinc/25/63/48/356256348.db2.gz VROUKKQLFFMKES-UHFFFAOYSA-N 1 0 304.843 2.104 50 0 DEAARO OCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558091 356257211 /nfs/dbraw/zinc/25/72/11/356257211.db2.gz MHZJONOHFJFFQG-AWEZNQCLSA-N 1 0 314.223 2.499 50 0 DEAARO COc1ccc(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1F ZINC000195572815 356258984 /nfs/dbraw/zinc/25/89/84/356258984.db2.gz BDSJFKYCKDIHPH-OAHLLOKOSA-N 1 0 308.397 2.320 50 0 DEAARO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000225487135 356276326 /nfs/dbraw/zinc/27/63/26/356276326.db2.gz XWZNOPXFFIFMKR-XHSDSOJGSA-N 1 0 309.454 2.070 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000253370440 356336380 /nfs/dbraw/zinc/33/63/80/356336380.db2.gz QYHWILUPDAMZAA-OLZOCXBDSA-N 1 0 317.437 2.475 50 0 DEAARO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000397955533 356719565 /nfs/dbraw/zinc/71/95/65/356719565.db2.gz DZGCBCUWZASMPD-YUMQZZPRSA-N 1 0 303.225 2.366 50 0 DEAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H]1CCO ZINC000585094451 540256662 /nfs/dbraw/zinc/25/66/62/540256662.db2.gz HFNPBAWLVXABQS-BLLLJJGKSA-N 1 0 323.412 2.219 50 0 DEAARO Cc1cc(C(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)nc(C)n1 ZINC000584888704 357326259 /nfs/dbraw/zinc/32/62/59/357326259.db2.gz AFSWUUNUXYUPPJ-UHFFFAOYSA-N 1 0 310.401 2.311 50 0 DEAARO OCc1ccc2c(c1)C[N@H+](C1CSCCSC1)CCO2 ZINC000584892910 357328266 /nfs/dbraw/zinc/32/82/66/357328266.db2.gz QUIZLYWUHTYQHY-UHFFFAOYSA-N 1 0 311.472 2.222 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2nc3cc(C)ccc3[nH]2)C1 ZINC000584896121 357328844 /nfs/dbraw/zinc/32/88/44/357328844.db2.gz NRQSGUUXZIBJJT-LBPRGKRZSA-N 1 0 302.378 2.192 50 0 DEAARO CC[C@@H](C)N(CCO)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000585137272 357336790 /nfs/dbraw/zinc/33/67/90/357336790.db2.gz QAXODWBXCOHPKY-NVXWUHKLSA-N 1 0 319.449 2.063 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000585137164 357337278 /nfs/dbraw/zinc/33/72/78/357337278.db2.gz KVXRWYZTKPYVKN-HNNXBMFYSA-N 1 0 311.813 2.260 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000237335671 202237502 /nfs/dbraw/zinc/23/75/02/202237502.db2.gz CSUFOAKJLLBLIE-CZUORRHYSA-N 1 0 304.459 2.475 50 0 DEAARO Cc1ccc(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)n1 ZINC000237758756 202348405 /nfs/dbraw/zinc/34/84/05/202348405.db2.gz WPLLPWVFKOOHSJ-UHFFFAOYSA-N 1 0 311.385 2.165 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCCC[C@H]3C[NH3+])nc21 ZINC000237734634 202342587 /nfs/dbraw/zinc/34/25/87/202342587.db2.gz KQDQEHZYQZWNTF-ZDUSSCGKSA-N 1 0 300.406 2.144 50 0 DEAARO [NH3+]C1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000237854029 202370589 /nfs/dbraw/zinc/37/05/89/202370589.db2.gz KPRZWYQUNLJGTL-UHFFFAOYSA-N 1 0 319.405 2.436 50 0 DEAARO Cn1cncc1CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237933851 202396826 /nfs/dbraw/zinc/39/68/26/202396826.db2.gz KLGHNNXRWZITRU-CQSZACIVSA-N 1 0 304.463 2.483 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000237918582 202390157 /nfs/dbraw/zinc/39/01/57/202390157.db2.gz GYCJBECZHNPYHZ-FRRDWIJNSA-N 1 0 309.207 2.112 50 0 DEAARO NC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCOCC1 ZINC000189187459 200361477 /nfs/dbraw/zinc/36/14/77/200361477.db2.gz NJRCAOTYRFBTSY-AWEZNQCLSA-N 1 0 314.788 2.239 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(F)ccc1Br ZINC000122646099 283563838 /nfs/dbraw/zinc/56/38/38/283563838.db2.gz ZAOKHBFYSHPWRI-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO Cc1nonc1CN1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000670456182 540936327 /nfs/dbraw/zinc/93/63/27/540936327.db2.gz UUQODEYMANFTFU-SJORKVTESA-N 1 0 312.417 2.474 50 0 DEAARO Cc1cccc(CC[NH+]2CCC3(CC2)CCNC(=O)CC3)n1 ZINC000670461230 540936890 /nfs/dbraw/zinc/93/68/90/540936890.db2.gz JUHUFQUWQCDZKC-UHFFFAOYSA-N 1 0 301.434 2.315 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000670461298 540936987 /nfs/dbraw/zinc/93/69/87/540936987.db2.gz UEFFKXVIRJMTRT-SECBINFHSA-N 1 0 302.205 2.484 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(O)c1 ZINC000193723401 201111442 /nfs/dbraw/zinc/11/14/42/201111442.db2.gz PKTIPGPPXXDIBK-UONOGXRCSA-N 1 0 305.422 2.312 50 0 DEAARO O=S(=O)(NCCCn1ccnc1)c1ccc2ccccc2c1 ZINC000006489911 181344888 /nfs/dbraw/zinc/34/48/88/181344888.db2.gz DGJAJRKTTNYWDG-UHFFFAOYSA-N 1 0 315.398 2.405 50 0 DEAARO CCOC1CC(C[NH2+]Cc2sccc2C)(N2CCOCC2)C1 ZINC000195460869 201392905 /nfs/dbraw/zinc/39/29/05/201392905.db2.gz RKLICSBMFQEUJC-UHFFFAOYSA-N 1 0 324.490 2.416 50 0 DEAARO C[C@H]([NH2+]CCOc1ccccc1F)C(=O)NCc1ccccc1 ZINC000006587204 181357729 /nfs/dbraw/zinc/35/77/29/181357729.db2.gz ISIXNWJBNPOVEZ-AWEZNQCLSA-N 1 0 316.376 2.499 50 0 DEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)on1 ZINC000091391432 193051058 /nfs/dbraw/zinc/05/10/58/193051058.db2.gz ARHAFJAXXMOYCR-UHFFFAOYSA-N 1 0 303.406 2.350 50 0 DEAARO Cc1cnc(N)nc1N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000091657057 193085793 /nfs/dbraw/zinc/08/57/93/193085793.db2.gz HTZIMXUIQBTFBZ-UHFFFAOYSA-N 1 0 311.433 2.468 50 0 DEAARO CC[C@@]1(CO)CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000091635382 193082981 /nfs/dbraw/zinc/08/29/81/193082981.db2.gz BVLGDVNKYOQPAN-QGZVFWFLSA-N 1 0 307.390 2.408 50 0 DEAARO CCC[C@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1[NH3+] ZINC000091892884 193122539 /nfs/dbraw/zinc/12/25/39/193122539.db2.gz CQSZUXFZVRDUKY-RYUDHWBXSA-N 1 0 318.446 2.348 50 0 DEAARO Cc1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000091907622 193124814 /nfs/dbraw/zinc/12/48/14/193124814.db2.gz HDEQTIITNSNSMP-IAGOWNOFSA-N 1 0 306.425 2.270 50 0 DEAARO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000092006664 193140611 /nfs/dbraw/zinc/14/06/11/193140611.db2.gz IEAZTYHOKMNWKB-BZNIZROVSA-N 1 0 302.374 2.070 50 0 DEAARO O=C(NCC1([NH+]2CCCC2)CCCC1)[C@@H](O)Cc1ccccc1 ZINC000219679600 201561671 /nfs/dbraw/zinc/56/16/71/201561671.db2.gz PUHXOSPRNBQKCV-KRWDZBQOSA-N 1 0 316.445 2.115 50 0 DEAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000222132104 201602650 /nfs/dbraw/zinc/60/26/50/201602650.db2.gz BTOSGTHRGTUQQD-XIRDDKMYSA-N 1 0 304.434 2.151 50 0 DEAARO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000221289572 201585195 /nfs/dbraw/zinc/58/51/95/201585195.db2.gz KAYGWBDPXASPQL-KGLIPLIRSA-N 1 0 310.463 2.430 50 0 DEAARO O=C(NCC1CCCCC1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000252537218 202865138 /nfs/dbraw/zinc/86/51/38/202865138.db2.gz KSVZKEMMCOZVMS-BRWVUGGUSA-N 1 0 323.481 2.005 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)nc1 ZINC000229398158 284200482 /nfs/dbraw/zinc/20/04/82/284200482.db2.gz WYWTWOQUNMEPKA-RYUDHWBXSA-N 1 0 313.323 2.457 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000096494291 193670497 /nfs/dbraw/zinc/67/04/97/193670497.db2.gz CRSMPGOCMQGSJD-HNNXBMFYSA-N 1 0 304.390 2.201 50 0 DEAARO O=C1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C2(CCC2)N1 ZINC000282598916 217115863 /nfs/dbraw/zinc/11/58/63/217115863.db2.gz CUVCCLLKQUVXJE-INIZCTEOSA-N 1 0 310.401 2.163 50 0 DEAARO O=C(NCCC[NH+]1CCCCC1)N[C@H]1COc2ccccc2C1 ZINC000015787247 182017860 /nfs/dbraw/zinc/01/78/60/182017860.db2.gz KAEQRANJSZMJKA-MRXNPFEDSA-N 1 0 317.433 2.165 50 0 DEAARO COc1ccc(OC)c(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000017031570 182069356 /nfs/dbraw/zinc/06/93/56/182069356.db2.gz HKVNTJJAGANREA-UHFFFAOYSA-N 1 0 307.394 2.311 50 0 DEAARO C[N@@H+]1CCN(Cc2ccc(-c3ccco3)cc2)C[C@@H]1CCO ZINC000019837998 182155560 /nfs/dbraw/zinc/15/55/60/182155560.db2.gz NBPFVFGRYWFAQE-KRWDZBQOSA-N 1 0 300.402 2.445 50 0 DEAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019938327 182167789 /nfs/dbraw/zinc/16/77/89/182167789.db2.gz BNQISAOSPSREGL-INIZCTEOSA-N 1 0 312.841 2.248 50 0 DEAARO CC(=O)c1cc(CC(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000020119020 182189081 /nfs/dbraw/zinc/18/90/81/182189081.db2.gz JTTNJRLXBVWYBW-AWEZNQCLSA-N 1 0 308.447 2.436 50 0 DEAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC(C)C)C2=O)cc1 ZINC000020130929 182190271 /nfs/dbraw/zinc/19/02/71/182190271.db2.gz MSJNRQSHRHFQFE-OAHLLOKOSA-N 1 0 304.390 2.353 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccccc2Cl)CC1 ZINC000023014268 182344766 /nfs/dbraw/zinc/34/47/66/182344766.db2.gz XUDFTNCKKJQLIL-UHFFFAOYSA-N 1 0 310.825 2.428 50 0 DEAARO CCCS(=O)(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000023130498 182349895 /nfs/dbraw/zinc/34/98/95/182349895.db2.gz MFEXQPMWIKRHKJ-KRWDZBQOSA-N 1 0 324.490 2.365 50 0 DEAARO COc1ccccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000023624251 182364455 /nfs/dbraw/zinc/36/44/55/182364455.db2.gz VJBIBEPXACRITD-AWEZNQCLSA-N 1 0 321.421 2.174 50 0 DEAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000024680244 182386966 /nfs/dbraw/zinc/38/69/66/182386966.db2.gz VHSQIHPZKFQSTQ-OAHLLOKOSA-N 1 0 301.365 2.427 50 0 DEAARO CC(C)[NH+](CCNC(=O)c1cnn(-c2ccccc2)n1)C(C)C ZINC000040162051 183042112 /nfs/dbraw/zinc/04/21/12/183042112.db2.gz CPUIYJAEYYPEBM-UHFFFAOYSA-N 1 0 315.421 2.116 50 0 DEAARO CCOC(=O)C1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000040460791 183069775 /nfs/dbraw/zinc/06/97/75/183069775.db2.gz UWJCIFOFPXNEFN-UHFFFAOYSA-N 1 0 307.390 2.349 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccsc1 ZINC000040500873 183083347 /nfs/dbraw/zinc/08/33/47/183083347.db2.gz OUIUZHJXZURNDK-GDBMZVCRSA-N 1 0 316.426 2.471 50 0 DEAARO Cc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000040539067 183096301 /nfs/dbraw/zinc/09/63/01/183096301.db2.gz YZFWEALFTAXCKF-UHFFFAOYSA-N 1 0 316.445 2.108 50 0 DEAARO C[NH+]1CCC(NC(=O)CCn2ncc3c2cccc3Cl)CC1 ZINC000040769148 183130928 /nfs/dbraw/zinc/13/09/28/183130928.db2.gz BOQSSHAOIDBYFJ-UHFFFAOYSA-N 1 0 320.824 2.290 50 0 DEAARO COc1ccc(C[NH2+]Cc2cc3c(c(OC)c2)OCO3)cn1 ZINC000042202889 183241743 /nfs/dbraw/zinc/24/17/43/183241743.db2.gz JYPXLQRMFWHCFZ-UHFFFAOYSA-N 1 0 302.330 2.117 50 0 DEAARO COc1cccc(C[NH2+]Cc2ccc(N(C)C)nc2)c1OC ZINC000042227373 183245015 /nfs/dbraw/zinc/24/50/15/183245015.db2.gz URQUBGNOEXOLCK-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)o1 ZINC000042501374 183277046 /nfs/dbraw/zinc/27/70/46/183277046.db2.gz HCFOJYWHRLRPRU-ZDUSSCGKSA-N 1 0 304.394 2.136 50 0 DEAARO C[C@H](CNC(=O)Nc1nncs1)[N@@H+]1CCc2ccccc2C1 ZINC000043127934 183338873 /nfs/dbraw/zinc/33/88/73/183338873.db2.gz FXNUFGHKBPZMCO-LLVKDONJSA-N 1 0 317.418 2.106 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCSCC1 ZINC000043166994 183343052 /nfs/dbraw/zinc/34/30/52/183343052.db2.gz HDYFNZGDRUKLAS-ZDUSSCGKSA-N 1 0 309.435 2.175 50 0 DEAARO COCc1ccc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)o1 ZINC000104534724 194014037 /nfs/dbraw/zinc/01/40/37/194014037.db2.gz KMURZTCOSYZEGK-MRXNPFEDSA-N 1 0 322.449 2.261 50 0 DEAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000105885582 194157012 /nfs/dbraw/zinc/15/70/12/194157012.db2.gz NHOSDFCGNIXXBD-MRXNPFEDSA-N 1 0 316.453 2.157 50 0 DEAARO CCOc1ncccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048200956 183626942 /nfs/dbraw/zinc/62/69/42/183626942.db2.gz TUYFRWNVLPCKFA-TZMCWYRMSA-N 1 0 304.394 2.229 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000106577552 194232127 /nfs/dbraw/zinc/23/21/27/194232127.db2.gz RXEGXUDJHCMGIV-ROUUACIJSA-N 1 0 314.429 2.158 50 0 DEAARO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000106655591 194241352 /nfs/dbraw/zinc/24/13/52/194241352.db2.gz TZEANPOXUYTFCV-PWSUYJOCSA-N 1 0 303.362 2.329 50 0 DEAARO NC(=O)CCn1cc(C[NH2+]CCc2ccncc2)c2ccccc21 ZINC000055370209 183982817 /nfs/dbraw/zinc/98/28/17/183982817.db2.gz GWMYQMIVUKKMBM-UHFFFAOYSA-N 1 0 322.412 2.244 50 0 DEAARO CC(=O)N(C)C1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000058166290 184083117 /nfs/dbraw/zinc/08/31/17/184083117.db2.gz RXFOWTLDQMJDOM-UHFFFAOYSA-N 1 0 312.417 2.381 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1OC ZINC000058390812 184111440 /nfs/dbraw/zinc/11/14/40/184111440.db2.gz WRASFJREGDWYEB-UHFFFAOYSA-N 1 0 314.813 2.047 50 0 DEAARO CCCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058413654 184114867 /nfs/dbraw/zinc/11/48/67/184114867.db2.gz GACSVNMHFVFEFH-SJORKVTESA-N 1 0 302.418 2.232 50 0 DEAARO CO[C@@H](C[NH2+]Cc1c(C)nn(C)c1N(C)C)c1ccccc1 ZINC000058428953 184116890 /nfs/dbraw/zinc/11/68/90/184116890.db2.gz BMRLPUNSQUOHCF-INIZCTEOSA-N 1 0 302.422 2.272 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000058431625 184117567 /nfs/dbraw/zinc/11/75/67/184117567.db2.gz AIWPYVSACYBWSC-CQSZACIVSA-N 1 0 306.454 2.488 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000060722336 184154909 /nfs/dbraw/zinc/15/49/09/184154909.db2.gz AFEYZNKQSFRSFQ-HOTGVXAUSA-N 1 0 301.390 2.002 50 0 DEAARO COC(=O)c1ccc([C@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000062001629 184200536 /nfs/dbraw/zinc/20/05/36/184200536.db2.gz UZAHARYZRYRNPW-APWZRJJASA-N 1 0 322.364 2.398 50 0 biogenic DEAARO Cc1onc(-c2ccccn2)c1C(=O)NCCC[NH+]1CCCC1 ZINC000064472221 184298125 /nfs/dbraw/zinc/29/81/25/184298125.db2.gz PGQSYNVXVRJNHJ-UHFFFAOYSA-N 1 0 314.389 2.261 50 0 DEAARO Cc1ccc([C@H](CNc2cnn(C)c(=O)c2Cl)[NH+](C)C)cc1 ZINC000064114151 184292651 /nfs/dbraw/zinc/29/26/51/184292651.db2.gz SZPYPRRLJWXKHQ-AWEZNQCLSA-N 1 0 320.824 2.457 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1csc(-c2ccncc2)n1 ZINC000064998415 184307815 /nfs/dbraw/zinc/30/78/15/184307815.db2.gz ZZHIWSAZLMPIIH-UHFFFAOYSA-N 1 0 304.419 2.277 50 0 DEAARO CCc1ncc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)cn1 ZINC000065371913 184329968 /nfs/dbraw/zinc/32/99/68/184329968.db2.gz XPGLBTFSYAWLGG-KRWDZBQOSA-N 1 0 324.428 2.168 50 0 DEAARO COc1c(C[NH2+]Cc2ccccc2-n2cccn2)c(C)nn1C ZINC000065475861 184351799 /nfs/dbraw/zinc/35/17/99/184351799.db2.gz IKEZMPFAAIMJPD-UHFFFAOYSA-N 1 0 311.389 2.213 50 0 DEAARO Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)c1 ZINC000065487578 184352480 /nfs/dbraw/zinc/35/24/80/184352480.db2.gz ZSMVISZLWCNVIV-MRXNPFEDSA-N 1 0 312.417 2.023 50 0 DEAARO O=C(N[C@@H](CO)c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000065531830 184361678 /nfs/dbraw/zinc/36/16/78/184361678.db2.gz ZMFAWTOFFGAFFM-INIZCTEOSA-N 1 0 302.418 2.245 50 0 DEAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000065538564 184363489 /nfs/dbraw/zinc/36/34/89/184363489.db2.gz MYAQHERJQIQWKS-INIZCTEOSA-N 1 0 320.400 2.148 50 0 DEAARO CCOCCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000065540475 184363495 /nfs/dbraw/zinc/36/34/95/184363495.db2.gz NFMZXTLPZOCKCJ-UHFFFAOYSA-N 1 0 317.389 2.364 50 0 DEAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000065595139 184371027 /nfs/dbraw/zinc/37/10/27/184371027.db2.gz ZJFAGYDJXSFFSU-MRXNPFEDSA-N 1 0 315.417 2.337 50 0 DEAARO C[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)cc1 ZINC000065500709 184355497 /nfs/dbraw/zinc/35/54/97/184355497.db2.gz TWHOCUAGZNIQOQ-JTQLQIEISA-N 1 0 309.797 2.321 50 0 DEAARO Cc1ccc([C@@H](C[NH2+]Cc2c(C)n[nH]c2C)N2CCOCC2)o1 ZINC000065512391 184357521 /nfs/dbraw/zinc/35/75/21/184357521.db2.gz VEZOWKWABHZBNR-MRXNPFEDSA-N 1 0 318.421 2.091 50 0 DEAARO COc1nccnc1Oc1ccccc1CN1CC[NH+](C)CC1 ZINC000067676384 184478575 /nfs/dbraw/zinc/47/85/75/184478575.db2.gz UPAVHFXGZFQVLU-UHFFFAOYSA-N 1 0 314.389 2.025 50 0 DEAARO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000095908569 285037766 /nfs/dbraw/zinc/03/77/66/285037766.db2.gz WGDOWJROEUCTKV-LLVKDONJSA-N 1 0 318.236 2.365 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000120112495 195099426 /nfs/dbraw/zinc/09/94/26/195099426.db2.gz VEGNLHATDDJTOW-KBPBESRZSA-N 1 0 321.446 2.242 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1 ZINC000158910820 197309965 /nfs/dbraw/zinc/30/99/65/197309965.db2.gz JTFVIVZGYPMIBV-OAHLLOKOSA-N 1 0 304.434 2.474 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158330797 197263600 /nfs/dbraw/zinc/26/36/00/197263600.db2.gz WPZUTYYSPMQEKC-KTRBRXNASA-N 1 0 324.856 2.464 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000158292980 197259742 /nfs/dbraw/zinc/25/97/42/197259742.db2.gz WCLISWISUYQUGN-SNVBAGLBSA-N 1 0 315.186 2.080 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000158184428 197251518 /nfs/dbraw/zinc/25/15/18/197251518.db2.gz HISYUPXDPAOBPH-LJLILKBBSA-N 1 0 309.207 2.412 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000157574829 197199028 /nfs/dbraw/zinc/19/90/28/197199028.db2.gz QPWAWCXUHMZLLI-HNNXBMFYSA-N 1 0 321.490 2.032 50 0 DEAARO CC[C@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000157346279 197181019 /nfs/dbraw/zinc/18/10/19/197181019.db2.gz PGVLSHMREHBACH-MRXNPFEDSA-N 1 0 304.434 2.176 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)[C@@H]1C[NH3+] ZINC000156861899 197145757 /nfs/dbraw/zinc/14/57/57/197145757.db2.gz QOJXPUAWVHPMJB-DGCLKSJQSA-N 1 0 316.430 2.405 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000156387301 197109625 /nfs/dbraw/zinc/10/96/25/197109625.db2.gz QLXUWXOGEYPEJZ-ZBFHGGJFSA-N 1 0 312.417 2.001 50 0 DEAARO C[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CC[NH2+]1 ZINC000155072044 197018798 /nfs/dbraw/zinc/01/87/98/197018798.db2.gz XYWCAGWZMCWFDW-AWEZNQCLSA-N 1 0 311.385 2.095 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C[C@@H](C)[NH2+]1 ZINC000154289390 196954924 /nfs/dbraw/zinc/95/49/24/196954924.db2.gz BIGLBOZLNAAPCZ-CHWSQXEVSA-N 1 0 311.385 2.068 50 0 DEAARO C[NH2+]CC1CCN(C(=O)/C=C/c2ccc(OC)c(F)c2)CC1 ZINC000152211044 196788724 /nfs/dbraw/zinc/78/87/24/196788724.db2.gz YCMSFVZFNNAGNW-GQCTYLIASA-N 1 0 306.381 2.306 50 0 DEAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000070148985 257253824 /nfs/dbraw/zinc/25/38/24/257253824.db2.gz KAGDSCMIDMVOLG-NSHDSACASA-N 1 0 301.312 2.444 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000376719229 133305102 /nfs/dbraw/zinc/30/51/02/133305102.db2.gz VEBIXMZZSHAWPH-AWEZNQCLSA-N 1 0 314.476 2.129 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000071870478 401689717 /nfs/dbraw/zinc/68/97/17/401689717.db2.gz KGOLBBDUTMVUGF-KBPBESRZSA-N 1 0 323.462 2.378 50 0 DEAARO c1ncn(C[C@@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC000071876425 401690973 /nfs/dbraw/zinc/69/09/73/401690973.db2.gz JITJLIHAMJICED-HNNXBMFYSA-N 1 0 314.389 2.104 50 0 DEAARO CCOC(=O)C1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000000277385 401693317 /nfs/dbraw/zinc/69/33/17/401693317.db2.gz SCDILUAZXZHHAK-UHFFFAOYSA-N 1 0 305.374 2.248 50 0 DEAARO Cc1nc([C@@H](NC(=O)C[N@@H+](C)C(C)C)c2ccccc2F)no1 ZINC000071908147 401695360 /nfs/dbraw/zinc/69/53/60/401695360.db2.gz PSDLKJAPFGMQEX-HNNXBMFYSA-N 1 0 320.368 2.063 50 0 DEAARO Cc1nc([C@H](NC(=O)C[N@@H+](C)C(C)C)c2ccccc2F)no1 ZINC000071908146 401695791 /nfs/dbraw/zinc/69/57/91/401695791.db2.gz PSDLKJAPFGMQEX-OAHLLOKOSA-N 1 0 320.368 2.063 50 0 DEAARO CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000071910553 401696306 /nfs/dbraw/zinc/69/63/06/401696306.db2.gz UMLYLUHIEFONSF-HNNXBMFYSA-N 1 0 302.418 2.497 50 0 DEAARO CSCc1ccc(C[NH2+]C[C@@H]2CCc3nnc(C)n3C2)o1 ZINC000072267363 401704795 /nfs/dbraw/zinc/70/47/95/401704795.db2.gz YFCSLPCDWSVXOX-LBPRGKRZSA-N 1 0 306.435 2.395 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 ZINC000072517664 401710401 /nfs/dbraw/zinc/71/04/01/401710401.db2.gz KKZKFZSBAJKTLT-ZIAGYGMSSA-N 1 0 318.446 2.024 50 0 DEAARO OCCOCC[NH2+]CCOc1ccccc1Cc1ccccc1 ZINC000002879771 401719572 /nfs/dbraw/zinc/71/95/72/401719572.db2.gz ITWYEZHCHMFXAW-UHFFFAOYSA-N 1 0 315.413 2.255 50 0 DEAARO Cc1cnc(C)c(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000077356480 401811870 /nfs/dbraw/zinc/81/18/70/401811870.db2.gz AUQPOWBYUYAEMU-OKILXGFUSA-N 1 0 304.438 2.171 50 0 DEAARO Cc1ccc(NC(=O)COCC2CC2)c(OCC[NH+](C)C)c1 ZINC000075143161 401751490 /nfs/dbraw/zinc/75/14/90/401751490.db2.gz NCCXSQTWUVGFMG-UHFFFAOYSA-N 1 0 306.406 2.301 50 0 DEAARO CC(C)c1nccc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)n1 ZINC000077301716 401809641 /nfs/dbraw/zinc/80/96/41/401809641.db2.gz RBWFETWELSKOQG-SFHVURJKSA-N 1 0 318.465 2.023 50 0 DEAARO Cc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2ccc(O)cc2)C1=O ZINC000009482261 401763004 /nfs/dbraw/zinc/76/30/04/401763004.db2.gz PGXRADMQFBMASA-MRXNPFEDSA-N 1 0 324.380 2.165 50 0 DEAARO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)OCO2 ZINC000075612317 401764023 /nfs/dbraw/zinc/76/40/23/401764023.db2.gz HFDVBBOGVMXOLF-UHFFFAOYSA-N 1 0 308.378 2.372 50 0 DEAARO Cc1noc(C)c1COc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000009604961 401764160 /nfs/dbraw/zinc/76/41/60/401764160.db2.gz VFBOIHPAYQKZPQ-UHFFFAOYSA-N 1 0 317.389 2.162 50 0 DEAARO CC(C)(CNc1nnnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000009951112 401767492 /nfs/dbraw/zinc/76/74/92/401767492.db2.gz KFDFZMHPQSOETJ-UHFFFAOYSA-N 1 0 300.410 2.339 50 0 DEAARO CCO[C@@H](C)c1noc(CN2CC[NH+](CC3CCCC3)CC2)n1 ZINC000075916083 401773801 /nfs/dbraw/zinc/77/38/01/401773801.db2.gz VTRRNHDHXZVPDN-AWEZNQCLSA-N 1 0 322.453 2.475 50 0 DEAARO Fc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1F ZINC000011843538 401776589 /nfs/dbraw/zinc/77/65/89/401776589.db2.gz SWAWWQKYRJCYJG-UHFFFAOYSA-N 1 0 319.355 2.486 50 0 DEAARO COc1ccc(OC[C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000077323734 401810413 /nfs/dbraw/zinc/81/04/13/401810413.db2.gz XITAPRKCRUDIKR-ZDUSSCGKSA-N 1 0 306.406 2.050 50 0 DEAARO Cc1nsc(N)c1C(=O)OCC(=O)Nc1c(C)cccc1C ZINC000012612468 401788769 /nfs/dbraw/zinc/78/87/69/401788769.db2.gz DASJEGPKLAQFAQ-UHFFFAOYSA-N 1 0 319.386 2.276 50 0 DEAARO C[N@H+](CCCNC(=O)c1ccc2n[nH]nc2c1)Cc1ccccc1 ZINC000012601202 401788992 /nfs/dbraw/zinc/78/89/92/401788992.db2.gz HYAHTBDQXZHXBF-UHFFFAOYSA-N 1 0 323.400 2.210 50 0 DEAARO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCCCCC1 ZINC000015461470 401818213 /nfs/dbraw/zinc/81/82/13/401818213.db2.gz SULQVNJCIQMQAV-CYBMUJFWSA-N 1 0 301.390 2.236 50 0 DEAARO CCc1nnsc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000022622926 401827017 /nfs/dbraw/zinc/82/70/17/401827017.db2.gz YCEPLTNFZNOONT-CYBMUJFWSA-N 1 0 304.419 2.133 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330612 401832990 /nfs/dbraw/zinc/83/29/90/401832990.db2.gz NMHYOKISYUJPPB-CQSZACIVSA-N 1 0 307.419 2.315 50 0 DEAARO Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025815226 401837460 /nfs/dbraw/zinc/83/74/60/401837460.db2.gz LJISKRAMWBRRKT-HNNXBMFYSA-N 1 0 320.462 2.060 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nc3ccccc3nc1C)CC2 ZINC000078783577 401865802 /nfs/dbraw/zinc/86/58/02/401865802.db2.gz LEEIWLKXQCJDGJ-ZDUSSCGKSA-N 1 0 322.416 2.197 50 0 DEAARO COc1cc(C[NH2+][C@H](C)Cn2cccn2)cc(OC)c1OC ZINC000030904355 401867056 /nfs/dbraw/zinc/86/70/56/401867056.db2.gz MDGBIGDIXXFTEN-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO O=C(Cn1cccn1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000015067406 401815680 /nfs/dbraw/zinc/81/56/80/401815680.db2.gz AKEOGZHEECLWQG-INIZCTEOSA-N 1 0 304.438 2.044 50 0 DEAARO CCNC(=O)[C@@H]1CC[N@H+](CCOC)[C@@H]1c1ccc(Cl)cc1 ZINC000040488299 401925046 /nfs/dbraw/zinc/92/50/46/401925046.db2.gz DQPBOCTZDDRXQA-HUUCEWRRSA-N 1 0 310.825 2.486 50 0 DEAARO CC(C)[N@@H+]1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1CCO ZINC000036385630 401905013 /nfs/dbraw/zinc/90/50/13/401905013.db2.gz RMWWRRSZFPEIAZ-CQSZACIVSA-N 1 0 323.506 2.299 50 0 DEAARO CCNc1cc(NCCNC(=O)c2cccc(F)c2)nc(C)[nH+]1 ZINC000036708071 401906588 /nfs/dbraw/zinc/90/65/88/401906588.db2.gz SRKRGRKYSISFAS-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO COCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000085467983 401916768 /nfs/dbraw/zinc/91/67/68/401916768.db2.gz SQLGTKIAUSZPNS-UHFFFAOYSA-N 1 0 310.825 2.110 50 0 DEAARO c1nc2ncnc(NC3CC[NH+](CCc4ccccc4)CC3)c2[nH]1 ZINC000044975662 401952388 /nfs/dbraw/zinc/95/23/88/401952388.db2.gz SKKLYFSCKWWBAB-UHFFFAOYSA-N 1 0 322.416 2.472 50 0 DEAARO COC(=O)CCNC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000089669431 401956959 /nfs/dbraw/zinc/95/69/59/401956959.db2.gz LIMDAQRJGJAYEL-INIZCTEOSA-N 1 0 318.417 2.201 50 0 DEAARO Cc1nsc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000089721342 401959702 /nfs/dbraw/zinc/95/97/02/401959702.db2.gz KRLZHMOMAILCJM-UHFFFAOYSA-N 1 0 318.446 2.484 50 0 DEAARO O=C1[C@H]([NH2+]C[C@H]2CCCn3ccnc32)CCN1c1ccccc1 ZINC000089845610 401967889 /nfs/dbraw/zinc/96/78/89/401967889.db2.gz LHRMDPPDGZJSCV-GDBMZVCRSA-N 1 0 310.401 2.156 50 0 DEAARO C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000089905608 401972534 /nfs/dbraw/zinc/97/25/34/401972534.db2.gz GJJPFLFIMSHLBP-CGTJXYLNSA-N 1 0 315.461 2.280 50 0 DEAARO COCCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC000089937512 401975255 /nfs/dbraw/zinc/97/52/55/401975255.db2.gz OZGWTYHJPBJQNJ-KBXCAEBGSA-N 1 0 320.433 2.058 50 0 DEAARO O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000047498266 401982683 /nfs/dbraw/zinc/98/26/83/401982683.db2.gz YRIOMNMHOWBFND-MNOVXSKESA-N 1 0 307.423 2.164 50 0 DEAARO COCC[N@@H+]1CCCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000048251605 401996318 /nfs/dbraw/zinc/99/63/18/401996318.db2.gz KRFNAOMJOREWFG-UHFFFAOYSA-N 1 0 322.474 2.421 50 0 DEAARO C/C=C(/C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000135556191 401944851 /nfs/dbraw/zinc/94/48/51/401944851.db2.gz WHKJAXQTZCHUJU-MFWALYKBSA-N 1 0 302.418 2.226 50 0 DEAARO Cc1ncnc(N2CCCO[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000095355485 402026956 /nfs/dbraw/zinc/02/69/56/402026956.db2.gz XCQRGDMAIOGADU-MRXNPFEDSA-N 1 0 304.438 2.175 50 0 DEAARO Cc1c[nH]nc1C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000095379331 402030417 /nfs/dbraw/zinc/03/04/17/402030417.db2.gz PQDXMRPNSVRIPW-UHFFFAOYSA-N 1 0 312.421 2.353 50 0 DEAARO C[N@H+](CCc1nc2c([nH]1)C(=O)NCC(C)(C)C2)C1CCCC1 ZINC000095386822 402031816 /nfs/dbraw/zinc/03/18/16/402031816.db2.gz WTVNUVRPPXNAFK-UHFFFAOYSA-N 1 0 304.438 2.139 50 0 DEAARO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1c(Cl)ccc(F)c1Cl ZINC000151356910 402031960 /nfs/dbraw/zinc/03/19/60/402031960.db2.gz SRIVNKVSUAAQJW-BYULHYEWSA-N 1 0 321.179 2.033 50 0 DEAARO CCC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1[NH+](C)C ZINC000095503733 402033601 /nfs/dbraw/zinc/03/36/01/402033601.db2.gz OAGGPQYLYWPGRY-GDBMZVCRSA-N 1 0 306.454 2.148 50 0 DEAARO CC[C@@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)[NH+](C)C ZINC000096009263 402046602 /nfs/dbraw/zinc/04/66/02/402046602.db2.gz FHZULARCHIFRPS-HNNXBMFYSA-N 1 0 305.422 2.100 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000053203077 402052902 /nfs/dbraw/zinc/05/29/02/402052902.db2.gz WOTJORYBKAWDPS-SECBINFHSA-N 1 0 323.245 2.366 50 0 DEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCSc2c[nH]nn2)cc1 ZINC000055269485 402078791 /nfs/dbraw/zinc/07/87/91/402078791.db2.gz HZKZFTDZEACPBO-UHFFFAOYSA-N 1 0 318.381 2.216 50 0 DEAARO O=C1OCCN1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000096406606 402078961 /nfs/dbraw/zinc/07/89/61/402078961.db2.gz JJOOUHUKMNOUCM-UHFFFAOYSA-N 1 0 308.353 2.121 50 0 DEAARO CCCC(=O)N1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000055377365 402080878 /nfs/dbraw/zinc/08/08/78/402080878.db2.gz QEIAVYJFKHQLOM-HNNXBMFYSA-N 1 0 323.481 2.016 50 0 DEAARO CCCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000055383215 402081017 /nfs/dbraw/zinc/08/10/17/402081017.db2.gz ONOWSHUTPHVAPJ-CQSZACIVSA-N 1 0 314.433 2.372 50 0 DEAARO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc[nH]3)[C@H](C)C2)s1 ZINC000096419304 402082143 /nfs/dbraw/zinc/08/21/43/402082143.db2.gz OPCZXMNOTIFGFJ-BXUZGUMPSA-N 1 0 318.446 2.420 50 0 DEAARO C[C@](CO)([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000096420056 402082325 /nfs/dbraw/zinc/08/23/25/402082325.db2.gz BYSSDDZDBJBFRO-TZMCWYRMSA-N 1 0 322.371 2.071 50 0 DEAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccs1 ZINC000096424711 402083872 /nfs/dbraw/zinc/08/38/72/402083872.db2.gz VTBCKZJLULGLFX-CABCVRRESA-N 1 0 310.463 2.332 50 0 DEAARO O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000152246059 402084316 /nfs/dbraw/zinc/08/43/16/402084316.db2.gz OHRAXFYBCRVZEE-FGTMMUONSA-N 1 0 316.445 2.318 50 0 DEAARO Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000096430757 402085471 /nfs/dbraw/zinc/08/54/71/402085471.db2.gz IVZZWMUOTUQCJI-MAUKXSAKSA-N 1 0 316.445 2.453 50 0 DEAARO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000096478054 402093586 /nfs/dbraw/zinc/09/35/86/402093586.db2.gz ALPSXBROMPTHAP-ZFWWWQNUSA-N 1 0 315.417 2.085 50 0 DEAARO NC(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000097034682 402101065 /nfs/dbraw/zinc/10/10/65/402101065.db2.gz GYEHUVATPHBAMW-BBWFWOEESA-N 1 0 314.429 2.265 50 0 DEAARO CC(C)C[C@H]([NH2+][C@@H]1CCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097038899 402101517 /nfs/dbraw/zinc/10/15/17/402101517.db2.gz LQNMUGQTVJCIAT-ZJUUUORDSA-N 1 0 308.411 2.037 50 0 DEAARO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061884055 402109073 /nfs/dbraw/zinc/10/90/73/402109073.db2.gz XNOMNOLMVNIDFN-MWLCHTKSSA-N 1 0 322.352 2.111 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063193996 402111603 /nfs/dbraw/zinc/11/16/03/402111603.db2.gz GQSHTBLBNLQMOM-JOYOIKCWSA-N 1 0 320.817 2.370 50 0 DEAARO Cc1cccc(NC[C@H]2CCN(c3ncnc4c3cnn4C)C2)[nH+]1 ZINC000097201004 402115644 /nfs/dbraw/zinc/11/56/44/402115644.db2.gz IQRMPWPAGCFSLV-CYBMUJFWSA-N 1 0 323.404 2.005 50 0 DEAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1 ZINC000152906080 402116037 /nfs/dbraw/zinc/11/60/37/402116037.db2.gz NAZOYUYBSYBUPF-ZDUSSCGKSA-N 1 0 314.385 2.348 50 0 DEAARO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)n1 ZINC000097200940 402116170 /nfs/dbraw/zinc/11/61/70/402116170.db2.gz PYQBTUCDWHVHQH-MRXNPFEDSA-N 1 0 324.428 2.423 50 0 DEAARO O[C@@]1(CNCc2ccc(Cl)nc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063871273 402116457 /nfs/dbraw/zinc/11/64/57/402116457.db2.gz ZKDBQICPEFACHO-GDBMZVCRSA-N 1 0 309.841 2.204 50 0 DEAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(c4cn[nH]c4)CC3)nc12 ZINC000097202880 402116948 /nfs/dbraw/zinc/11/69/48/402116948.db2.gz XVHYVVJNUOTSMW-UHFFFAOYSA-N 1 0 323.400 2.106 50 0 DEAARO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)c(F)c1 ZINC000097230758 402118871 /nfs/dbraw/zinc/11/88/71/402118871.db2.gz BRNWWCRBFYQDFM-WDEREUQCSA-N 1 0 305.390 2.481 50 0 DEAARO CCOc1ccc(C(C)=O)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000096161766 402064077 /nfs/dbraw/zinc/06/40/77/402064077.db2.gz QORCCSIGIUAWLG-CQSZACIVSA-N 1 0 319.405 2.456 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)cc(Br)c1 ZINC000054370745 402067087 /nfs/dbraw/zinc/06/70/87/402067087.db2.gz LLUWSPNAYSSKKV-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000123655938 402140254 /nfs/dbraw/zinc/14/02/54/402140254.db2.gz PQUQYNPUGCKJRY-IYBDPMFKSA-N 1 0 323.481 2.317 50 0 DEAARO C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000153545280 402152073 /nfs/dbraw/zinc/15/20/73/402152073.db2.gz AEMMLUAJOLOHEF-OKILXGFUSA-N 1 0 320.408 2.083 50 0 DEAARO COc1c(C)cnc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000067226554 402154747 /nfs/dbraw/zinc/15/47/47/402154747.db2.gz RUCZHZYFLDDGMK-INIZCTEOSA-N 1 0 319.449 2.004 50 0 DEAARO [NH3+]C[C@H]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067920784 402178444 /nfs/dbraw/zinc/17/84/44/402178444.db2.gz JPAAAZSWMDJASG-CQSZACIVSA-N 1 0 307.401 2.177 50 0 DEAARO [NH3+]C[C@@H]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067920786 402178805 /nfs/dbraw/zinc/17/88/05/402178805.db2.gz JPAAAZSWMDJASG-AWEZNQCLSA-N 1 0 307.401 2.177 50 0 DEAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2nc(C)n(C)n2)c1 ZINC000067982964 402181867 /nfs/dbraw/zinc/18/18/67/402181867.db2.gz JBSDGKMPLYARHD-UHFFFAOYSA-N 1 0 301.394 2.218 50 0 DEAARO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103447441 402188468 /nfs/dbraw/zinc/18/84/68/402188468.db2.gz FKRQMCOSLYAQKU-GRYCIOLGSA-N 1 0 316.405 2.161 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(C)=O)cc2C)C1 ZINC000067560106 402162487 /nfs/dbraw/zinc/16/24/87/402162487.db2.gz LHSBIOKGYGPWKV-HNNXBMFYSA-N 1 0 317.433 2.415 50 0 DEAARO O=C(C[NH+]1CCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000067587105 402163493 /nfs/dbraw/zinc/16/34/93/402163493.db2.gz 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/nfs/dbraw/zinc/17/52/65/402175265.db2.gz TXLOFTYBCWMZDX-SNVBAGLBSA-N 1 0 321.764 2.076 50 0 DEAARO COC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000067895924 402178176 /nfs/dbraw/zinc/17/81/76/402178176.db2.gz KNWZFENEUHSMFZ-OAHLLOKOSA-N 1 0 322.424 2.497 50 0 DEAARO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000106517120 402214208 /nfs/dbraw/zinc/21/42/08/402214208.db2.gz KAOWURKSHPHOFQ-IRXDYDNUSA-N 1 0 302.418 2.403 50 0 DEAARO CN(C)[C@H](C[NH2+]CCn1c2ccccc2oc1=O)c1ccco1 ZINC000069157781 402214956 /nfs/dbraw/zinc/21/49/56/402214956.db2.gz DGPWHHSXAWSVTQ-CQSZACIVSA-N 1 0 315.373 2.080 50 0 DEAARO CCn1nc(C)c(C[NH2+]C[C@@H]2COc3ccccc3O2)c1C ZINC000069370830 402220408 /nfs/dbraw/zinc/22/04/08/402220408.db2.gz ADXVRAUZSXNQGG-CQSZACIVSA-N 1 0 301.390 2.449 50 0 DEAARO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H](C)[NH+](C)C ZINC000069420896 402223105 /nfs/dbraw/zinc/22/31/05/402223105.db2.gz DWKVNDZEDRIHAL-OLZOCXBDSA-N 1 0 317.437 2.391 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000125281583 402223532 /nfs/dbraw/zinc/22/35/32/402223532.db2.gz YPZMPYCFNYFNQL-SNVBAGLBSA-N 1 0 305.378 2.383 50 0 DEAARO c1nc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cs1 ZINC000069536533 402230491 /nfs/dbraw/zinc/23/04/91/402230491.db2.gz YUKXMIFCGVPUNR-GFCCVEGCSA-N 1 0 319.434 2.158 50 0 DEAARO Cc1noc(C)c1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000069592586 402232938 /nfs/dbraw/zinc/23/29/38/402232938.db2.gz JRMPQPCXSJDAIZ-UHFFFAOYSA-N 1 0 308.426 2.355 50 0 DEAARO C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000069608070 402233885 /nfs/dbraw/zinc/23/38/85/402233885.db2.gz PKKFJROJLJLBCQ-IAGOWNOFSA-N 1 0 307.482 2.195 50 0 DEAARO COc1ccccc1OCC[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069625573 402235083 /nfs/dbraw/zinc/23/50/83/402235083.db2.gz KWTQHIWCZJGRQV-OAHLLOKOSA-N 1 0 316.405 2.220 50 0 DEAARO CC(C)[C@](O)(C[NH+]1CCC(CC(N)=O)CC1)c1ccccc1 ZINC000069654321 402236518 /nfs/dbraw/zinc/23/65/18/402236518.db2.gz WZQSHNRKXUOPMV-GOSISDBHSA-N 1 0 304.434 2.118 50 0 DEAARO c1ncn(C[C@@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000069653019 402236576 /nfs/dbraw/zinc/23/65/76/402236576.db2.gz UYJXNRXSMJDPIG-HNNXBMFYSA-N 1 0 314.389 2.104 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000069654175 402236604 /nfs/dbraw/zinc/23/66/04/402236604.db2.gz JPKKWEJDKKBFSE-RHSMWYFYSA-N 1 0 312.417 2.190 50 0 DEAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069660986 402237877 /nfs/dbraw/zinc/23/78/77/402237877.db2.gz TVQBYQNVJPVBMC-CQSZACIVSA-N 1 0 308.389 2.194 50 0 DEAARO CCOCC[N@@H+]1CCN(c2ncnc3ccccc32)C[C@@H]1C ZINC000069706654 402239760 /nfs/dbraw/zinc/23/97/60/402239760.db2.gz IBEZPFZYTXEUKI-AWEZNQCLSA-N 1 0 300.406 2.177 50 0 DEAARO O=C(NCC1CCC1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000069702598 402240038 /nfs/dbraw/zinc/24/00/38/402240038.db2.gz HBMQTQVITWZCRU-UHFFFAOYSA-N 1 0 316.449 2.188 50 0 DEAARO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000069770737 402243236 /nfs/dbraw/zinc/24/32/36/402243236.db2.gz SFEYDMPPDVLSRY-KRWDZBQOSA-N 1 0 311.385 2.110 50 0 DEAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000069843275 402246876 /nfs/dbraw/zinc/24/68/76/402246876.db2.gz YPXVLNDREWWNPV-GFCCVEGCSA-N 1 0 316.453 2.213 50 0 DEAARO Fc1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc(F)c1F ZINC000069847047 402247325 /nfs/dbraw/zinc/24/73/25/402247325.db2.gz XKSGALNXKMORHQ-GFCCVEGCSA-N 1 0 300.324 2.057 50 0 DEAARO CCN1CCO[C@H](C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)C1 ZINC000069920058 402251204 /nfs/dbraw/zinc/25/12/04/402251204.db2.gz VKOXJZAJTSLBPX-GFCCVEGCSA-N 1 0 314.861 2.007 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000070173452 402258558 /nfs/dbraw/zinc/25/85/58/402258558.db2.gz LHOCAUSNPDVUIH-ZJUUUORDSA-N 1 0 320.817 2.227 50 0 DEAARO CN1CC[N@H+](C[C@H](O)COc2ccccc2)Cc2ccccc21 ZINC000069088934 402213061 /nfs/dbraw/zinc/21/30/61/402213061.db2.gz FDSMGBLMOLAPQM-KRWDZBQOSA-N 1 0 312.413 2.378 50 0 DEAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C/C(=C\CC(C)C)c1ccccc1 ZINC000071278650 402271783 /nfs/dbraw/zinc/27/17/83/402271783.db2.gz HDEDBZUUJWEJRT-NCNAPHLGSA-N 1 0 315.461 2.264 50 0 DEAARO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000071375497 402273743 /nfs/dbraw/zinc/27/37/43/402273743.db2.gz XVWSBZQOIDUUEK-OAHLLOKOSA-N 1 0 320.433 2.442 50 0 DEAARO CC(C)n1cncc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000215169823 402280451 /nfs/dbraw/zinc/28/04/51/402280451.db2.gz SEKMKQWYHBDSSM-INIZCTEOSA-N 1 0 317.437 2.143 50 0 DEAARO Cc1ccc(C)c(OCC[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000071811030 402280603 /nfs/dbraw/zinc/28/06/03/402280603.db2.gz AFPMEPAERLBKTE-UHFFFAOYSA-N 1 0 317.433 2.172 50 0 DEAARO COc1cccc([C@@H]2CC[N@H+](Cc3cncn3C)C2)c1OC ZINC000215313908 402281889 /nfs/dbraw/zinc/28/18/89/402281889.db2.gz IDWUUXHVPPZTTR-CYBMUJFWSA-N 1 0 301.390 2.427 50 0 DEAARO Cc1cccn2c(=O)cc(C[N@H+](C)C[C@H]3CCCCO3)nc12 ZINC000071821819 402282549 /nfs/dbraw/zinc/28/25/49/402282549.db2.gz IRICAPYBALWTPW-OAHLLOKOSA-N 1 0 301.390 2.004 50 0 DEAARO Cn1c(CCNC(=O)C[NH+]2CCCCCC2)nc2ccccc21 ZINC000215337771 402283301 /nfs/dbraw/zinc/28/33/01/402283301.db2.gz LKOPQNRHSDHEOP-UHFFFAOYSA-N 1 0 314.433 2.108 50 0 DEAARO COCCn1ccnc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000215642656 402283971 /nfs/dbraw/zinc/28/39/71/402283971.db2.gz CWNASGOETCRFJK-UHFFFAOYSA-N 1 0 320.481 2.370 50 0 DEAARO CCc1nccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)n1 ZINC000215632785 402284255 /nfs/dbraw/zinc/28/42/55/402284255.db2.gz VAIQLQUCQRTJJV-AWEZNQCLSA-N 1 0 322.416 2.461 50 0 DEAARO CN(CC(=O)NCc1ccc2ccccc2n1)Cc1ccncc1 ZINC000215921265 402285698 /nfs/dbraw/zinc/28/56/98/402285698.db2.gz BTZQTMZZFHWHJX-UHFFFAOYSA-N 1 0 320.396 2.378 50 0 DEAARO C[N@H+](Cc1cnc(NC[C@H]2CCCO2)nc1)C1CCSCC1 ZINC000215834913 402285845 /nfs/dbraw/zinc/28/58/45/402285845.db2.gz GTBGQKUMQWRBTF-OAHLLOKOSA-N 1 0 322.478 2.395 50 0 DEAARO CC[N@@H+]1C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](OC)C1 ZINC000219287234 402298316 /nfs/dbraw/zinc/29/83/16/402298316.db2.gz NSYPERAWNNGGMJ-GJZGRUSLSA-N 1 0 321.808 2.270 50 0 DEAARO CN1CCO[C@@H](CN(C(=O)[C@@H]2CC=CCC2)c2nccs2)C1 ZINC000221793285 402304644 /nfs/dbraw/zinc/30/46/44/402304644.db2.gz ODASYOOTTIKZMN-ZIAGYGMSSA-N 1 0 321.446 2.163 50 0 DEAARO CCN1C(=O)N[C@](C)([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)C1=O ZINC000221796116 402304739 /nfs/dbraw/zinc/30/47/39/402304739.db2.gz JHNZJGVWGILEAH-JJRVBVJISA-N 1 0 305.422 2.138 50 0 DEAARO O=C(CCc1ccc(F)c(F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000223054586 402309432 /nfs/dbraw/zinc/30/94/32/402309432.db2.gz NHRXBFXCSJFOMI-KRWDZBQOSA-N 1 0 308.372 2.500 50 0 DEAARO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000225421018 402317440 /nfs/dbraw/zinc/31/74/40/402317440.db2.gz BRRZTWZJOFDVJP-OWYJLGKBSA-N 1 0 317.433 2.229 50 0 DEAARO COC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000225459627 402317793 /nfs/dbraw/zinc/31/77/93/402317793.db2.gz NYQMMSFZVPYSGJ-YOEHRIQHSA-N 1 0 319.449 2.498 50 0 DEAARO CN(C)c1nccc(CNCc2ccc(Br)o2)n1 ZINC000225466035 402318317 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O=C(C[N@H+](Cc1ccccn1)C1CCCCC1)N1CCOCC1 ZINC000244882458 402450909 /nfs/dbraw/zinc/45/09/09/402450909.db2.gz XSCQZEFJOZGDTI-UHFFFAOYSA-N 1 0 317.433 2.075 50 0 DEAARO [NH3+]CC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000237982043 402429915 /nfs/dbraw/zinc/42/99/15/402429915.db2.gz LLGBEPFCPMDJBG-LLVKDONJSA-N 1 0 305.378 2.402 50 0 DEAARO Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000239782394 402441613 /nfs/dbraw/zinc/44/16/13/402441613.db2.gz CODHSQHFSFWWPD-INIZCTEOSA-N 1 0 316.453 2.265 50 0 DEAARO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000240444251 402442208 /nfs/dbraw/zinc/44/22/08/402442208.db2.gz FWWXLTBXBJDAAY-MCIONIFRSA-N 1 0 307.404 2.333 50 0 DEAARO COc1ccc(CCC[NH2+][C@@H]2CCCn3ncnc32)cc1F ZINC000241262055 402443043 /nfs/dbraw/zinc/44/30/43/402443043.db2.gz LAZNLPUNCWREPB-CQSZACIVSA-N 1 0 304.369 2.483 50 0 DEAARO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000178550555 402510299 /nfs/dbraw/zinc/51/02/99/402510299.db2.gz 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CC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000252506452 402657272 /nfs/dbraw/zinc/65/72/72/402657272.db2.gz SZIOCDBUAVJAHU-OKZBNKHCSA-N 1 0 316.445 2.238 50 0 DEAARO Cc1nccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000192226274 402718748 /nfs/dbraw/zinc/71/87/48/402718748.db2.gz PTJVZPFCQHYBBU-KRWDZBQOSA-N 1 0 312.417 2.488 50 0 DEAARO CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000253370263 402663016 /nfs/dbraw/zinc/66/30/16/402663016.db2.gz OKUIXNRNXYQTIE-RLFYNMQTSA-N 1 0 323.481 2.316 50 0 DEAARO Cc1noc([C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2CO)n1 ZINC000253394262 402663612 /nfs/dbraw/zinc/66/36/12/402663612.db2.gz ABAUBDHNHQTODY-GXTWGEPZSA-N 1 0 307.781 2.239 50 0 DEAARO COc1cccc(OC)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000253408503 402663990 /nfs/dbraw/zinc/66/39/90/402663990.db2.gz KUCDFXIRYUBFED-CQSZACIVSA-N 1 0 321.417 2.210 50 0 DEAARO CC[N@@H+]1CC[C@H](CNC(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172866969 402678616 /nfs/dbraw/zinc/67/86/16/402678616.db2.gz 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Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc(OCCO)c1 ZINC000655762920 425648052 /nfs/dbraw/zinc/64/80/52/425648052.db2.gz ZYNYVPMYENVRRA-KRWDZBQOSA-N 1 0 320.433 2.031 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000008706503 274254407 /nfs/dbraw/zinc/25/44/07/274254407.db2.gz YQFXQFNEYLNEMA-UONOGXRCSA-N 1 0 300.406 2.390 50 0 DEAARO CCC[NH+]1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000020661336 276012768 /nfs/dbraw/zinc/01/27/68/276012768.db2.gz QSMILYGBCDRGFC-UHFFFAOYSA-N 1 0 318.446 2.262 50 0 DEAARO C[N@@H+]1CCCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 ZINC000013323130 277049853 /nfs/dbraw/zinc/04/98/53/277049853.db2.gz YVIIQUHZDPCBNJ-UHFFFAOYSA-N 1 0 320.776 2.224 50 0 DEAARO CC(C)c1cc(NCC2([NH+](C)C)CCOCC2)n2nccc2n1 ZINC000072166502 278020316 /nfs/dbraw/zinc/02/03/16/278020316.db2.gz GZMFUVOPBOIDLI-UHFFFAOYSA-N 1 0 317.437 2.375 50 0 DEAARO Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000097378409 278713809 /nfs/dbraw/zinc/71/38/09/278713809.db2.gz MKLGUBGRCYAVFL-NSHDSACASA-N 1 0 308.378 2.306 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](c1cccs1)N(C)C)CN2 ZINC000058428889 278762535 /nfs/dbraw/zinc/76/25/35/278762535.db2.gz KAVBEXNQIITJIV-UONOGXRCSA-N 1 0 319.478 2.187 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000058405015 279197111 /nfs/dbraw/zinc/19/71/11/279197111.db2.gz XKHDMHKAUHDSOB-AWEZNQCLSA-N 1 0 321.494 2.249 50 0 DEAARO C[C@H](CNC(=O)[C@@H](C)n1ccnc1)[N@H+](C)Cc1ccccc1 ZINC000078916727 279340228 /nfs/dbraw/zinc/34/02/28/279340228.db2.gz HDVKYKZAXHREFJ-HUUCEWRRSA-N 1 0 300.406 2.081 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cccn2C)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000225426962 280390622 /nfs/dbraw/zinc/39/06/22/280390622.db2.gz ILZSCCLEMIFZQG-CABCVRRESA-N 1 0 321.465 2.111 50 0 DEAARO CC[C@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000246308966 281074887 /nfs/dbraw/zinc/07/48/87/281074887.db2.gz MDRJNUURNUJDFF-LSDHHAIUSA-N 1 0 302.484 2.170 50 0 DEAARO Cc1ccccc1[C@H]1CCCN(c2nc(N)nc3c2CC[NH2+]C3)C1 ZINC000071708163 281389715 /nfs/dbraw/zinc/38/97/15/281389715.db2.gz PKNNPNYHRPOPAS-AWEZNQCLSA-N 1 0 323.444 2.397 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000230207784 288912109 /nfs/dbraw/zinc/91/21/09/288912109.db2.gz JRWACZMLBCDHRU-IAOVAPTHSA-N 1 0 324.852 2.480 50 0 DEAARO C[C@H](C(=O)NCC(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178686841 289349005 /nfs/dbraw/zinc/34/90/05/289349005.db2.gz CFQUJFXTVUSWNH-GFCCVEGCSA-N 1 0 321.387 2.004 50 0 DEAARO NC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052710237 295077729 /nfs/dbraw/zinc/07/77/29/295077729.db2.gz HMGQEVPWWCQOBY-IMJJTQAJSA-N 1 0 315.417 2.435 50 0 DEAARO [NH3+]C1CCC(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000055143911 295212996 /nfs/dbraw/zinc/21/29/96/295212996.db2.gz XDTVTYWXWGHRRX-UHFFFAOYSA-N 1 0 318.236 2.493 50 0 DEAARO COc1ccc(-c2cnc3[nH]ccc3c2)cc1C[C@H](C[NH3+])CO ZINC000935616191 782066699 /nfs/dbraw/zinc/06/66/99/782066699.db2.gz CAGRATVGVMRUPN-GFCCVEGCSA-N 1 0 311.385 2.300 50 0 DEAARO O=S1(=O)CCC(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000193052068 304784838 /nfs/dbraw/zinc/78/48/38/304784838.db2.gz BUONHOMYMXOCCC-MRXNPFEDSA-N 1 0 308.447 2.348 50 0 DEAARO Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000166030627 325712838 /nfs/dbraw/zinc/71/28/38/325712838.db2.gz XQLQXAFOASGGQK-OAHLLOKOSA-N 1 0 316.380 2.078 50 0 DEAARO O=C(Nc1ccc(F)cc1F)c1nnc([C@@H]2CCC[NH2+]2)s1 ZINC000047218836 331723727 /nfs/dbraw/zinc/72/37/27/331723727.db2.gz YITBIFMOWJZUBQ-JTQLQIEISA-N 1 0 310.329 2.493 50 0 DEAARO CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000534582456 334289581 /nfs/dbraw/zinc/28/95/81/334289581.db2.gz JNUBSRIPCQUNDP-CYBMUJFWSA-N 1 0 300.402 2.277 50 0 DEAARO CCCS(=O)(=O)NC[C@@H](C)[NH2+]C1(c2cccc(C)c2)CC1 ZINC000534583232 334289909 /nfs/dbraw/zinc/28/99/09/334289909.db2.gz UDPGMMYYZGLLDG-CQSZACIVSA-N 1 0 310.463 2.292 50 0 DEAARO CC[N@@H+]1C[C@H](NC(=O)c2csc3ccccc23)[C@@H](OC)C1 ZINC000534587247 334292434 /nfs/dbraw/zinc/29/24/34/334292434.db2.gz KZVXYGMWBZIMPX-KBPBESRZSA-N 1 0 304.415 2.350 50 0 DEAARO CC[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000534645927 334307289 /nfs/dbraw/zinc/30/72/89/334307289.db2.gz QTYCWKAWJUACIJ-GFCCVEGCSA-N 1 0 321.450 2.173 50 0 DEAARO CCC[C@@H](CNC(=O)N1CC(Oc2ccc(C)cc2)C1)[NH+](C)C ZINC000534640841 334311213 /nfs/dbraw/zinc/31/12/13/334311213.db2.gz SWTZTKQBHPJPHK-HNNXBMFYSA-N 1 0 319.449 2.498 50 0 DEAARO Cc1cc2nc(CN(C)C(=O)C[C@@H]3CC[NH2+]C3)[nH]c2cc1C ZINC000299789460 500659977 /nfs/dbraw/zinc/65/99/77/500659977.db2.gz XXCWLZMZUQALBK-ZDUSSCGKSA-N 1 0 300.406 2.138 50 0 DEAARO Cc1csc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000426505836 534820441 /nfs/dbraw/zinc/82/04/41/534820441.db2.gz OJFPZBWWKQGVRS-SNVBAGLBSA-N 1 0 309.464 2.339 50 0 DEAARO CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299739814 527744403 /nfs/dbraw/zinc/74/44/03/527744403.db2.gz RONUUZTWIKMXCH-ABAIWWIYSA-N 1 0 312.360 2.175 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C12CCC2 ZINC000245861493 527952407 /nfs/dbraw/zinc/95/24/07/527952407.db2.gz HXHHZGOGGIOMGF-SDDRHHMPSA-N 1 0 320.355 2.087 50 0 DEAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000299777261 528978928 /nfs/dbraw/zinc/97/89/28/528978928.db2.gz KTFQMPNUBZDMGS-UHFFFAOYSA-N 1 0 315.417 2.024 50 0 DEAARO CCN(C(=O)c1ccc(C)cc1OCCC[NH3+])C1CCOCC1 ZINC000426635525 529080985 /nfs/dbraw/zinc/08/09/85/529080985.db2.gz SJTAKXOCYZXKPP-UHFFFAOYSA-N 1 0 320.433 2.364 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000299739386 563938627 /nfs/dbraw/zinc/93/86/27/563938627.db2.gz NUYXXDYCQKYDIR-CFVMTHIKSA-N 1 0 308.809 2.367 50 0 DEAARO O=C1C[C@H]([NH2+]C2CCOCC2)CN1CCc1cccc(Cl)c1 ZINC000011770155 635760021 /nfs/dbraw/zinc/76/00/21/635760021.db2.gz ZJQQDXOCHVSENZ-INIZCTEOSA-N 1 0 322.836 2.252 50 0 DEAARO Cc1cc([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@@H+]24)cc(C)c1O ZINC000012072735 635982418 /nfs/dbraw/zinc/98/24/18/635982418.db2.gz PERUSNGDOJZJCR-MPGHIAIKSA-N 1 0 300.402 2.377 50 0 DEAARO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 ZINC000012593176 636064619 /nfs/dbraw/zinc/06/46/19/636064619.db2.gz LRXHLEOLDFKPDG-HNNXBMFYSA-N 1 0 318.417 2.210 50 0 DEAARO O=CN1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000862418919 686297521 /nfs/dbraw/zinc/29/75/21/686297521.db2.gz STAYRIHCEAQVDT-UHFFFAOYSA-N 1 0 300.324 2.412 50 0 DEAARO COc1ccc2nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c(C)cc2c1 ZINC000091622795 719370132 /nfs/dbraw/zinc/37/01/32/719370132.db2.gz SNQMFKWYMUYNLH-DLBZAZTESA-N 1 0 313.401 2.071 50 0 DEAARO c1nc(C2CC[NH+](C3CCOCC3)CC2)n(-c2cccnc2)n1 ZINC000827604341 783677354 /nfs/dbraw/zinc/67/73/54/783677354.db2.gz OVJGMKYHZLGFRE-UHFFFAOYSA-N 1 0 313.405 2.021 50 0 DEAARO O=C(C[NH+]1CCCCCC1)NC[C@H](c1ccco1)N1CCCC1 ZINC000827832314 783693242 /nfs/dbraw/zinc/69/32/42/783693242.db2.gz XYIFKEQLRJAKSF-MRXNPFEDSA-N 1 0 319.449 2.409 50 0 DEAARO CC(C)(C)C[N@@H+]1CCN(C2CCSCC2)C[C@H]1CCO ZINC000828747093 783848949 /nfs/dbraw/zinc/84/89/49/783848949.db2.gz DCRLGOTZELEMCB-OAHLLOKOSA-N 1 0 300.512 2.297 50 0 DEAARO CCCNC(=O)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581776477 784775329 /nfs/dbraw/zinc/77/53/29/784775329.db2.gz TYJLHHRCVIAUQG-UHFFFAOYSA-N 1 0 302.422 2.097 50 0 DEAARO CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000581812751 784783415 /nfs/dbraw/zinc/78/34/15/784783415.db2.gz RZJFRBZBGRSHCM-DLBZAZTESA-N 1 0 320.433 2.434 50 0 DEAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2cn[nH]c2)C1 ZINC000584907051 789633826 /nfs/dbraw/zinc/63/38/26/789633826.db2.gz BKMRZPUUSRPRMH-HOCLYGCPSA-N 1 0 306.454 2.359 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc(F)c(F)c(F)c1F ZINC000585113784 789700124 /nfs/dbraw/zinc/70/01/24/789700124.db2.gz MCBWJCGEUFBSFS-MRVPVSSYSA-N 1 0 304.287 2.457 50 0 DEAARO Oc1cccc2sc(C[NH2+][C@H]3CCc4ncnn4C3)cc21 ZINC000952850500 792777779 /nfs/dbraw/zinc/77/77/79/792777779.db2.gz XJBUUHKLHLSHRS-JTQLQIEISA-N 1 0 300.387 2.303 50 0 DEAARO Cc1cc(C)cc(C(=O)N[C@@H]2CCOC[C@@H]2[NH+]2CCCC2)c1 ZINC000952876884 792792121 /nfs/dbraw/zinc/79/21/21/792792121.db2.gz HFEQLENTYFEHRF-SJORKVTESA-N 1 0 302.418 2.287 50 0 DEAARO Cc1ccoc1C(=O)NCCC[NH2+]C1CCCC(O)CCC1 ZINC000952879103 792793459 /nfs/dbraw/zinc/79/34/59/792793459.db2.gz GIGMEEPKQOFNMB-UHFFFAOYSA-N 1 0 308.422 2.381 50 0 DEAARO Cc1nnc(CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)s1 ZINC000952974175 792836004 /nfs/dbraw/zinc/83/60/04/792836004.db2.gz YQMSOFMYUBTROE-UHFFFAOYSA-N 1 0 320.418 2.008 50 0 DEAARO CN1C(=O)CCC[C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000952994664 792856553 /nfs/dbraw/zinc/85/65/53/792856553.db2.gz SRGFIZHTKGNMKJ-CQSZACIVSA-N 1 0 314.389 2.482 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNc2nnc(C)c3ccccc32)C1 ZINC001529099519 1070853764 /nfs/dbraw/zinc/85/37/64/1070853764.db2.gz ZVOYOIVKHLMVNJ-AWEZNQCLSA-N 1 0 300.406 2.318 50 0 DEAARO C[C@H](CN(C)Cc1nnc(-c2cccnc2)o1)C[NH+]1CCCC1 ZINC001529160043 1070891249 /nfs/dbraw/zinc/89/12/49/1070891249.db2.gz ZULMHBUJFRROQT-CQSZACIVSA-N 1 0 315.421 2.295 50 0 DEAARO CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Nc2ccc(OC)cc2)C1 ZINC001506398083 1061935163 /nfs/dbraw/zinc/93/51/63/1061935163.db2.gz JTTCUBPDUVGDQT-OAHLLOKOSA-N 1 0 319.449 2.486 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+]C2(C(N)=O)CCCC2)CC1 ZINC001506398727 1061940056 /nfs/dbraw/zinc/94/00/56/1061940056.db2.gz FQLUJRIGHAQCOC-UHFFFAOYSA-N 1 0 319.424 2.491 50 0 DEAARO Cc1cc(C)n(C2C[NH+]([C@@H]3CCC(=O)N(CC4CC4)CC3)C2)n1 ZINC001506405057 1061947288 /nfs/dbraw/zinc/94/72/88/1061947288.db2.gz BTLNTJLKGJJFEP-MRXNPFEDSA-N 1 0 316.449 2.148 50 0 DEAARO Cc1cccc(N2CCC([NH2+]CCc3nncn3C)CC2)c1C ZINC001506421554 1061963616 /nfs/dbraw/zinc/96/36/16/1061963616.db2.gz INJCKBICXBFGPU-UHFFFAOYSA-N 1 0 313.449 2.233 50 0 DEAARO Cc1nc2ccccc2nc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC000097594773 282081742 /nfs/dbraw/zinc/08/17/42/282081742.db2.gz KTVPMSPDTKXMOD-AWEZNQCLSA-N 1 0 313.401 2.054 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(F)cc21 ZINC000095472596 185373029 /nfs/dbraw/zinc/37/30/29/185373029.db2.gz AREKDMPLZWKITQ-OAHLLOKOSA-N 1 0 303.381 2.381 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000095502232 185375188 /nfs/dbraw/zinc/37/51/88/185375188.db2.gz CUWVHMLQFZJTHL-QGZVFWFLSA-N 1 0 322.424 2.487 50 0 DEAARO CC(C)[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH+](C)C ZINC000095505111 185375364 /nfs/dbraw/zinc/37/53/64/185375364.db2.gz JXBBCRKAIOWIHK-DLBZAZTESA-N 1 0 324.490 2.108 50 0 DEAARO O=C(C1CCC([NH2+]Cc2ccccn2)CC1)N1CCSCC1 ZINC000078978661 185138893 /nfs/dbraw/zinc/13/88/93/185138893.db2.gz UBTIQRINIINUMZ-UHFFFAOYSA-N 1 0 319.474 2.305 50 0 DEAARO O=C1CNC(=O)N1CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000328591708 231234743 /nfs/dbraw/zinc/23/47/43/231234743.db2.gz WGVSCTPTVAKUFV-UHFFFAOYSA-N 1 0 317.364 2.061 50 0 DEAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C(N)=O)o1)CC2 ZINC000090179688 185285451 /nfs/dbraw/zinc/28/54/51/185285451.db2.gz LONBVDVPTRYJLS-CYBMUJFWSA-N 1 0 300.358 2.034 50 0 DEAARO COc1ccccc1OC1CN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000082107782 192356259 /nfs/dbraw/zinc/35/62/59/192356259.db2.gz VXMYZHLDWVHLPH-UHFFFAOYSA-N 1 0 318.417 2.161 50 0 DEAARO Cc1nc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)co1 ZINC000082126032 192359632 /nfs/dbraw/zinc/35/96/32/192359632.db2.gz UUWNCECIHVHRPT-UHFFFAOYSA-N 1 0 312.373 2.064 50 0 DEAARO CC(C)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000082126391 192359408 /nfs/dbraw/zinc/35/94/08/192359408.db2.gz KISXWLYHURCLJG-UHFFFAOYSA-N 1 0 300.362 2.155 50 0 DEAARO O=C(NCC1(O)CCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000095399579 185353730 /nfs/dbraw/zinc/35/37/30/185353730.db2.gz XTANMNAUGQGUND-MRXNPFEDSA-N 1 0 317.433 2.038 50 0 DEAARO CC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1)[NH+](C)C ZINC000095420511 185360213 /nfs/dbraw/zinc/36/02/13/185360213.db2.gz IAGMXUWFECEEMG-CYBMUJFWSA-N 1 0 311.813 2.321 50 0 DEAARO C[C@H]([NH2+]C1CCOCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000095420492 185360231 /nfs/dbraw/zinc/36/02/31/185360231.db2.gz RWVDXSFQSWCGCB-ZDUSSCGKSA-N 1 0 318.417 2.174 50 0 DEAARO C[NH+](C)Cc1ccccc1CN1C(=O)N[C@@H](C(C)(C)C)C1=O ZINC000095464569 185371603 /nfs/dbraw/zinc/37/16/03/185371603.db2.gz GWXKBXIKOFCVGK-CQSZACIVSA-N 1 0 303.406 2.215 50 0 DEAARO COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CCSC1)CC2 ZINC000097016649 185397566 /nfs/dbraw/zinc/39/75/66/185397566.db2.gz XFLKIOCDSUYOSH-HNNXBMFYSA-N 1 0 322.474 2.157 50 0 DEAARO Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000097019021 185398005 /nfs/dbraw/zinc/39/80/05/185398005.db2.gz GZKOQKVSIJLHPC-DLBZAZTESA-N 1 0 317.433 2.494 50 0 DEAARO C[NH2+][C@H]1CCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 ZINC000097019471 185398008 /nfs/dbraw/zinc/39/80/08/185398008.db2.gz XKTKSKUWONRWDU-AWEZNQCLSA-N 1 0 324.428 2.103 50 0 DEAARO CCc1cnc(CN(C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000083231662 192366168 /nfs/dbraw/zinc/36/61/68/192366168.db2.gz IXQPZZRQPHAHBT-CYBMUJFWSA-N 1 0 322.478 2.331 50 0 DEAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000084317553 539394453 /nfs/dbraw/zinc/39/44/53/539394453.db2.gz 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HSNIZBDTYYAXLY-UHFFFAOYSA-N 1 0 316.186 2.039 50 0 DEAARO CCC[NH+]1CCN(CC(=O)Nc2ccccc2OCC)CC1 ZINC000020595193 182235495 /nfs/dbraw/zinc/23/54/95/182235495.db2.gz YFLUJNDXKPSLDX-UHFFFAOYSA-N 1 0 305.422 2.051 50 0 DEAARO CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCC[NH+]1CCCC1 ZINC000021776462 182288511 /nfs/dbraw/zinc/28/85/11/182288511.db2.gz MZONBRBIGLFXCI-SFHVURJKSA-N 1 0 323.481 2.016 50 0 DEAARO O=C(/C=C/c1ccco1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022375272 182320314 /nfs/dbraw/zinc/32/03/14/182320314.db2.gz VROREPPDIXALGO-VOTSOKGWSA-N 1 0 318.417 2.444 50 0 DEAARO CC(C)CC(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022794627 182335079 /nfs/dbraw/zinc/33/50/79/182335079.db2.gz KNHJDGFDAUHWIJ-KRWDZBQOSA-N 1 0 321.440 2.277 50 0 DEAARO COc1cc(CNC2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000022820434 182335963 /nfs/dbraw/zinc/33/59/63/182335963.db2.gz QSRUWFAJPUUNNT-UHFFFAOYSA-N 1 0 318.417 2.183 50 0 DEAARO CC(C)c1cccc(OCCOCCN2CC[NH+](C)CC2)c1 ZINC000022916959 182341468 /nfs/dbraw/zinc/34/14/68/182341468.db2.gz AWZDDHOSLAFWLR-UHFFFAOYSA-N 1 0 306.450 2.453 50 0 DEAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000027970939 182500794 /nfs/dbraw/zinc/50/07/94/182500794.db2.gz FWLNFXBIIYJERP-UHFFFAOYSA-N 1 0 314.426 2.239 50 0 DEAARO COc1cccc(CC(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000040107613 183036332 /nfs/dbraw/zinc/03/63/32/183036332.db2.gz MBHKZYPTJOZHTF-HUUCEWRRSA-N 1 0 304.434 2.332 50 0 DEAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)C(C)(C)C)CC1 ZINC000040515585 183088807 /nfs/dbraw/zinc/08/88/07/183088807.db2.gz DBBXTSYOKYWABH-UHFFFAOYSA-N 1 0 303.450 2.096 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000040594162 183106842 /nfs/dbraw/zinc/10/68/42/183106842.db2.gz WGMOFTLRRNTIFR-JTQLQIEISA-N 1 0 301.312 2.172 50 0 DEAARO CC(=O)Nc1nc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000042723293 183302127 /nfs/dbraw/zinc/30/21/27/183302127.db2.gz HBKNILIQPXMZLM-NSHDSACASA-N 1 0 324.450 2.096 50 0 DEAARO Ic1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000042773922 183307245 /nfs/dbraw/zinc/30/72/45/183307245.db2.gz FRDZEUKJVXEXBD-NSHDSACASA-N 1 0 317.170 2.417 50 0 DEAARO Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n(C)n1 ZINC000043435031 183363382 /nfs/dbraw/zinc/36/33/82/183363382.db2.gz UXWDYXDREPUKOY-AWEZNQCLSA-N 1 0 319.384 2.292 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000043577694 183372389 /nfs/dbraw/zinc/37/23/89/183372389.db2.gz VCNKZXFYJNIVEH-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO C[NH+]1CCN(c2ccnc(-c3noc(-c4ccco4)n3)c2)CC1 ZINC000273933956 211187811 /nfs/dbraw/zinc/18/78/11/211187811.db2.gz XITKIJPHPXJUAF-UHFFFAOYSA-N 1 0 311.345 2.143 50 0 DEAARO CCC[NH+]1CCC(CNS(=O)(=O)c2cccs2)CC1 ZINC000058140818 184080228 /nfs/dbraw/zinc/08/02/28/184080228.db2.gz UVLZEUUQWIBQMI-UHFFFAOYSA-N 1 0 302.465 2.148 50 0 DEAARO O=C(Cc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058148474 184080872 /nfs/dbraw/zinc/08/08/72/184080872.db2.gz DBSYXTCUSUJWMA-CYBMUJFWSA-N 1 0 323.234 2.345 50 0 DEAARO COCC[N@H+](C)C[C@@H]1CCCN1C(=O)NCc1ccccc1F ZINC000058344257 184107425 /nfs/dbraw/zinc/10/74/25/184107425.db2.gz XOHWKOIIWUCNOW-HNNXBMFYSA-N 1 0 323.412 2.078 50 0 DEAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cnccn1 ZINC000058310924 184103661 /nfs/dbraw/zinc/10/36/61/184103661.db2.gz JKWGDRRNBPMKSF-UHFFFAOYSA-N 1 0 318.808 2.334 50 0 DEAARO Cc1cc(C)nc(SCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000058393604 184112585 /nfs/dbraw/zinc/11/25/85/184112585.db2.gz UUNVUAFTUZVAGQ-AWEZNQCLSA-N 1 0 322.478 2.032 50 0 DEAARO CCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063399146 184281130 /nfs/dbraw/zinc/28/11/30/184281130.db2.gz AZCSFIPGAJWVOV-UHFFFAOYSA-N 1 0 305.422 2.226 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000063852113 184289843 /nfs/dbraw/zinc/28/98/43/184289843.db2.gz IOYKDRPQUVUOCA-ZDUSSCGKSA-N 1 0 306.406 2.166 50 0 DEAARO O=C(CC[NH2+]C[C@@H]1OCCc2ccccc21)Nc1cccnc1 ZINC000065366159 184329436 /nfs/dbraw/zinc/32/94/36/184329436.db2.gz NHMYHEKNPWVBEL-KRWDZBQOSA-N 1 0 311.385 2.314 50 0 DEAARO O=C(NCC(F)F)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065371540 184329699 /nfs/dbraw/zinc/32/96/99/184329699.db2.gz FKYAPXYDIMEUOP-UHFFFAOYSA-N 1 0 318.751 2.222 50 0 DEAARO Cc1nc(-c2ccc3c(c2)nnn3C)n(-c2cc[nH+]c(C)c2)n1 ZINC000065383058 184332674 /nfs/dbraw/zinc/33/26/74/184332674.db2.gz NMSUZASGJLUELD-UHFFFAOYSA-N 1 0 305.345 2.228 50 0 DEAARO C[C@@H](Cn1ccc2ccccc21)[NH2+]CC(=O)Nc1cnccn1 ZINC000065409397 184339893 /nfs/dbraw/zinc/33/98/93/184339893.db2.gz ADZBUEJSOQECJE-ZDUSSCGKSA-N 1 0 309.373 2.048 50 0 DEAARO CC(C)Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)no1 ZINC000065433002 184343859 /nfs/dbraw/zinc/34/38/59/184343859.db2.gz WCGIEHMELYHMGX-HNNXBMFYSA-N 1 0 311.451 2.040 50 0 DEAARO Cc1ccc(-n2cc(C[N@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)cn2)cc1C ZINC000065434094 184344240 /nfs/dbraw/zinc/34/42/40/184344240.db2.gz LAZHUKZOENDAJH-AEFFLSMTSA-N 1 0 324.428 2.342 50 0 DEAARO COc1ccc(C[NH2+]CCC(=O)NCc2ccco2)c(F)c1F ZINC000065490662 184353467 /nfs/dbraw/zinc/35/34/67/184353467.db2.gz KNUUILUBOXHZOV-UHFFFAOYSA-N 1 0 324.327 2.363 50 0 DEAARO CC[N@H+](C)CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000065403893 184336931 /nfs/dbraw/zinc/33/69/31/184336931.db2.gz YPCNHVKTKOKXKR-UHFFFAOYSA-N 1 0 312.417 2.431 50 0 DEAARO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)COc1ccccc1 ZINC000065575386 184367618 /nfs/dbraw/zinc/36/76/18/184367618.db2.gz NPKPVCKAZXNKAX-INIZCTEOSA-N 1 0 324.384 2.001 50 0 DEAARO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)N1CCc2ccccc2C1 ZINC000065496561 184354735 /nfs/dbraw/zinc/35/47/35/184354735.db2.gz ZGOMUWXQAGIIQQ-UHFFFAOYSA-N 1 0 324.428 2.174 50 0 DEAARO C[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC[NH2+]1 ZINC000067934374 184491363 /nfs/dbraw/zinc/49/13/63/184491363.db2.gz ZXVQBSCWUQLBHK-AWEZNQCLSA-N 1 0 307.401 2.190 50 0 DEAARO c1cnn(-c2cncc(NCCC[NH2+]C3CCCCC3)n2)c1 ZINC000069161061 184502224 /nfs/dbraw/zinc/50/22/24/184502224.db2.gz WHABKRYIXOXYEV-UHFFFAOYSA-N 1 0 300.410 2.387 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000069321989 184506932 /nfs/dbraw/zinc/50/69/32/184506932.db2.gz XQQPUKBVJSRCQE-ZDUSSCGKSA-N 1 0 320.437 2.240 50 0 DEAARO COCC[N@@H+]1CCN(C[C@@H](O)c2ccccc2Cl)C[C@H]1C ZINC000241371363 532965668 /nfs/dbraw/zinc/96/56/68/532965668.db2.gz MMZHZFBKWFIVQB-CZUORRHYSA-N 1 0 312.841 2.026 50 0 DEAARO CS[C@@H]1CN(c2cncc(Br)c2)C[C@@H]1[NH+](C)C ZINC000271654620 209098395 /nfs/dbraw/zinc/09/83/95/209098395.db2.gz SWUOPPAJHWCUDQ-NWDGAFQWSA-N 1 0 316.268 2.326 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H]([NH3+])C[C@H]3C)nc21 ZINC000237389006 257238564 /nfs/dbraw/zinc/23/85/64/257238564.db2.gz NRDOFHQVTMYKKP-CHWSQXEVSA-N 1 0 300.406 2.142 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228342400 257239603 /nfs/dbraw/zinc/23/96/03/257239603.db2.gz KOCMLGRMDCPZRR-ZYHUDNBSSA-N 1 0 302.827 2.149 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228342387 257239680 /nfs/dbraw/zinc/23/96/80/257239680.db2.gz KOCMLGRMDCPZRR-PWSUYJOCSA-N 1 0 302.827 2.149 50 0 DEAARO Cn1cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1 ZINC000083455957 257240476 /nfs/dbraw/zinc/24/04/76/257240476.db2.gz SRZMGVFQVYQFNJ-MRXNPFEDSA-N 1 0 308.426 2.203 50 0 DEAARO C[NH+](C)CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O ZINC000020218594 257268825 /nfs/dbraw/zinc/26/88/25/257268825.db2.gz GZIGRIZJTRHIAP-UHFFFAOYSA-N 1 0 306.793 2.360 50 0 DEAARO COc1cccc(N2CCC([NH2+]Cc3c[nH]nc3C)CC2)c1 ZINC000071841237 184865131 /nfs/dbraw/zinc/86/51/31/184865131.db2.gz DQUIERHRUUOQCM-UHFFFAOYSA-N 1 0 300.406 2.485 50 0 DEAARO Cc1ccc(-n2ccnc2)c(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000071905716 184898291 /nfs/dbraw/zinc/89/82/91/184898291.db2.gz NHNASZPYCCACPA-UHFFFAOYSA-N 1 0 324.428 2.349 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCSC1 ZINC000685943802 542768895 /nfs/dbraw/zinc/76/88/95/542768895.db2.gz WXIBGXQORKHYDG-MWDXBVQZSA-N 1 0 316.470 2.376 50 0 DEAARO Cc1noc([C@]23CCC[C@H]2C[N@H+](Cc2nc(C)ccc2O)C3)n1 ZINC000685941617 542769169 /nfs/dbraw/zinc/76/91/69/542769169.db2.gz ZSGUIUWDBHKMII-GUYCJALGSA-N 1 0 314.389 2.341 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([NH2+]CCn3cccn3)[C@H]21 ZINC000685940536 542769235 /nfs/dbraw/zinc/76/92/35/542769235.db2.gz NMZKKVUJNMFDNY-ZNMIVQPWSA-N 1 0 320.437 2.261 50 0 DEAARO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)no1 ZINC000000093950 134428138 /nfs/dbraw/zinc/42/81/38/134428138.db2.gz DSVNNXOPRHVUHT-UHFFFAOYSA-N 1 0 314.389 2.134 50 0 DEAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCCCCC1 ZINC000008119207 401748615 /nfs/dbraw/zinc/74/86/15/401748615.db2.gz NMVSFVYDNXHSAR-NSHDSACASA-N 1 0 302.378 2.059 50 0 DEAARO C[C@H](NCC(C)(C)C[NH+](C)C)C(=O)NCCc1ccc(F)cc1 ZINC000007015259 401735122 /nfs/dbraw/zinc/73/51/22/401735122.db2.gz IGYUBPDFDWHIHY-AWEZNQCLSA-N 1 0 323.456 2.050 50 0 DEAARO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000007709720 401743242 /nfs/dbraw/zinc/74/32/42/401743242.db2.gz PIQWOOXTBYGPLM-UHFFFAOYSA-N 1 0 316.854 2.494 50 0 DEAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCCCC2)cc1 ZINC000007780753 401744156 /nfs/dbraw/zinc/74/41/56/401744156.db2.gz NPPKNXPTBJIZTD-HNNXBMFYSA-N 1 0 317.433 2.266 50 0 DEAARO COc1ccc(CCNC(=O)C[NH+]2CCC(C)CC2)cc1OC ZINC000000038258 401687483 /nfs/dbraw/zinc/68/74/83/401687483.db2.gz GXJKLFOYUYFMNO-UHFFFAOYSA-N 1 0 320.433 2.094 50 0 DEAARO CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000000075437 401687748 /nfs/dbraw/zinc/68/77/48/401687748.db2.gz RWWBHNXXLPRNHS-UHFFFAOYSA-N 1 0 301.312 2.416 50 0 DEAARO c1ccc2oc(C[NH2+]C[C@@H]3CCCN3c3cccnn3)nc2c1 ZINC000071859856 401688817 /nfs/dbraw/zinc/68/88/17/401688817.db2.gz OZKNBQCMJLGMIM-ZDUSSCGKSA-N 1 0 309.373 2.376 50 0 DEAARO Cc1cnn(CC[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000071872113 401689852 /nfs/dbraw/zinc/68/98/52/401689852.db2.gz DQDMTHHFWDMVDU-AWEZNQCLSA-N 1 0 324.222 2.277 50 0 DEAARO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2Cn2cccn2)no1 ZINC000071875215 401690465 /nfs/dbraw/zinc/69/04/65/401690465.db2.gz CXIXAPYGGZIIND-AWEZNQCLSA-N 1 0 317.393 2.063 50 0 DEAARO O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCC1 ZINC000000212478 401690604 /nfs/dbraw/zinc/69/06/04/401690604.db2.gz CSJCIXFJSDWFOE-HNNXBMFYSA-N 1 0 316.401 2.250 50 0 DEAARO CCN1CCO[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000071880851 401691631 /nfs/dbraw/zinc/69/16/31/401691631.db2.gz VAVIAVXWKNQIJK-NSHDSACASA-N 1 0 319.268 2.321 50 0 DEAARO COc1cccc(SCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000071888544 401692853 /nfs/dbraw/zinc/69/28/53/401692853.db2.gz RJSOTIRQVPYXNK-AWEZNQCLSA-N 1 0 320.458 2.388 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000072253050 401704169 /nfs/dbraw/zinc/70/41/69/401704169.db2.gz QGFYJPWLHFLJJD-INIZCTEOSA-N 1 0 314.433 2.275 50 0 DEAARO CCn1ccnc1CN1CC[N@H+](CC2(O)CCCCC2)C[C@@H]1C ZINC000072253914 401704205 /nfs/dbraw/zinc/70/42/05/401704205.db2.gz ZTJBRMNASADPLE-INIZCTEOSA-N 1 0 320.481 2.104 50 0 DEAARO Cc1nn(C)c(C)c1/C=C/C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000072273120 401705487 /nfs/dbraw/zinc/70/54/87/401705487.db2.gz MSQMUDGPZLRIIK-MDZDMXLPSA-N 1 0 318.465 2.431 50 0 DEAARO O=C(Nc1ccccc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000072291880 401706978 /nfs/dbraw/zinc/70/69/78/401706978.db2.gz NDIWWNQKLWQXSC-UHFFFAOYSA-N 1 0 303.406 2.405 50 0 DEAARO O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@H]1CC[NH2+]C1 ZINC000126800979 401708705 /nfs/dbraw/zinc/70/87/05/401708705.db2.gz NSICGKTVGUPUQW-GFCCVEGCSA-N 1 0 302.349 2.496 50 0 DEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(N(C)C)nc1 ZINC000001756824 401710407 /nfs/dbraw/zinc/71/04/07/401710407.db2.gz CACKRLWYUJZEEL-AWEZNQCLSA-N 1 0 306.454 2.388 50 0 DEAARO CCOc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1OCC ZINC000002845314 401719152 /nfs/dbraw/zinc/71/91/52/401719152.db2.gz SZONJLXWHGAUBS-CYBMUJFWSA-N 1 0 308.422 2.412 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000075127275 401750616 /nfs/dbraw/zinc/75/06/16/401750616.db2.gz XLKGLLSIDLWQKR-QGZVFWFLSA-N 1 0 312.417 2.422 50 0 DEAARO Cc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1C ZINC000008971010 401758006 /nfs/dbraw/zinc/75/80/06/401758006.db2.gz PMEHWZFCKXIFSV-UHFFFAOYSA-N 1 0 324.428 2.304 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000075489667 401760347 /nfs/dbraw/zinc/76/03/47/401760347.db2.gz ABVBCUDIMQFNJW-QGZVFWFLSA-N 1 0 316.445 2.335 50 0 DEAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cccnc2)nc1 ZINC000075502054 401761243 /nfs/dbraw/zinc/76/12/43/401761243.db2.gz BUBAVNFEKYFOAL-UHFFFAOYSA-N 1 0 310.401 2.359 50 0 DEAARO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(Br)c1)C(N)=O ZINC000075610828 401764011 /nfs/dbraw/zinc/76/40/11/401764011.db2.gz QNEVQVOCYNOCPX-KCJUWKMLSA-N 1 0 315.211 2.372 50 0 DEAARO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CCOC1 ZINC000075603806 401764258 /nfs/dbraw/zinc/76/42/58/401764258.db2.gz KOENWAFJYQYRER-CABCVRRESA-N 1 0 310.463 2.090 50 0 DEAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000010312660 401769265 /nfs/dbraw/zinc/76/92/65/401769265.db2.gz VYWFJPCAPRBKLO-UHFFFAOYSA-N 1 0 311.385 2.230 50 0 DEAARO COC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863408 401771061 /nfs/dbraw/zinc/77/10/61/401771061.db2.gz MMAYZFQMOKUUGN-CJNGLKHVSA-N 1 0 312.841 2.026 50 0 DEAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000011852161 401777562 /nfs/dbraw/zinc/77/75/62/401777562.db2.gz IKWRGCJITJVXSP-UKRRQHHQSA-N 1 0 307.390 2.025 50 0 DEAARO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000076041657 401778404 /nfs/dbraw/zinc/77/84/04/401778404.db2.gz ABNXGBJVRDUKIX-DLBZAZTESA-N 1 0 301.434 2.423 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000076087214 401781883 /nfs/dbraw/zinc/78/18/83/401781883.db2.gz MNTOMNNAOXVXSW-OAHLLOKOSA-N 1 0 307.442 2.090 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(C2CCCCCC2)nn1 ZINC000012372741 401784160 /nfs/dbraw/zinc/78/41/60/401784160.db2.gz LCRYPDSELBBSKW-OAHLLOKOSA-N 1 0 319.453 2.340 50 0 DEAARO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCS(N)(=O)=O)o1 ZINC000076145279 401784235 /nfs/dbraw/zinc/78/42/35/401784235.db2.gz VUCASPNHNDVXCU-OCCSQVGLSA-N 1 0 314.451 2.294 50 0 DEAARO CCNC(=O)[C@@H]1CC[N@H+](CCOC)[C@H]1c1ccc(Cl)cc1 ZINC000012404685 401784856 /nfs/dbraw/zinc/78/48/56/401784856.db2.gz DQPBOCTZDDRXQA-CABCVRRESA-N 1 0 310.825 2.486 50 0 DEAARO O[C@@H](COC1CCCC1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012419955 401784866 /nfs/dbraw/zinc/78/48/66/401784866.db2.gz PPTJENSVBHRBEM-QGZVFWFLSA-N 1 0 322.424 2.268 50 0 DEAARO Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000012765358 401790930 /nfs/dbraw/zinc/79/09/30/401790930.db2.gz UAKZKEYSRMMWQZ-UHFFFAOYSA-N 1 0 308.447 2.209 50 0 DEAARO COc1cc(C[N@H+](CCC(N)=O)C2CC2)ccc1OC(F)F ZINC000012934755 401793857 /nfs/dbraw/zinc/79/38/57/401793857.db2.gz SXFFRHUVJOCVTB-UHFFFAOYSA-N 1 0 314.332 2.136 50 0 DEAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2C)CC1 ZINC000015880885 401818874 /nfs/dbraw/zinc/81/88/74/401818874.db2.gz GMUHKLFGTLPMCX-UHFFFAOYSA-N 1 0 322.416 2.266 50 0 DEAARO C[C@@](CO)([NH2+]CC(=O)NCc1cccs1)C1CCCCC1 ZINC000077656198 401823964 /nfs/dbraw/zinc/82/39/64/401823964.db2.gz LSICYESZWYFRJH-INIZCTEOSA-N 1 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HIKJYRFCPODUMP-MRXNPFEDSA-N 1 0 320.433 2.090 50 0 DEAARO CN(CC1CC[NH+](C)CC1)S(=O)(=O)CC1CCCCC1 ZINC000078643770 401859652 /nfs/dbraw/zinc/85/96/52/401859652.db2.gz QZHWZUNLRNSAMZ-UHFFFAOYSA-N 1 0 302.484 2.170 50 0 DEAARO c1cnc(N2CCC([C@H]3CC[N@@H+](C4CCOCC4)C3)CC2)nc1 ZINC000015063332 401815479 /nfs/dbraw/zinc/81/54/79/401815479.db2.gz LLZZBNLFNCSTDW-INIZCTEOSA-N 1 0 316.449 2.194 50 0 DEAARO C[C@@H]1CN=C(N2CC[NH+](CCCCCn3cccn3)CC2)S1 ZINC000079497579 401874634 /nfs/dbraw/zinc/87/46/34/401874634.db2.gz XZQMBPXSIUNWMO-OAHLLOKOSA-N 1 0 321.494 2.162 50 0 DEAARO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000032914292 401886070 /nfs/dbraw/zinc/88/60/70/401886070.db2.gz FJZJPCVRACBLGI-MLGOLLRUSA-N 1 0 315.417 2.105 50 0 DEAARO CN(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000034805121 401893675 /nfs/dbraw/zinc/89/36/75/401893675.db2.gz AXQOSPWMOKMYSB-KRWDZBQOSA-N 1 0 301.434 2.453 50 0 DEAARO CCOc1ccccc1-c1nccn1C[C@@H]1C[N@H+](C)CCN1C ZINC000082091436 401899226 /nfs/dbraw/zinc/89/92/26/401899226.db2.gz ZRLMPCUMBZSZTH-HNNXBMFYSA-N 1 0 314.433 2.195 50 0 DEAARO Cc1ccccc1-c1ncc(CN2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC000082092422 401899757 /nfs/dbraw/zinc/89/97/57/401899757.db2.gz BWLWWABXUIWLHY-HUUCEWRRSA-N 1 0 303.431 2.012 50 0 DEAARO CCNC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082092216 401900036 /nfs/dbraw/zinc/90/00/36/401900036.db2.gz GJBBPCXMCFQQNX-UHFFFAOYSA-N 1 0 319.453 2.241 50 0 DEAARO CN(C(=O)c1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000036282904 401903845 /nfs/dbraw/zinc/90/38/45/401903845.db2.gz LAOGWQQEWPUDHY-UHFFFAOYSA-N 1 0 315.186 2.412 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 ZINC000084748032 401909925 /nfs/dbraw/zinc/90/99/25/401909925.db2.gz RUILVXFVTIBWCH-GFCCVEGCSA-N 1 0 311.223 2.202 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000037200182 401910809 /nfs/dbraw/zinc/91/08/09/401910809.db2.gz XKHTVJNKMBOGHU-BBRMVZONSA-N 1 0 321.417 2.369 50 0 DEAARO CCc1nnsc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000044941702 401951218 /nfs/dbraw/zinc/95/12/18/401951218.db2.gz YYDJTFGNJXAYBY-GFCCVEGCSA-N 1 0 310.467 2.342 50 0 DEAARO COC[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000044948539 401951789 /nfs/dbraw/zinc/95/17/89/401951789.db2.gz MGOTWXBJTNUDQI-UONOGXRCSA-N 1 0 309.410 2.141 50 0 DEAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cnc(N(C)C)s1)CCC2 ZINC000089702142 401958001 /nfs/dbraw/zinc/95/80/01/401958001.db2.gz XEGIVEMDVXIKIC-LBPRGKRZSA-N 1 0 305.451 2.381 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000136487177 401968561 /nfs/dbraw/zinc/96/85/61/401968561.db2.gz YQEXKENXSRXKBA-HIFRSBDPSA-N 1 0 305.422 2.107 50 0 DEAARO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000089894326 401971548 /nfs/dbraw/zinc/97/15/48/401971548.db2.gz NPTPICFHFYUPKI-KKUMJFAQSA-N 1 0 321.421 2.283 50 0 DEAARO COc1cccc(CO[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000046744042 401972338 /nfs/dbraw/zinc/97/23/38/401972338.db2.gz XZHYYTNFJMFZAL-ZDUSSCGKSA-N 1 0 308.422 2.057 50 0 DEAARO CC1(C)CN(C(=O)CC[NH+]2Cc3ccccc3C2)C[C@]1(C)O ZINC000091849342 401998672 /nfs/dbraw/zinc/99/86/72/401998672.db2.gz OQRHKLGYWURIER-SFHVURJKSA-N 1 0 302.418 2.012 50 0 DEAARO CCS[C@H]1CCCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000089275182 401941095 /nfs/dbraw/zinc/94/10/95/401941095.db2.gz AMMDBBNRGYZRIE-AWEZNQCLSA-N 1 0 305.509 2.419 50 0 DEAARO COc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000089314123 401942117 /nfs/dbraw/zinc/94/21/17/401942117.db2.gz YFQLKSZYFCMTRT-ZIAGYGMSSA-N 1 0 309.435 2.205 50 0 DEAARO COc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000089346033 401942725 /nfs/dbraw/zinc/94/27/25/401942725.db2.gz FPIQJPSECAGMTB-UHFFFAOYSA-N 1 0 321.421 2.006 50 0 DEAARO C[N@H+](CCOc1ccccc1)Cc1ccc(OCC(N)=O)cc1 ZINC000089346402 401942792 /nfs/dbraw/zinc/94/27/92/401942792.db2.gz MNNNTZOCUYHOHN-UHFFFAOYSA-N 1 0 314.385 2.062 50 0 DEAARO O=C(CCc1ccncc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393332 401944677 /nfs/dbraw/zinc/94/46/77/401944677.db2.gz DWZOPHFXLSUSDD-UHFFFAOYSA-N 1 0 324.428 2.442 50 0 DEAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](CCCSC)C[C@H]21 ZINC000095352386 402026677 /nfs/dbraw/zinc/02/66/77/402026677.db2.gz UHTJXZWXSZCQIN-NVXWUHKLSA-N 1 0 323.458 2.219 50 0 DEAARO CNc1cc(C)[nH+]c(NC[C@H]2COc3c(cccc3OC)C2)n1 ZINC000095354585 402026928 /nfs/dbraw/zinc/02/69/28/402026928.db2.gz WKUQWBWBJHTNNQ-LBPRGKRZSA-N 1 0 314.389 2.499 50 0 DEAARO CC[NH+]1CCC(CC(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 ZINC000095378118 402029882 /nfs/dbraw/zinc/02/98/82/402029882.db2.gz VHTPXXMZFNFKIK-UHFFFAOYSA-N 1 0 318.417 2.155 50 0 DEAARO Cc1ncsc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000051099944 402031474 /nfs/dbraw/zinc/03/14/74/402031474.db2.gz RMWKDIUJIKPYFD-UHFFFAOYSA-N 1 0 311.451 2.071 50 0 DEAARO CC(C)[N@H+](C)CC(=O)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000095956265 402036623 /nfs/dbraw/zinc/03/66/23/402036623.db2.gz FTFFYNSKPZKWJG-QGZVFWFLSA-N 1 0 320.433 2.201 50 0 DEAARO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)CCC2 ZINC000095969380 402038519 /nfs/dbraw/zinc/03/85/19/402038519.db2.gz DBYBVYIPWHCXAN-QWRGUYRKSA-N 1 0 316.492 2.496 50 0 DEAARO CNC(=O)NC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000095984431 402042054 /nfs/dbraw/zinc/04/20/54/402042054.db2.gz SULHVZOFTQHCQK-ZCFIWIBFSA-N 1 0 322.167 2.239 50 0 DEAARO CC1CC[NH+](C[C@H](O)CNC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000095984153 402042190 /nfs/dbraw/zinc/04/21/90/402042190.db2.gz ZIOPXOPTKGXAEK-OWCLPIDISA-N 1 0 311.470 2.052 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](CO)c2ccccc2F)CC1 ZINC000095989984 402043735 /nfs/dbraw/zinc/04/37/35/402043735.db2.gz PCZRJKWUSPTCBQ-OAHLLOKOSA-N 1 0 310.369 2.070 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@@H](CO)c2ccccc2F)CC1 ZINC000095989983 402043974 /nfs/dbraw/zinc/04/39/74/402043974.db2.gz PCZRJKWUSPTCBQ-HNNXBMFYSA-N 1 0 310.369 2.070 50 0 DEAARO C[C@H](CC1CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000095991530 402043980 /nfs/dbraw/zinc/04/39/80/402043980.db2.gz DNWBSLOPIOZLLO-OAHLLOKOSA-N 1 0 318.465 2.451 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(cccc2F)[nH]1 ZINC000053450085 402056129 /nfs/dbraw/zinc/05/61/29/402056129.db2.gz PYIQVPQPTUYNJO-UHFFFAOYSA-N 1 0 319.380 2.149 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CN2CCCC2=O)o1 ZINC000048382332 401999751 /nfs/dbraw/zinc/99/97/51/401999751.db2.gz WSRJFOBGCSWUIU-LLVKDONJSA-N 1 0 302.378 2.079 50 0 DEAARO CCC(CC)n1ncc(C)c1NC(=O)[C@@H]1CC[N@H+](CCOC)C1 ZINC000055153650 402076593 /nfs/dbraw/zinc/07/65/93/402076593.db2.gz JQBWRGFGWIVNKQ-CQSZACIVSA-N 1 0 322.453 2.459 50 0 DEAARO CC(C)CN(Cc1ccsc1)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000055154144 402076715 /nfs/dbraw/zinc/07/67/15/402076715.db2.gz VLVDXTLAEHIFOE-MRXNPFEDSA-N 1 0 323.506 2.369 50 0 DEAARO Cc1nc(C(=O)N(CC[NH+](C)C)CC(C)C)c2ccccn12 ZINC000096420788 402082746 /nfs/dbraw/zinc/08/27/46/402082746.db2.gz MIIQWMNDFGFHRH-UHFFFAOYSA-N 1 0 302.422 2.303 50 0 DEAARO COc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000096443353 402088421 /nfs/dbraw/zinc/08/84/21/402088421.db2.gz DQYRTCMZTAZOPA-JKSUJKDBSA-N 1 0 304.390 2.277 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccncc3)C2)c1 ZINC000096449344 402089581 /nfs/dbraw/zinc/08/95/81/402089581.db2.gz GQMOPMNCLHXMGN-OAHLLOKOSA-N 1 0 313.401 2.467 50 0 DEAARO O=C(CC[NH+]1CCC(=Cc2ccccc2)CC1)N1CCOCC1 ZINC000096455401 402091498 /nfs/dbraw/zinc/09/14/98/402091498.db2.gz BTXGNKGERQCEQK-UHFFFAOYSA-N 1 0 314.429 2.415 50 0 DEAARO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccncc1F ZINC000096460356 402091930 /nfs/dbraw/zinc/09/19/30/402091930.db2.gz GGVAUUVSMBTZRB-UHFFFAOYSA-N 1 0 307.394 2.486 50 0 DEAARO OCC1([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCOCC1 ZINC000096484923 402094404 /nfs/dbraw/zinc/09/44/04/402094404.db2.gz NGBCEXOZWMRJOO-UHFFFAOYSA-N 1 0 307.287 2.476 50 0 DEAARO CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000096495033 402096289 /nfs/dbraw/zinc/09/62/89/402096289.db2.gz DRGAGJKNOGQFOO-KGLIPLIRSA-N 1 0 305.422 2.283 50 0 DEAARO CCc1ccc([C@H]2COCCN2C(=O)[C@@H]([NH3+])c2ccccc2)o1 ZINC000096499684 402096856 /nfs/dbraw/zinc/09/68/56/402096856.db2.gz LUPWTHCNJQEOOY-WBVHZDCISA-N 1 0 314.385 2.442 50 0 DEAARO CC[N@H+](C)[C@H](C(=O)NCc1cccnc1OC)c1ccccc1 ZINC000057829709 402097571 /nfs/dbraw/zinc/09/75/71/402097571.db2.gz BSLIHPIXCBENEC-INIZCTEOSA-N 1 0 313.401 2.399 50 0 DEAARO Cc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N(C)C)cc1 ZINC000058304915 402099602 /nfs/dbraw/zinc/09/96/02/402099602.db2.gz REPRLXGMSDSSGS-NVXWUHKLSA-N 1 0 313.449 2.126 50 0 DEAARO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000058341206 402100154 /nfs/dbraw/zinc/10/01/54/402100154.db2.gz CFQKGKNTUMNSGH-AWEZNQCLSA-N 1 0 315.417 2.112 50 0 DEAARO CN(C)c1nc(C[NH2+]C2CCN(c3nccs3)CC2)cs1 ZINC000097081067 402104623 /nfs/dbraw/zinc/10/46/23/402104623.db2.gz NQGMVNIRYRGEKR-UHFFFAOYSA-N 1 0 323.491 2.424 50 0 DEAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1c(Cl)nc3sccn13)CC2 ZINC000097199415 402115296 /nfs/dbraw/zinc/11/52/96/402115296.db2.gz FLWUMSXVYZNVNS-VIFPVBQESA-N 1 0 322.825 2.054 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@H](O)c1ccccc1 ZINC000063847385 402116298 /nfs/dbraw/zinc/11/62/98/402116298.db2.gz QBBLQTGHRUYTKK-KRWDZBQOSA-N 1 0 304.434 2.492 50 0 DEAARO CSCc1nc(CNC(=O)CC2CC[NH+](C)CC2)cs1 ZINC000097480322 402125712 /nfs/dbraw/zinc/12/57/12/402125712.db2.gz ZOUQJJOMQPHWGZ-UHFFFAOYSA-N 1 0 313.492 2.354 50 0 DEAARO CCN(C[C@H](O)c1cccc(O)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000097619414 402128727 /nfs/dbraw/zinc/12/87/27/402128727.db2.gz ROHWCWFPHRKKBV-KRWDZBQOSA-N 1 0 320.433 2.006 50 0 DEAARO CSc1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000097716909 402131241 /nfs/dbraw/zinc/13/12/41/402131241.db2.gz XUWQBMDHIYQVBB-IRXDYDNUSA-N 1 0 306.475 2.440 50 0 DEAARO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1C(F)(F)F ZINC000153292032 402137781 /nfs/dbraw/zinc/13/77/81/402137781.db2.gz MBPZWHWXJUZNPD-NXEZZACHSA-N 1 0 318.343 2.305 50 0 DEAARO CCOc1ccc2[nH]c(=O)c(CN3CC[NH2+][C@@H](CC)C3)cc2c1 ZINC000067539967 402161831 /nfs/dbraw/zinc/16/18/31/402161831.db2.gz IPQQAAFKJBHFMG-HNNXBMFYSA-N 1 0 315.417 2.111 50 0 DEAARO CCn1nccc1C(=O)NCC1CC[NH+](CC=C(C)C)CC1 ZINC000067695833 402167912 /nfs/dbraw/zinc/16/79/12/402167912.db2.gz VCMUFEQCZBRHSY-UHFFFAOYSA-N 1 0 304.438 2.311 50 0 DEAARO CC(C)c1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000067691678 402167930 /nfs/dbraw/zinc/16/79/30/402167930.db2.gz MOULQOYSFRWCJZ-CYBMUJFWSA-N 1 0 316.405 2.378 50 0 DEAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)on1 ZINC000067755959 402172107 /nfs/dbraw/zinc/17/21/07/402172107.db2.gz LMNCLHNCZBPTES-LSDHHAIUSA-N 1 0 316.357 2.062 50 0 DEAARO CC(C)Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000067821457 402173865 /nfs/dbraw/zinc/17/38/65/402173865.db2.gz SBIVFOZQSOCOOW-AWEZNQCLSA-N 1 0 306.454 2.080 50 0 DEAARO COCC(=O)N(CC1=CCC[N@H+](Cc2ccncc2)C1)C(C)C ZINC000067840330 402174144 /nfs/dbraw/zinc/17/41/44/402174144.db2.gz SSRTVFRCJSAWJW-UHFFFAOYSA-N 1 0 317.433 2.097 50 0 DEAARO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccc1C ZINC000067863946 402176345 /nfs/dbraw/zinc/17/63/45/402176345.db2.gz HISSJFDEVXMORD-OAHLLOKOSA-N 1 0 324.428 2.456 50 0 DEAARO CCn1nc(C)c([C@@H](C)Nc2cc(CC[NH3+])nc(C)n2)c1C ZINC000067886096 402177484 /nfs/dbraw/zinc/17/74/84/402177484.db2.gz RFOZGORPTQSCRE-SNVBAGLBSA-N 1 0 302.426 2.293 50 0 DEAARO C[C@@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH2+]1 ZINC000153885680 402177620 /nfs/dbraw/zinc/17/76/20/402177620.db2.gz ISLMPORNPUKMRS-GHMZBOCLSA-N 1 0 316.323 2.293 50 0 DEAARO Cc1nc(N[C@@H](C)Cc2cnccn2)cc(C2CC[NH2+]CC2)n1 ZINC000067909863 402177941 /nfs/dbraw/zinc/17/79/41/402177941.db2.gz NGEFGUUIVLVJPG-LBPRGKRZSA-N 1 0 312.421 2.085 50 0 DEAARO O=C1CNC(=O)N1C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000069132472 402213933 /nfs/dbraw/zinc/21/39/33/402213933.db2.gz KGIWKIRBYSHEJL-CYBMUJFWSA-N 1 0 307.781 2.029 50 0 DEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(F)cc2)cn1 ZINC000106837390 402216823 /nfs/dbraw/zinc/21/68/23/402216823.db2.gz LKKONDNOLIQLRT-NVXWUHKLSA-N 1 0 319.380 2.136 50 0 DEAARO CC(C)Oc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000069371216 402220680 /nfs/dbraw/zinc/22/06/80/402220680.db2.gz CNTLNFBZINIFSV-UHFFFAOYSA-N 1 0 317.433 2.463 50 0 DEAARO C[C@@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)[C@@H](C)n1cccn1 ZINC000069376014 402220693 /nfs/dbraw/zinc/22/06/93/402220693.db2.gz YCSSBRGDVQSNIO-ZIAGYGMSSA-N 1 0 310.405 2.418 50 0 DEAARO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1F ZINC000069393669 402221703 /nfs/dbraw/zinc/22/17/03/402221703.db2.gz LFUTYQGMWQZUCE-KRWDZBQOSA-N 1 0 303.381 2.468 50 0 DEAARO C[C@@H]1CN([C@H](C[NH2+]C2CCOCC2)c2cccs2)CCO1 ZINC000106917506 402222685 /nfs/dbraw/zinc/22/26/85/402222685.db2.gz JOFKNPRKXRAYTQ-UKRRQHHQSA-N 1 0 310.463 2.279 50 0 DEAARO C[C@@H]1C[N@H+](CCc2cccs2)CCN1Cc1nccn1C ZINC000069489249 402226258 /nfs/dbraw/zinc/22/62/58/402226258.db2.gz XDNONAJESNTRAW-CQSZACIVSA-N 1 0 304.463 2.230 50 0 DEAARO Clc1ccc2c(c1)C=C(C[NH2+][C@H]1CCc3ncnn3C1)CO2 ZINC000069491706 402227084 /nfs/dbraw/zinc/22/70/84/402227084.db2.gz RSJICKATCZJSKS-AWEZNQCLSA-N 1 0 316.792 2.312 50 0 DEAARO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000069531055 402229185 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C[NH+](C)CCN(Cc1ccccc1F)C(=O)Cc1cccnc1 ZINC000069653345 402236668 /nfs/dbraw/zinc/23/66/68/402236668.db2.gz VHGWHYIUZMJJGD-UHFFFAOYSA-N 1 0 315.392 2.354 50 0 DEAARO C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@]12CCNC(=O)CC2 ZINC000107657138 402236931 /nfs/dbraw/zinc/23/69/31/402236931.db2.gz NABUPSVXKJSTNY-QGZVFWFLSA-N 1 0 321.852 2.126 50 0 DEAARO Cc1noc(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069709210 402240378 /nfs/dbraw/zinc/24/03/78/402240378.db2.gz SGZBHGLAEMCAQV-HOTGVXAUSA-N 1 0 305.422 2.309 50 0 DEAARO CCc1nnsc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC ZINC000069895027 402249959 /nfs/dbraw/zinc/24/99/59/402249959.db2.gz URLQUPNHIWCSBF-OLZOCXBDSA-N 1 0 308.451 2.189 50 0 DEAARO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069918493 402251106 /nfs/dbraw/zinc/25/11/06/402251106.db2.gz HCXKBCOVUNQYBX-OLZOCXBDSA-N 1 0 322.453 2.033 50 0 DEAARO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000069922521 402251111 /nfs/dbraw/zinc/25/11/11/402251111.db2.gz DWWHPCVQOUODLW-HOTGVXAUSA-N 1 0 318.465 2.483 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2ccccc2)C[C@H]1CC ZINC000070015796 402255059 /nfs/dbraw/zinc/25/50/59/402255059.db2.gz RNNGBYYKQWBCEJ-QGZVFWFLSA-N 1 0 306.450 2.498 50 0 DEAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000071145026 402270466 /nfs/dbraw/zinc/27/04/66/402270466.db2.gz JSTSFVDJGQWZNB-SECBINFHSA-N 1 0 323.245 2.223 50 0 DEAARO O=C(Cc1ccc(O)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071405720 402273764 /nfs/dbraw/zinc/27/37/64/402273764.db2.gz CJJIJAFLUHZLFD-UHFFFAOYSA-N 1 0 306.381 2.066 50 0 DEAARO Cc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)[nH]n1 ZINC000071761267 402276252 /nfs/dbraw/zinc/27/62/52/402276252.db2.gz PHYAHSSTVZMEFH-INIZCTEOSA-N 1 0 304.438 2.301 50 0 DEAARO [NH3+][C@@H]1CCCN(Cc2ccccc2OCCCn2ccnc2)C1 ZINC000215036302 402281177 /nfs/dbraw/zinc/28/11/77/402281177.db2.gz CSKPCPAUWOWAIJ-QGZVFWFLSA-N 1 0 314.433 2.275 50 0 DEAARO Cc1cnc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cn1 ZINC000071830738 402285395 /nfs/dbraw/zinc/28/53/95/402285395.db2.gz UJJANVFEISHPHP-QLFBSQMISA-N 1 0 302.422 2.262 50 0 DEAARO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4nccn4C)C3)c2n1 ZINC000216549958 402289467 /nfs/dbraw/zinc/28/94/67/402289467.db2.gz GKJHWLNVZCBNAP-HNNXBMFYSA-N 1 0 324.432 2.459 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)CO)cc1 ZINC000185113570 402325269 /nfs/dbraw/zinc/32/52/69/402325269.db2.gz WUQYTLBGOOQQMI-VNQPRFMTSA-N 1 0 311.447 2.050 50 0 DEAARO Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)nn1 ZINC000221740301 402304402 /nfs/dbraw/zinc/30/44/02/402304402.db2.gz ILSRLTNKFCKIDP-DLBZAZTESA-N 1 0 312.417 2.077 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)nn1 ZINC000221740242 402304621 /nfs/dbraw/zinc/30/46/21/402304621.db2.gz ILSRLTNKFCKIDP-IAGOWNOFSA-N 1 0 312.417 2.077 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cnc2ccccc2c1 ZINC000222553762 402307860 /nfs/dbraw/zinc/30/78/60/402307860.db2.gz XXNWVCNTRHUYIK-IRXDYDNUSA-N 1 0 313.401 2.072 50 0 DEAARO C[NH+]1CCC(CNC(=O)c2ccc(N)nc2)(c2ccccc2)CC1 ZINC000222555526 402308176 /nfs/dbraw/zinc/30/81/76/402308176.db2.gz PRNLEDPZIVEZAI-UHFFFAOYSA-N 1 0 324.428 2.057 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000225392624 402316569 /nfs/dbraw/zinc/31/65/69/402316569.db2.gz HKNNSQXAIGTXKJ-LSDHHAIUSA-N 1 0 312.454 2.480 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1F ZINC000225478832 402318501 /nfs/dbraw/zinc/31/85/01/402318501.db2.gz NFHHWZVBQAJSLA-CQSZACIVSA-N 1 0 302.415 2.176 50 0 DEAARO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2c(C)cccc12 ZINC000225535968 402320467 /nfs/dbraw/zinc/32/04/67/402320467.db2.gz NWMXBIISWMMLTA-CQSZACIVSA-N 1 0 302.422 2.443 50 0 DEAARO CCc1ccc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244773771 402449382 /nfs/dbraw/zinc/44/93/82/402449382.db2.gz PGDPPQJISJMPHA-WKILWMFISA-N 1 0 313.449 2.214 50 0 DEAARO CCN(CC[NH+](CC)CC)C(=O)c1cc2nc(C)cc(C)n2n1 ZINC000244873581 402450675 /nfs/dbraw/zinc/45/06/75/402450675.db2.gz 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SVDNISYCDASOAL-OLZOCXBDSA-N 1 0 321.387 2.037 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000044966560 331701581 /nfs/dbraw/zinc/70/15/81/331701581.db2.gz GQTGVUVSXOEHBQ-KGLIPLIRSA-N 1 0 323.462 2.315 50 0 DEAARO Cc1nc(CN2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)no1 ZINC000215934009 333387548 /nfs/dbraw/zinc/38/75/48/333387548.db2.gz OVOXYTPIWJIKOV-HOTGVXAUSA-N 1 0 316.449 2.488 50 0 DEAARO c1cncc(CN2CCC[C@H]([NH2+]C3CSCCSC3)C2)c1 ZINC000534575282 334287539 /nfs/dbraw/zinc/28/75/39/334287539.db2.gz CGPULQDVDNIUOZ-HNNXBMFYSA-N 1 0 323.531 2.484 50 0 DEAARO COc1ccc(F)c(F)c1C(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000534585032 334291571 /nfs/dbraw/zinc/29/15/71/334291571.db2.gz RZHNEHFFGQTMEU-NSHDSACASA-N 1 0 300.349 2.289 50 0 DEAARO Cc1cccc([C@H](CN=c2nc(N(C)C)[nH]s2)[NH+](C)C)c1 ZINC000534590875 334294263 /nfs/dbraw/zinc/29/42/63/334294263.db2.gz JYAQGLFUAZNMAX-ZDUSSCGKSA-N 1 0 305.451 2.049 50 0 DEAARO O=C(CCc1ccc(F)cc1F)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534591449 334294491 /nfs/dbraw/zinc/29/44/91/334294491.db2.gz FXYCMIIYIACEFO-SDSIWUNFSA-N 1 0 306.356 2.106 50 0 DEAARO FC(F)(F)c1ccnc(N2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000534592777 334294712 /nfs/dbraw/zinc/29/47/12/334294712.db2.gz KPPAHEODBIKIOR-UHFFFAOYSA-N 1 0 301.312 2.059 50 0 DEAARO CC(C)c1ccc(S(=O)(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000022999753 337350880 /nfs/dbraw/zinc/35/08/80/337350880.db2.gz XYRTUIDZLZWPHS-UHFFFAOYSA-N 1 0 310.463 2.430 50 0 DEAARO CC(C)OC[C@@H](O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000247399192 528011041 /nfs/dbraw/zinc/01/10/41/528011041.db2.gz WXMJKIZLHDSHLN-ROUUACIJSA-N 1 0 306.450 2.373 50 0 DEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1 ZINC000299792343 528056236 /nfs/dbraw/zinc/05/62/36/528056236.db2.gz FRELYYAJRZQRDD-GJZGRUSLSA-N 1 0 309.841 2.110 50 0 DEAARO CCOc1ccc([C@@H](C)NC(=O)[C@]2(F)CC[NH2+]C2)cc1OCC ZINC000376790556 528592893 /nfs/dbraw/zinc/59/28/93/528592893.db2.gz FPTSMAONWRCECD-PXAZEXFGSA-N 1 0 324.396 2.363 50 0 DEAARO CCOCC[N@@H+]1CCN(c2ncnc3ccccc32)C[C@H]1C ZINC000248288572 528758187 /nfs/dbraw/zinc/75/81/87/528758187.db2.gz IBEZPFZYTXEUKI-CQSZACIVSA-N 1 0 300.406 2.177 50 0 DEAARO C[NH+](C)Cc1cccc(CNC(=O)[C@H](O)C2CCCCC2)c1 ZINC000189714044 536032962 /nfs/dbraw/zinc/03/29/62/536032962.db2.gz CSVGGPFQGFEVOL-QGZVFWFLSA-N 1 0 304.434 2.306 50 0 DEAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc[nH]c1 ZINC000192228694 625565663 /nfs/dbraw/zinc/56/56/63/625565663.db2.gz TXNBLKVGMZRSLX-QGZVFWFLSA-N 1 0 313.401 2.036 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000186206690 633960698 /nfs/dbraw/zinc/96/06/98/633960698.db2.gz RUPXBAOYHBTMFG-ZDUSSCGKSA-N 1 0 302.418 2.343 50 0 DEAARO CCNC(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011667807 635647522 /nfs/dbraw/zinc/64/75/22/635647522.db2.gz FDRKZGRNORZLCY-KRWDZBQOSA-N 1 0 316.449 2.345 50 0 DEAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000011784122 635773040 /nfs/dbraw/zinc/77/30/40/635773040.db2.gz MLGQYKBKBZKYOR-KRWDZBQOSA-N 1 0 320.408 2.475 50 0 DEAARO COC(=O)CCCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012313832 636151072 /nfs/dbraw/zinc/15/10/72/636151072.db2.gz RXMCKXWMKBDFGI-INIZCTEOSA-N 1 0 324.465 2.491 50 0 DEAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH+]1CCCC1 ZINC000012583939 636909455 /nfs/dbraw/zinc/90/94/55/636909455.db2.gz DVJPAKVDDRQPGN-IBGZPJMESA-N 1 0 316.445 2.069 50 0 DEAARO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000045096750 646460168 /nfs/dbraw/zinc/46/01/68/646460168.db2.gz YJERUOFHTXKYPS-HNNXBMFYSA-N 1 0 308.809 2.462 50 0 DEAARO CCC[C@@H]1CN(c2nc(Cl)c(C(=O)OC)s2)CC[NH2+]1 ZINC000871596484 647140677 /nfs/dbraw/zinc/14/06/77/647140677.db2.gz JAIVLRIJZIOSRC-MRVPVSSYSA-N 1 0 303.815 2.161 50 0 DEAARO COCCC(C)(C)CNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000184050799 649229498 /nfs/dbraw/zinc/22/94/98/649229498.db2.gz FERSHASUUYKUDI-AWEZNQCLSA-N 1 0 322.453 2.160 50 0 DEAARO Nc1cc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)ccn1 ZINC000012746736 683844117 /nfs/dbraw/zinc/84/41/17/683844117.db2.gz JXMAFIPAVWRJAB-MRXNPFEDSA-N 1 0 316.449 2.438 50 0 DEAARO Cc1nc(CC[NH3+])cc(N(C)Cc2cnc3ccccc3c2)n1 ZINC000067974244 683925807 /nfs/dbraw/zinc/92/58/07/683925807.db2.gz BUTKCPHXZJCKRO-UHFFFAOYSA-N 1 0 307.401 2.471 50 0 DEAARO CCc1nc(CN2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)cs1 ZINC000072161832 683927266 /nfs/dbraw/zinc/92/72/66/683927266.db2.gz XCFCYJJIBFGJPD-ZDUSSCGKSA-N 1 0 323.462 2.076 50 0 DEAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2ccc3scnc3c2)C1 ZINC000824412460 783594702 /nfs/dbraw/zinc/59/47/02/783594702.db2.gz USNQHIMPBDKQJR-LLVKDONJSA-N 1 0 305.403 2.203 50 0 DEAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCC1(COc2ccccc2)CC1 ZINC000827267964 783669786 /nfs/dbraw/zinc/66/97/86/783669786.db2.gz JQNYEVUMZWGDIA-HNNXBMFYSA-N 1 0 317.433 2.368 50 0 DEAARO CC1=C(c2ccccc2)[C@@H]1C(=O)NCCNc1cc[nH+]cc1C ZINC000827688894 783682981 /nfs/dbraw/zinc/68/29/81/783682981.db2.gz JCABLVRXXLEBBX-GOSISDBHSA-N 1 0 307.397 2.444 50 0 DEAARO CC(C)C(=O)N1CC(c2noc([C@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000575542299 784252420 /nfs/dbraw/zinc/25/24/20/784252420.db2.gz OCUWSXLAYMYZGK-CQSZACIVSA-N 1 0 318.421 2.198 50 0 DEAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)c2ccccn2)C1 ZINC000581776421 784774416 /nfs/dbraw/zinc/77/44/16/784774416.db2.gz PLXSYNYYVWAIEB-UHFFFAOYSA-N 1 0 324.428 2.459 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)c2ccccn2)C1)C1CCOCC1 ZINC000581794919 784782637 /nfs/dbraw/zinc/78/26/37/784782637.db2.gz YGKIWHWOBASXBO-UHFFFAOYSA-N 1 0 317.433 2.043 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)c2nccn2C)CC1 ZINC000581808787 784786656 /nfs/dbraw/zinc/78/66/56/784786656.db2.gz MPZLAFUGTVJDNQ-UHFFFAOYSA-N 1 0 313.405 2.280 50 0 DEAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@](C)(O)C2CC2)cc1 ZINC000585082293 789679780 /nfs/dbraw/zinc/67/97/80/789679780.db2.gz YHSVXHSMIPMSLZ-SFHVURJKSA-N 1 0 304.434 2.304 50 0 DEAARO Cc1[nH]nc(Cl)c1CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000585117064 789704674 /nfs/dbraw/zinc/70/46/74/789704674.db2.gz QCEBHKIENQDJQE-UHFFFAOYSA-N 1 0 314.861 2.162 50 0 DEAARO COc1ccc2[nH]c(C[NH2+]Cc3cnc(N(C)C)nc3)cc2c1 ZINC000952978757 792843843 /nfs/dbraw/zinc/84/38/43/792843843.db2.gz BYERZPIBAFKFIG-UHFFFAOYSA-N 1 0 311.389 2.322 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1cc(C(=O)NC(C)C)ccc1C ZINC000952988106 792868264 /nfs/dbraw/zinc/86/82/64/792868264.db2.gz NJIWGZCNDQGNRM-ZDUSSCGKSA-N 1 0 323.462 2.152 50 0 DEAARO CC(C)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000236701341 796905202 /nfs/dbraw/zinc/90/52/02/796905202.db2.gz HRIATXSATIUGGT-INIZCTEOSA-N 1 0 311.385 2.463 50 0 DEAARO CCn1nncc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000838911625 799547310 /nfs/dbraw/zinc/54/73/10/799547310.db2.gz AMZBFERNTCKJAZ-CYBMUJFWSA-N 1 0 313.405 2.276 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2O)[nH]n1 ZINC001529104850 1070855329 /nfs/dbraw/zinc/85/53/29/1070855329.db2.gz VAYYMOSLZCGJKK-BEFAXECRSA-N 1 0 322.412 2.302 50 0 DEAARO Cn1ccnc1CC[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC001529159071 1070888628 /nfs/dbraw/zinc/88/86/28/1070888628.db2.gz NGSCXXRKDSSFOH-INIZCTEOSA-N 1 0 305.447 2.470 50 0 DEAARO CCCn1nc(C)cc1NC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC001529159878 1070891848 /nfs/dbraw/zinc/89/18/48/1070891848.db2.gz UATYOCSUSITFEO-AWEZNQCLSA-N 1 0 308.426 2.041 50 0 DEAARO CNc1nc(N2CCC[N@H+](Cc3cccs3)CC2)ncc1F ZINC001529161767 1070894024 /nfs/dbraw/zinc/89/40/24/1070894024.db2.gz PEUSBIWTOOVPBJ-UHFFFAOYSA-N 1 0 321.425 2.431 50 0 DEAARO O[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1Cc1ccncc1 ZINC001529191464 1070910694 /nfs/dbraw/zinc/91/06/94/1070910694.db2.gz ZIBUEDNODPVRMB-QZTJIDSGSA-N 1 0 310.397 2.052 50 0 DEAARO Cc1ncnc(C)c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001506398474 1061938175 /nfs/dbraw/zinc/93/81/75/1061938175.db2.gz DLGSKSVHOMHAFF-UHFFFAOYSA-N 1 0 302.422 2.184 50 0 DEAARO COc1ccc(NC(C)(C)C(=O)N[C@H](C)C[NH+]2CCCC2)cc1 ZINC001506399307 1061938692 /nfs/dbraw/zinc/93/86/92/1061938692.db2.gz MCCXJPZGJKVSNA-CQSZACIVSA-N 1 0 319.449 2.486 50 0 DEAARO NC(=O)c1csc(NCC2([NH+]3CCCCC3)CCCC2)n1 ZINC001506416670 1061960088 /nfs/dbraw/zinc/96/00/88/1061960088.db2.gz KNMUCMKTWLRZSD-UHFFFAOYSA-N 1 0 308.451 2.453 50 0 DEAARO Cc1nncn1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC001506420048 1061963798 /nfs/dbraw/zinc/96/37/98/1061963798.db2.gz RUERGJXXPTZAMN-QGZVFWFLSA-N 1 0 300.406 2.268 50 0 DEAARO CC[N@H+](C)C1(CNS(=O)(=O)CC2CCCC2)CCCC1 ZINC000823067875 1090659241 /nfs/dbraw/zinc/65/92/41/1090659241.db2.gz UNVQASKSIXFWTR-UHFFFAOYSA-N 1 0 302.484 2.361 50 0 DEAARO C[C@@H](CCc1nnc(Cc2cccs2)[nH]1)[NH+]1CCN(C)CC1 ZINC000823789443 1090700489 /nfs/dbraw/zinc/70/04/89/1090700489.db2.gz QBCWBISWDFJLEO-ZDUSSCGKSA-N 1 0 319.478 2.026 50 0 DEAARO CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076981135 185063033 /nfs/dbraw/zinc/06/30/33/185063033.db2.gz HCTPEBOMBZEEEA-LBPRGKRZSA-N 1 0 307.360 2.455 50 0 DEAARO CC(C)n1ncc2cc(C(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)cnc21 ZINC000078895074 185124073 /nfs/dbraw/zinc/12/40/73/185124073.db2.gz JNTOHUZGFXLOTC-SWLSCSKDSA-N 1 0 315.421 2.034 50 0 DEAARO C[NH2+]CC1CCN(C(=O)/C=C\c2cc(C)ccc2OC)CC1 ZINC000493467359 290639526 /nfs/dbraw/zinc/63/95/26/290639526.db2.gz OUALEEWWFFMOQZ-ALCCZGGFSA-N 1 0 302.418 2.475 50 0 DEAARO Cc1nc(CSc2nnc(CC3CC[NH2+]CC3)n2C)cs1 ZINC000082157400 185174165 /nfs/dbraw/zinc/17/41/65/185174165.db2.gz NKLVUBGHNWHKKN-UHFFFAOYSA-N 1 0 323.491 2.414 50 0 DEAARO COCC(=O)Nc1ccc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000088685792 185262471 /nfs/dbraw/zinc/26/24/71/185262471.db2.gz ZRVSPOYJQBPKLQ-BBRMVZONSA-N 1 0 305.422 2.412 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000089949046 185271089 /nfs/dbraw/zinc/27/10/89/185271089.db2.gz SGDARMLJDCPRIZ-ZFWWWQNUSA-N 1 0 304.390 2.152 50 0 DEAARO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090115981 185282886 /nfs/dbraw/zinc/28/28/86/185282886.db2.gz AJVUUMTZESNQJS-HIFRSBDPSA-N 1 0 316.405 2.119 50 0 DEAARO O=C(CC[NH2+][C@H]1CCOC2(CCOCC2)C1)Nc1ccccc1 ZINC000082097732 192355462 /nfs/dbraw/zinc/35/54/62/192355462.db2.gz YCLFZQPMEXDARY-INIZCTEOSA-N 1 0 318.417 2.333 50 0 DEAARO CCC[C@@H]1CN(C(=O)c2csc(CN(C)C)n2)C[C@H]1[NH+](C)C ZINC000082133717 192359221 /nfs/dbraw/zinc/35/92/21/192359221.db2.gz JZQGPRCUCPIUQK-TZMCWYRMSA-N 1 0 324.494 2.007 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(Cn2cccn2)CC1 ZINC000095391620 185351926 /nfs/dbraw/zinc/35/19/26/185351926.db2.gz CVEAGSHAWAULHR-OAHLLOKOSA-N 1 0 304.438 2.044 50 0 DEAARO CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095411279 185357483 /nfs/dbraw/zinc/35/74/83/185357483.db2.gz QEEGTXKOYZJNTH-WBVHZDCISA-N 1 0 323.481 2.196 50 0 DEAARO CCCn1nc(C)c(C[NH2+]CCNc2ccc(C)nn2)c1C ZINC000095414134 185358426 /nfs/dbraw/zinc/35/84/26/185358426.db2.gz CSZZODXQTRRSHR-UHFFFAOYSA-N 1 0 302.426 2.210 50 0 DEAARO COC[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000095431949 185363651 /nfs/dbraw/zinc/36/36/51/185363651.db2.gz YXWPLKIQBOOABB-ZDUSSCGKSA-N 1 0 316.239 2.367 50 0 DEAARO CCCn1nc(-c2ccco2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000034902384 539333915 /nfs/dbraw/zinc/33/39/15/539333915.db2.gz QWNOKVNVMCSLFE-UHFFFAOYSA-N 1 0 316.405 2.379 50 0 DEAARO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000095437669 185365560 /nfs/dbraw/zinc/36/55/60/185365560.db2.gz QIKRVBKPCNWHMZ-OAGGEKHMSA-N 1 0 321.465 2.118 50 0 DEAARO COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCSC1)CC2 ZINC000097016647 185397534 /nfs/dbraw/zinc/39/75/34/185397534.db2.gz XFLKIOCDSUYOSH-OAHLLOKOSA-N 1 0 322.474 2.157 50 0 DEAARO CC(C)(C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000097033389 185399766 /nfs/dbraw/zinc/39/97/66/185399766.db2.gz MVFUTTXTDKQTHE-GJZGRUSLSA-N 1 0 317.495 2.385 50 0 DEAARO c1[nH]nc2c1cccc2C[NH2+]CCc1noc(-c2ccccn2)n1 ZINC000084025141 539391437 /nfs/dbraw/zinc/39/14/37/539391437.db2.gz MBNFNNMEFVUZHD-UHFFFAOYSA-N 1 0 320.356 2.340 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)n1 ZINC000084714685 539398196 /nfs/dbraw/zinc/39/81/96/539398196.db2.gz HJAXOMUPYQDMHH-SGMGOOAPSA-N 1 0 320.437 2.491 50 0 DEAARO C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090916701 539418684 /nfs/dbraw/zinc/41/86/84/539418684.db2.gz OPDDOCKJICJAAH-KBPBESRZSA-N 1 0 323.441 2.046 50 0 DEAARO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000090455094 539416370 /nfs/dbraw/zinc/41/63/70/539416370.db2.gz WCYNTWKPSFMLOG-ABAIWWIYSA-N 1 0 316.380 2.413 50 0 DEAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000093613197 539432151 /nfs/dbraw/zinc/43/21/51/539432151.db2.gz NZDRUGZOQOFABD-JKSUJKDBSA-N 1 0 309.406 2.178 50 0 DEAARO CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC12CCOCC2 ZINC000097945011 539435793 /nfs/dbraw/zinc/43/57/93/539435793.db2.gz FNGVZDVJSJRNSA-MRXNPFEDSA-N 1 0 302.418 2.003 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000069951050 190841617 /nfs/dbraw/zinc/84/16/17/190841617.db2.gz KOGONACNTSRXAR-SJORKVTESA-N 1 0 312.417 2.310 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C2)c1 ZINC000170049025 539613927 /nfs/dbraw/zinc/61/39/27/539613927.db2.gz VBPXMKAPCMIYAV-MLGOLLRUSA-N 1 0 320.433 2.393 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccncc2Cl)CC1 ZINC000083877978 192389169 /nfs/dbraw/zinc/38/91/69/192389169.db2.gz NYQZQNBNHQXRJA-AWEZNQCLSA-N 1 0 308.857 2.341 50 0 DEAARO O[C@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@@H](O)C1 ZINC000229106533 539732706 /nfs/dbraw/zinc/73/27/06/539732706.db2.gz RJZHHRNFYKGDKQ-CVEARBPZSA-N 1 0 301.386 2.036 50 0 DEAARO Cc1ccccc1[C@H](O)CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237443183 539746169 /nfs/dbraw/zinc/74/61/69/539746169.db2.gz KHZWOFYXZDMANW-BMGDILEWSA-N 1 0 312.413 2.481 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CC(=O)OC)cc1 ZINC000071853843 191032602 /nfs/dbraw/zinc/03/26/02/191032602.db2.gz VDFXVBMWDVZDIM-CYBMUJFWSA-N 1 0 306.406 2.210 50 0 DEAARO Cc1cc(C)n(CCCC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000071764339 191028016 /nfs/dbraw/zinc/02/80/16/191028016.db2.gz AZPMMYOOUPLDNQ-HNNXBMFYSA-N 1 0 318.465 2.365 50 0 DEAARO COCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072153138 191058267 /nfs/dbraw/zinc/05/82/67/191058267.db2.gz NZIJVGHJYVYNSY-BHIYHBOVSA-N 1 0 314.429 2.112 50 0 DEAARO COc1cccc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c1 ZINC000072161307 191062113 /nfs/dbraw/zinc/06/21/13/191062113.db2.gz VQLHDCXYZQJIEK-QGZVFWFLSA-N 1 0 321.421 2.006 50 0 DEAARO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)n2)cc1C ZINC000150693090 186057394 /nfs/dbraw/zinc/05/73/94/186057394.db2.gz FKDOJFDUTGLVRE-OLZOCXBDSA-N 1 0 317.414 2.088 50 0 DEAARO Cc1ccc(CCNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)s1 ZINC000253394011 186304054 /nfs/dbraw/zinc/30/40/54/186304054.db2.gz WCZBBILBSCGXJU-PHIMTYICSA-N 1 0 304.419 2.322 50 0 DEAARO CC(=O)c1cccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c1 ZINC000072407224 191153014 /nfs/dbraw/zinc/15/30/14/191153014.db2.gz PPABHGDDZDKAGQ-UHFFFAOYSA-N 1 0 323.396 2.168 50 0 DEAARO Cc1cc2nc(-c3ccccc3)cc(N3C[C@H]4C[NH2+]C[C@H]4C3)n2n1 ZINC000072424265 191159244 /nfs/dbraw/zinc/15/92/44/191159244.db2.gz JRWTVYFYCNFFKM-IYBDPMFKSA-N 1 0 319.412 2.360 50 0 DEAARO CCn1nc(CNc2ncnc3c2CC[NH2+]CC3)c2ccccc21 ZINC000072425276 191160418 /nfs/dbraw/zinc/16/04/18/191160418.db2.gz HOUYBAYVEKVUJV-UHFFFAOYSA-N 1 0 322.416 2.147 50 0 DEAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCC(=O)c1ccc(F)cc1)C2 ZINC000072430728 191162273 /nfs/dbraw/zinc/16/22/73/191162273.db2.gz HRISRIBSQFMTMN-GOEBONIOSA-N 1 0 318.392 2.341 50 0 DEAARO c1ccn(CCNc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)c1 ZINC000072447361 191168457 /nfs/dbraw/zinc/16/84/57/191168457.db2.gz MVJQXCVAZSXHJO-UHFFFAOYSA-N 1 0 323.400 2.338 50 0 DEAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CCC(C)(C)O)c3)C[C@H]21 ZINC000072475685 191177312 /nfs/dbraw/zinc/17/73/12/191177312.db2.gz KLYYINIKOHNHIV-DLBZAZTESA-N 1 0 316.445 2.166 50 0 DEAARO CC(C)c1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003605760 181039542 /nfs/dbraw/zinc/03/95/42/181039542.db2.gz RGMCFXPJGLLVKK-UHFFFAOYSA-N 1 0 317.418 2.495 50 0 DEAARO C[NH+]1CCN(CCCOc2ccc(Br)cc2)CC1 ZINC000019368232 354044210 /nfs/dbraw/zinc/04/42/10/354044210.db2.gz PXHBXILFGDMYCG-UHFFFAOYSA-N 1 0 313.239 2.465 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000004488539 181114583 /nfs/dbraw/zinc/11/45/83/181114583.db2.gz XYEKBAKLEULFDL-UHFFFAOYSA-N 1 0 318.233 2.399 50 0 DEAARO COc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1OC ZINC000004698864 181138432 /nfs/dbraw/zinc/13/84/32/181138432.db2.gz RNZNMBMAAKMCDS-UHFFFAOYSA-N 1 0 320.433 2.440 50 0 DEAARO S=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000004750423 181148403 /nfs/dbraw/zinc/14/84/03/181148403.db2.gz LDIITQLDNBYHTE-UHFFFAOYSA-N 1 0 307.419 2.188 50 0 DEAARO Cc1ncnc2c1CCC(=O)N2CC[N@@H+](C)C1CCCCC1 ZINC000065289242 354681636 /nfs/dbraw/zinc/68/16/36/354681636.db2.gz XCPKCDDRXZFELD-UHFFFAOYSA-N 1 0 302.422 2.329 50 0 DEAARO Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000272322794 209713395 /nfs/dbraw/zinc/71/33/95/209713395.db2.gz LMGKEGPCBFVCLB-UHFFFAOYSA-N 1 0 310.401 2.190 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000072234493 354898920 /nfs/dbraw/zinc/89/89/20/354898920.db2.gz GGFMNPNLCVUUKA-CABCVRRESA-N 1 0 314.389 2.369 50 0 DEAARO O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cncc(F)c1 ZINC000618256296 363433022 /nfs/dbraw/zinc/43/30/22/363433022.db2.gz GAFHRGCMVIOTQX-CQSZACIVSA-N 1 0 305.378 2.287 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 ZINC000074709572 355044286 /nfs/dbraw/zinc/04/42/86/355044286.db2.gz WKRYOTDYUZXRSC-OLZOCXBDSA-N 1 0 308.451 2.330 50 0 DEAARO CC(C)=CC[NH+]1CCC(NC(=O)[C@H](O)c2ccccc2)CC1 ZINC000073471876 191319887 /nfs/dbraw/zinc/31/98/87/191319887.db2.gz XMNVMYIPHQVAOY-QGZVFWFLSA-N 1 0 302.418 2.267 50 0 DEAARO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 ZINC000076041653 355120477 /nfs/dbraw/zinc/12/04/77/355120477.db2.gz ABNXGBJVRDUKIX-IAGOWNOFSA-N 1 0 301.434 2.423 50 0 DEAARO Cc1noc(C2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)n1 ZINC000079105563 355296836 /nfs/dbraw/zinc/29/68/36/355296836.db2.gz DRTGTEHPWYXOLC-UHFFFAOYSA-N 1 0 312.377 2.039 50 0 DEAARO CCOc1ccccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000075128147 191425732 /nfs/dbraw/zinc/42/57/32/191425732.db2.gz ZZMOHEHBHAEEPV-HNNXBMFYSA-N 1 0 305.422 2.321 50 0 DEAARO CN(C)c1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000078822069 355280376 /nfs/dbraw/zinc/28/03/76/355280376.db2.gz IKTFXMVTWFQHGL-CQSZACIVSA-N 1 0 302.422 2.453 50 0 DEAARO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)o1 ZINC000078892081 355282921 /nfs/dbraw/zinc/28/29/21/355282921.db2.gz XBSNCQQVOCCXSR-LSDHHAIUSA-N 1 0 307.438 2.341 50 0 DEAARO CCC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000005041281 181195223 /nfs/dbraw/zinc/19/52/23/181195223.db2.gz WRCCNDDWQOFRRB-UHFFFAOYSA-N 1 0 319.405 2.469 50 0 DEAARO CC[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1[NH+](C)C ZINC000089948530 355549608 /nfs/dbraw/zinc/54/96/08/355549608.db2.gz AOFPRFQNBWSXQY-HOCLYGCPSA-N 1 0 317.433 2.283 50 0 DEAARO CN(Cc1nnc(C2CC2)o1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000089364925 355528592 /nfs/dbraw/zinc/52/85/92/355528592.db2.gz ZJSAMSQOKGWROM-HNNXBMFYSA-N 1 0 313.405 2.048 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+]C2CC(c3ccc(F)cc3)C2)cn1 ZINC000097371092 355704271 /nfs/dbraw/zinc/70/42/71/355704271.db2.gz HOOCBDWSBWKMIW-IMRCBTMISA-N 1 0 303.381 2.303 50 0 DEAARO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000097371960 355704451 /nfs/dbraw/zinc/70/44/51/355704451.db2.gz JICBZHYEBPARBE-SECBINFHSA-N 1 0 322.206 2.303 50 0 DEAARO Cc1cccn2cc(C(=O)NCCC[NH+]3CCCCC3)nc12 ZINC000097939102 355705860 /nfs/dbraw/zinc/70/58/60/355705860.db2.gz OJOMWBWDKYLACP-UHFFFAOYSA-N 1 0 300.406 2.249 50 0 DEAARO C[C@@]1(O)CCN(Cc2cccc(F)c2F)C[C@H]1[NH+]1CCCC1 ZINC000097942681 355706484 /nfs/dbraw/zinc/70/64/84/355706484.db2.gz GZENNRMUVIJHNG-NVXWUHKLSA-N 1 0 310.388 2.386 50 0 DEAARO Cc1ncsc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000093455021 355682605 /nfs/dbraw/zinc/68/26/05/355682605.db2.gz ALDBGILINPPZCW-AWEZNQCLSA-N 1 0 306.435 2.131 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000106868372 355726077 /nfs/dbraw/zinc/72/60/77/355726077.db2.gz KGOLBBDUTMVUGF-ZIAGYGMSSA-N 1 0 323.462 2.378 50 0 DEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]ccc1=O ZINC000170610214 355989202 /nfs/dbraw/zinc/98/92/02/355989202.db2.gz VJBHCEOVAHETFV-MRXNPFEDSA-N 1 0 311.385 2.354 50 0 DEAARO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cncn1C ZINC000177285317 198697833 /nfs/dbraw/zinc/69/78/33/198697833.db2.gz DWEIRKHFJIOASR-MRXNPFEDSA-N 1 0 310.442 2.449 50 0 DEAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000193128400 356223578 /nfs/dbraw/zinc/22/35/78/356223578.db2.gz IKMYKZAUNSDDLS-GXTWGEPZSA-N 1 0 302.484 2.072 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000185404241 356206548 /nfs/dbraw/zinc/20/65/48/356206548.db2.gz MKWYNDLQRWKLLS-HOTGVXAUSA-N 1 0 324.490 2.089 50 0 DEAARO O=C(c1ccc2ccc(Cl)cc2n1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227173 356251749 /nfs/dbraw/zinc/25/17/49/356251749.db2.gz VGPAHIPZGIOKGV-TXEJJXNPSA-N 1 0 301.777 2.180 50 0 DEAARO Cn1ccc([C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C(F)(F)F)c1 ZINC000195554670 356256703 /nfs/dbraw/zinc/25/67/03/356256703.db2.gz BJRHBISUGITGGR-DGCLKSJQSA-N 1 0 303.328 2.134 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nc(C2CC2)no1 ZINC000229555291 356282282 /nfs/dbraw/zinc/28/22/82/356282282.db2.gz SAMWSKCKXGGYRM-NILFDRSVSA-N 1 0 318.421 2.483 50 0 DEAARO OC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000225533079 356276306 /nfs/dbraw/zinc/27/63/06/356276306.db2.gz CYTMOLJXGMPHCA-CGTJXYLNSA-N 1 0 305.418 2.415 50 0 DEAARO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000194874200 356245899 /nfs/dbraw/zinc/24/58/99/356245899.db2.gz KTPCWJRYPOCUJR-KRWDZBQOSA-N 1 0 307.438 2.448 50 0 DEAARO C[NH+]1CCN(CCOc2ccc(Br)cc2F)CC1 ZINC000230555032 356284038 /nfs/dbraw/zinc/28/40/38/356284038.db2.gz KUTPHUOSWXHTGQ-UHFFFAOYSA-N 1 0 317.202 2.214 50 0 DEAARO CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)ONC(=O)OC(C)(C)C ZINC000398695736 356720820 /nfs/dbraw/zinc/72/08/20/356720820.db2.gz DOISBRIUEYEGJC-MCIONIFRSA-N 1 0 316.442 2.482 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000237252794 202206470 /nfs/dbraw/zinc/20/64/70/202206470.db2.gz RNAWCFCGEJVUMT-RCMYXZNBSA-N 1 0 310.401 2.096 50 0 DEAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)Nc1ccccc1 ZINC000584890450 357327231 /nfs/dbraw/zinc/32/72/31/357327231.db2.gz FMTXSFXFUWCNPU-INIZCTEOSA-N 1 0 317.433 2.348 50 0 DEAARO Cc1cc(C(=O)NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(O)cn1 ZINC000584893103 357328327 /nfs/dbraw/zinc/32/83/27/357328327.db2.gz ONPQKTVZHYTMHS-GOEBONIOSA-N 1 0 317.433 2.480 50 0 DEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cn[nH]n1 ZINC000584895989 357329153 /nfs/dbraw/zinc/32/91/53/357329153.db2.gz FRUSTPDPJQVVGH-MRXNPFEDSA-N 1 0 313.405 2.152 50 0 DEAARO C[C@H](CNC(=O)N1CCOc2ccccc2C1)[NH+]1CCCCC1 ZINC000584901878 357331714 /nfs/dbraw/zinc/33/17/14/357331714.db2.gz AGJKDEQRNSEUCI-OAHLLOKOSA-N 1 0 317.433 2.465 50 0 DEAARO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178564340 198888884 /nfs/dbraw/zinc/88/88/84/198888884.db2.gz JYUWSVRJXCUCRI-QMMMGPOBSA-N 1 0 303.189 2.423 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)COc2ccccc2C(C)(C)C)C1 ZINC000178996694 198966482 /nfs/dbraw/zinc/96/64/82/198966482.db2.gz IJVHDWUOUYRATM-CQSZACIVSA-N 1 0 304.434 2.431 50 0 DEAARO Cn1c2ccccc2nc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179299331 199012041 /nfs/dbraw/zinc/01/20/41/199012041.db2.gz KGOFLZWRZBRBRK-CQSZACIVSA-N 1 0 314.433 2.486 50 0 DEAARO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3ccnc3)ccc2NC1=O ZINC000180008921 199106536 /nfs/dbraw/zinc/10/65/36/199106536.db2.gz SMWFFOCAXFAWKG-IUODEOHRSA-N 1 0 314.389 2.343 50 0 DEAARO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCN(c2ccc(F)cc2)CC1 ZINC000237292388 202220135 /nfs/dbraw/zinc/22/01/35/202220135.db2.gz SMQJDPOWBRNCPW-IRXDYDNUSA-N 1 0 319.424 2.380 50 0 DEAARO COc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C[NH3+])cs1 ZINC000237349925 202239921 /nfs/dbraw/zinc/23/99/21/202239921.db2.gz STRRTILXEOUOSU-NSHDSACASA-N 1 0 317.414 2.382 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2F)n1 ZINC000188369749 200235253 /nfs/dbraw/zinc/23/52/53/200235253.db2.gz DMSRZGBKAPAOSO-GFCCVEGCSA-N 1 0 316.380 2.062 50 0 DEAARO Cn1cc(C(=O)N2CCC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000237881602 202377971 /nfs/dbraw/zinc/37/79/71/202377971.db2.gz MQKHMYNCGSZPTK-UHFFFAOYSA-N 1 0 318.808 2.176 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000237911542 202387720 /nfs/dbraw/zinc/38/77/20/202387720.db2.gz NUYXXDYCQKYDIR-NWANDNLSSA-N 1 0 308.809 2.367 50 0 DEAARO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ccnn3C)C2=O)c(C)c1 ZINC000188943600 200325677 /nfs/dbraw/zinc/32/56/77/200325677.db2.gz JPMJEDWUFVSEJW-INIZCTEOSA-N 1 0 312.417 2.240 50 0 DEAARO c1coc(CN2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)c1 ZINC000670435306 540932493 /nfs/dbraw/zinc/93/24/93/540932493.db2.gz ONCXWECEOKYRRJ-HNNXBMFYSA-N 1 0 300.406 2.114 50 0 DEAARO c1coc(CN2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)c1 ZINC000670435307 540932633 /nfs/dbraw/zinc/93/26/33/540932633.db2.gz ONCXWECEOKYRRJ-OAHLLOKOSA-N 1 0 300.406 2.114 50 0 DEAARO Cc1nncn1CC[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000670443342 540933920 /nfs/dbraw/zinc/93/39/20/540933920.db2.gz NUELVEOVJJHIIS-HNNXBMFYSA-N 1 0 324.432 2.353 50 0 DEAARO Cc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000670448408 540935263 /nfs/dbraw/zinc/93/52/63/540935263.db2.gz NNQNRFGZKZLWBT-HNNXBMFYSA-N 1 0 302.418 2.243 50 0 DEAARO CC(C)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192199837 200834641 /nfs/dbraw/zinc/83/46/41/200834641.db2.gz BTLHFOSSGYQFRB-INIZCTEOSA-N 1 0 324.513 2.090 50 0 DEAARO CN(C)C(=O)C1(C)CC[NH+](C2CSCCSC2)CC1 ZINC000670467839 540938360 /nfs/dbraw/zinc/93/83/60/540938360.db2.gz RYIYAIPJNPWIOZ-UHFFFAOYSA-N 1 0 302.509 2.025 50 0 DEAARO COC(=O)c1cc2oc(C)c(C)c2n1C[C@H](O)C[NH+]1CCCC1 ZINC000006796334 181390675 /nfs/dbraw/zinc/39/06/75/181390675.db2.gz PKCTTWMNJLLFPA-CYBMUJFWSA-N 1 0 320.389 2.094 50 0 DEAARO 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CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC000016603561 182052646 /nfs/dbraw/zinc/05/26/46/182052646.db2.gz GEMROCYEARGALE-AWEZNQCLSA-N 1 0 320.433 2.453 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000019731578 182139118 /nfs/dbraw/zinc/13/91/18/182139118.db2.gz KBCFFMDJDDBDJN-INIZCTEOSA-N 1 0 310.353 2.117 50 0 DEAARO Cc1cc(C)c(OCCOCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000019973765 182172347 /nfs/dbraw/zinc/17/23/47/182172347.db2.gz QJONSGWIMGYBOM-UHFFFAOYSA-N 1 0 312.841 2.257 50 0 DEAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020100557 182187154 /nfs/dbraw/zinc/18/71/54/182187154.db2.gz WGCCVXABXZQWJG-UHFFFAOYSA-N 1 0 315.461 2.063 50 0 DEAARO Cc1cc(Br)ccc1OCCCN1CC[NH2+]CC1 ZINC000020272566 182202479 /nfs/dbraw/zinc/20/24/79/182202479.db2.gz YKDJFJGYWAQXKG-UHFFFAOYSA-N 1 0 313.239 2.432 50 0 DEAARO COc1ccc(C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)cn1 ZINC000020598853 182236237 /nfs/dbraw/zinc/23/62/37/182236237.db2.gz ZIGLCZYQKQGZLN-UHFFFAOYSA-N 1 0 313.405 2.396 50 0 DEAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000020906540 182253636 /nfs/dbraw/zinc/25/36/36/182253636.db2.gz UVIJAEXMSDWPNA-SFHVURJKSA-N 1 0 302.418 2.186 50 0 DEAARO CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCC[NH+]1CCCC1 ZINC000021776455 182288487 /nfs/dbraw/zinc/28/84/87/182288487.db2.gz MZONBRBIGLFXCI-GOSISDBHSA-N 1 0 323.481 2.016 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1c(N)nc(C(C)C)n1CC(C)C ZINC000022023385 182304767 /nfs/dbraw/zinc/30/47/67/182304767.db2.gz NOMYDDZJSQNILG-UHFFFAOYSA-N 1 0 323.485 2.316 50 0 DEAARO C[C@H](O)C[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287297 182766714 /nfs/dbraw/zinc/76/67/14/182766714.db2.gz MVAZMUMRGQJYEE-HNNXBMFYSA-N 1 0 322.412 2.464 50 0 DEAARO NS(=O)(=O)c1ccc(CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035535568 182779536 /nfs/dbraw/zinc/77/95/36/182779536.db2.gz OUDXSXXWOUEWBF-DAXSKMNVSA-N 1 0 316.426 2.180 50 0 DEAARO COc1cccc(CC(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000040107611 183036240 /nfs/dbraw/zinc/03/62/40/183036240.db2.gz 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ZINC000058378452 184110021 /nfs/dbraw/zinc/11/00/21/184110021.db2.gz XGROXEFZQOXRDK-CYBMUJFWSA-N 1 0 316.430 2.431 50 0 DEAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058308941 184103580 /nfs/dbraw/zinc/10/35/80/184103580.db2.gz RSKSKAGPYQRAOX-LBPRGKRZSA-N 1 0 312.360 2.190 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000058824893 184129233 /nfs/dbraw/zinc/12/92/33/184129233.db2.gz QRFOLABWAJJTTQ-CQSZACIVSA-N 1 0 320.481 2.331 50 0 DEAARO CC(=O)c1ccc(OCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000060573320 184152572 /nfs/dbraw/zinc/15/25/72/184152572.db2.gz YNBUTMPBUJLDIQ-IRXDYDNUSA-N 1 0 316.401 2.011 50 0 DEAARO Cc1ccc(-n2nnc(C[NH3+])c2-c2ccc3c(c2)OCO3)cc1 ZINC000062248229 184225350 /nfs/dbraw/zinc/22/53/50/184225350.db2.gz UHKSWLAPEXSFLK-UHFFFAOYSA-N 1 0 308.341 2.430 50 0 DEAARO Cc1cnn(CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063271955 184280365 /nfs/dbraw/zinc/28/03/65/184280365.db2.gz WBTWOFCFPXSGEI-UHFFFAOYSA-N 1 0 318.465 2.352 50 0 DEAARO Cc1cccnc1C[C@H](C)[NH2+]CC(=O)NCc1ccccc1F ZINC000065371639 184329743 /nfs/dbraw/zinc/32/97/43/184329743.db2.gz DQCAJUVPSYGGLA-AWEZNQCLSA-N 1 0 315.392 2.366 50 0 DEAARO C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CC(C)(C)O1 ZINC000065424368 184342492 /nfs/dbraw/zinc/34/24/92/184342492.db2.gz CLPNDQAHALWMGP-AWEZNQCLSA-N 1 0 302.418 2.465 50 0 DEAARO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1cccc(F)c1 ZINC000065589545 184369215 /nfs/dbraw/zinc/36/92/15/184369215.db2.gz DBFFHZLHORNKBR-KRWDZBQOSA-N 1 0 303.381 2.468 50 0 DEAARO COc1cccc(CC[NH2+][C@@H](C)C(=O)NC2CCCC2)c1OC ZINC000065494203 184354954 /nfs/dbraw/zinc/35/49/54/184354954.db2.gz RHDBOARNWCNDQH-ZDUSSCGKSA-N 1 0 320.433 2.283 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000065624395 184375510 /nfs/dbraw/zinc/37/55/10/184375510.db2.gz URTFUVVJPODRJL-LBPRGKRZSA-N 1 0 317.202 2.008 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc(OC)c1 ZINC000156828099 197143428 /nfs/dbraw/zinc/14/34/28/197143428.db2.gz MYJFPQUOCVESBH-PXDWTWLNSA-N 1 0 318.417 2.303 50 0 DEAARO COc1cc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000156462055 197115635 /nfs/dbraw/zinc/11/56/35/197115635.db2.gz FTAAUVOYBZITBQ-QWHCGFSZSA-N 1 0 306.406 2.212 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000156158344 197090842 /nfs/dbraw/zinc/09/08/42/197090842.db2.gz UWCXYNFKDILNNZ-GXTWGEPZSA-N 1 0 310.463 2.484 50 0 DEAARO C[C@@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CC[NH2+]1 ZINC000155071945 197018498 /nfs/dbraw/zinc/01/84/98/197018498.db2.gz XYWCAGWZMCWFDW-CQSZACIVSA-N 1 0 311.385 2.095 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000194070068 256592803 /nfs/dbraw/zinc/59/28/03/256592803.db2.gz PGMRPWDETWIHQK-WMLDXEAASA-N 1 0 305.418 2.426 50 0 DEAARO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(Cl)cc1F ZINC000237535419 257238948 /nfs/dbraw/zinc/23/89/48/257238948.db2.gz PXTNEVFOVWOADF-UWVGGRQHSA-N 1 0 320.817 2.288 50 0 DEAARO CCO[C@H](C)c1nc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cs1 ZINC000236919127 257239120 /nfs/dbraw/zinc/23/91/20/257239120.db2.gz WWUWCHVYETYWDF-QJPTWQEYSA-N 1 0 311.451 2.121 50 0 DEAARO Cn1c(C[NH3+])nnc1SCc1ccccc1OC(F)F ZINC000071373939 257242578 /nfs/dbraw/zinc/24/25/78/257242578.db2.gz HRUKVCHYNWOLRW-UHFFFAOYSA-N 1 0 300.334 2.168 50 0 DEAARO Cc1ccnc(CNc2nc(CC3CC3)nc3c2CC[NH2+]CC3)c1 ZINC000072408038 257270776 /nfs/dbraw/zinc/27/07/76/257270776.db2.gz SPTBSUVMJVLAMI-UHFFFAOYSA-N 1 0 323.444 2.433 50 0 DEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1O ZINC000007125979 401736936 /nfs/dbraw/zinc/73/69/36/401736936.db2.gz PPRKDMVRNHTJPM-AWEZNQCLSA-N 1 0 309.329 2.038 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007787512 401744632 /nfs/dbraw/zinc/74/46/32/401744632.db2.gz UEFJRIXVGLGRDA-CYBMUJFWSA-N 1 0 317.433 2.090 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000007909220 401745911 /nfs/dbraw/zinc/74/59/11/401745911.db2.gz HSZBKLNTSLISQE-OAHLLOKOSA-N 1 0 317.433 2.233 50 0 DEAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000078064 401687843 /nfs/dbraw/zinc/68/78/43/401687843.db2.gz XNSAWMOLVHCLRE-UHFFFAOYSA-N 1 0 309.435 2.006 50 0 DEAARO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COC1CCCCC1 ZINC000000110081 401688100 /nfs/dbraw/zinc/68/81/00/401688100.db2.gz UJJIWSHIAQHBPD-HNNXBMFYSA-N 1 0 303.426 2.484 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(F)c3cccnc13)CC2 ZINC000071879346 401690711 /nfs/dbraw/zinc/69/07/11/401690711.db2.gz SEIJSVLEWYAXTH-ZDUSSCGKSA-N 1 0 311.364 2.378 50 0 DEAARO C[NH+](C)CC1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000071899652 401694596 /nfs/dbraw/zinc/69/45/96/401694596.db2.gz URUDDNWEGSQIFH-UHFFFAOYSA-N 1 0 304.360 2.219 50 0 DEAARO CN1c2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1=O ZINC000072141668 401703404 /nfs/dbraw/zinc/70/34/04/401703404.db2.gz VATNKBSYCCSOQH-UHFFFAOYSA-N 1 0 300.402 2.176 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000072253049 401704148 /nfs/dbraw/zinc/70/41/48/401704148.db2.gz QGFYJPWLHFLJJD-MRXNPFEDSA-N 1 0 314.433 2.275 50 0 DEAARO CC(=O)Nc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000001408212 401707060 /nfs/dbraw/zinc/70/70/60/401707060.db2.gz LACMBMGSHPYSSX-OAHLLOKOSA-N 1 0 320.356 2.491 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(C)cc2)n1 ZINC000072436806 401709812 /nfs/dbraw/zinc/70/98/12/401709812.db2.gz QNQNQMOLFFKAHM-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008307350 401751496 /nfs/dbraw/zinc/75/14/96/401751496.db2.gz LPKRZLVDIHWHMX-AXFHLTTASA-N 1 0 309.435 2.152 50 0 DEAARO CC(C)[NH+]1CCC(CNC(=O)NCCOc2ccccc2)CC1 ZINC000075166834 401753973 /nfs/dbraw/zinc/75/39/73/401753973.db2.gz CTKLKJXBZYCPFD-UHFFFAOYSA-N 1 0 319.449 2.485 50 0 DEAARO C[NH+](C)CCNc1nc2nccnc2c(Nc2ccccc2)n1 ZINC000009075194 401759245 /nfs/dbraw/zinc/75/92/45/401759245.db2.gz ONIYAZFHPOBTLE-UHFFFAOYSA-N 1 0 309.377 2.137 50 0 DEAARO COc1ccccc1OCC(=O)NCCC[NH+]1CCCCCC1 ZINC000010111090 401767839 /nfs/dbraw/zinc/76/78/39/401767839.db2.gz KAWVPZQPAWEIOP-UHFFFAOYSA-N 1 0 320.433 2.456 50 0 DEAARO COc1cc(OC)cc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000010277153 401769149 /nfs/dbraw/zinc/76/91/49/401769149.db2.gz FPZKJAOIDBCYIM-UHFFFAOYSA-N 1 0 306.406 2.310 50 0 DEAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000075928695 401773521 /nfs/dbraw/zinc/77/35/21/401773521.db2.gz YURJIMCTRRHGFY-CYBMUJFWSA-N 1 0 315.339 2.015 50 0 DEAARO CSc1ccccc1C(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000011817815 401776746 /nfs/dbraw/zinc/77/67/46/401776746.db2.gz AKJKGCZXISJTBV-ZDUSSCGKSA-N 1 0 308.447 2.201 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]CC1CCCCC1 ZINC000011878852 401777275 /nfs/dbraw/zinc/77/72/75/401777275.db2.gz FUHAOARZTMDRAN-SFHVURJKSA-N 1 0 308.466 2.310 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1 ZINC000012202503 401781915 /nfs/dbraw/zinc/78/19/15/401781915.db2.gz SHKJPZGVYMFKGY-SFHVURJKSA-N 1 0 320.408 2.069 50 0 DEAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)[nH]n1 ZINC000012447361 401786523 /nfs/dbraw/zinc/78/65/23/401786523.db2.gz DSCRQLYWLMBUJC-HNNXBMFYSA-N 1 0 304.438 2.493 50 0 DEAARO COC(=O)CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076388658 401793458 /nfs/dbraw/zinc/79/34/58/401793458.db2.gz RHAFLDPYFJSWFD-OAHLLOKOSA-N 1 0 318.417 2.063 50 0 DEAARO c1ccc2c(c1)CC(N1CCC[N@@H+](C[C@@H]3CCOC3)CC1)C2 ZINC000077517193 401818573 /nfs/dbraw/zinc/81/85/73/401818573.db2.gz WBXAVGBIUNGVND-INIZCTEOSA-N 1 0 300.446 2.198 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000020182627 401823823 /nfs/dbraw/zinc/82/38/23/401823823.db2.gz XABCOSBEIBZXQA-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1OC ZINC000020540889 401824392 /nfs/dbraw/zinc/82/43/92/401824392.db2.gz HNGUQNMFPRUZTD-AWEZNQCLSA-N 1 0 322.449 2.486 50 0 DEAARO CCC(CC)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741798 401847389 /nfs/dbraw/zinc/84/73/89/401847389.db2.gz HRMJKXQBTZASSG-UHFFFAOYSA-N 1 0 309.498 2.489 50 0 DEAARO CCCN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000027979781 401849503 /nfs/dbraw/zinc/84/95/03/401849503.db2.gz FNFJBBDDXBXVOF-UHFFFAOYSA-N 1 0 319.449 2.433 50 0 DEAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000028081679 401849939 /nfs/dbraw/zinc/84/99/39/401849939.db2.gz IRBZPKWBPRQSBT-NSHDSACASA-N 1 0 307.419 2.215 50 0 DEAARO CC[C@@H]([NH2+]CCOc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000028375330 401851807 /nfs/dbraw/zinc/85/18/07/401851807.db2.gz CCEPUQQTSPBZDA-CQSZACIVSA-N 1 0 303.362 2.369 50 0 DEAARO COCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000079358322 401872424 /nfs/dbraw/zinc/87/24/24/401872424.db2.gz AWGNOBHWBBSXCR-YJBOKZPZSA-N 1 0 320.433 2.231 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@H](C)Cn1cccn1)O[C@@H](C)C2 ZINC000030904465 401867264 /nfs/dbraw/zinc/86/72/64/401867264.db2.gz VOIANIOZHFSWHI-OLZOCXBDSA-N 1 0 301.390 2.393 50 0 DEAARO CC(C)(C)c1ccc(OCc2nc3c(c(=O)[nH]2)CC[NH2+]C3)cc1 ZINC000077386519 401813307 /nfs/dbraw/zinc/81/33/07/401813307.db2.gz DHHXQUAUEWVBMM-UHFFFAOYSA-N 1 0 313.401 2.292 50 0 DEAARO COCC[NH2+]CC[C@H]1CCC(=O)N1CCc1ccc(Cl)cc1 ZINC000014996130 401815310 /nfs/dbraw/zinc/81/53/10/401815310.db2.gz MRHMLQLVFVKWDF-MRXNPFEDSA-N 1 0 324.852 2.500 50 0 DEAARO CC(C)C(=O)N[C@@H](C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000042599583 401934042 /nfs/dbraw/zinc/93/40/42/401934042.db2.gz HITLJUALJQLKJJ-INIZCTEOSA-N 1 0 303.450 2.359 50 0 DEAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N(C)C)nc1 ZINC000031730029 401873379 /nfs/dbraw/zinc/87/33/79/401873379.db2.gz CACKRLWYUJZEEL-CQSZACIVSA-N 1 0 306.454 2.388 50 0 DEAARO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(C)[n+]1C ZINC000032739645 401882221 /nfs/dbraw/zinc/88/22/21/401882221.db2.gz HAHHKNKZALIZBE-NSHDSACASA-N 1 0 303.431 2.248 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 ZINC000133479608 401887968 /nfs/dbraw/zinc/88/79/68/401887968.db2.gz UIOGLVYFVYQJTK-YXMGTMDOSA-N 1 0 310.401 2.096 50 0 DEAARO COCCC[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccco1 ZINC000036096453 401901940 /nfs/dbraw/zinc/90/19/40/401901940.db2.gz NHEZHZNJIROMHF-HNNXBMFYSA-N 1 0 323.389 2.289 50 0 DEAARO COCCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COCC(C)C ZINC000036097851 401902776 /nfs/dbraw/zinc/90/27/76/401902776.db2.gz LHRNECVZXHFYCR-MRXNPFEDSA-N 1 0 313.438 2.460 50 0 DEAARO COCCC[N@@H+](Cc1cccs1)C[C@@H](O)COC(C)C ZINC000036096573 401902803 /nfs/dbraw/zinc/90/28/03/401902803.db2.gz OTSJDDYRYWTPBI-CQSZACIVSA-N 1 0 301.452 2.373 50 0 DEAARO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000084689590 401908886 /nfs/dbraw/zinc/90/88/86/401908886.db2.gz XBJJHQDGFPXVLS-KEYYUXOJSA-N 1 0 321.469 2.291 50 0 DEAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(O)cc1 ZINC000084735492 401909957 /nfs/dbraw/zinc/90/99/57/401909957.db2.gz DQMGGQHRPCRLAY-AWEZNQCLSA-N 1 0 306.406 2.152 50 0 DEAARO Cc1nc(CCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000044967716 401951822 /nfs/dbraw/zinc/95/18/22/401951822.db2.gz FRANUWYMOGYFTG-LBPRGKRZSA-N 1 0 310.467 2.025 50 0 DEAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccco2)on1 ZINC000044975743 401952515 /nfs/dbraw/zinc/95/25/15/401952515.db2.gz YWUBYYUQBPYHMN-DZGCQCFKSA-N 1 0 306.362 2.291 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000045744221 401961474 /nfs/dbraw/zinc/96/14/74/401961474.db2.gz FSWOFRJNCFGKGE-UHFFFAOYSA-N 1 0 314.426 2.287 50 0 DEAARO O=C(NCCc1cccnc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000089793960 401963993 /nfs/dbraw/zinc/96/39/93/401963993.db2.gz YXXYSVWRBNHBNE-QGZVFWFLSA-N 1 0 316.449 2.284 50 0 DEAARO COC(C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1)OC ZINC000136781890 401973564 /nfs/dbraw/zinc/97/35/64/401973564.db2.gz YBRYQADRTVCEFO-HNNXBMFYSA-N 1 0 305.374 2.434 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 ZINC000089937685 401974851 /nfs/dbraw/zinc/97/48/51/401974851.db2.gz LFWGCERQASXZBZ-SYTKJHMZSA-N 1 0 318.808 2.163 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000089937686 401975148 /nfs/dbraw/zinc/97/51/48/401975148.db2.gz HFCWSAWGKGCWLY-HMDXOVGESA-N 1 0 324.837 2.225 50 0 DEAARO CC(=O)N1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000089937406 401975241 /nfs/dbraw/zinc/97/52/41/401975241.db2.gz YYOXAHWGSFWBPW-CXAGYDPISA-N 1 0 300.402 2.309 50 0 DEAARO Cc1ccc2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc(=O)n2c1 ZINC000047405745 401981828 /nfs/dbraw/zinc/98/18/28/401981828.db2.gz RYTMXIRPFHLCDS-CQSZACIVSA-N 1 0 313.401 2.004 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1nc2ccccc2[nH]1 ZINC000047470751 401982690 /nfs/dbraw/zinc/98/26/90/401982690.db2.gz WCKPRAUQKFDOEX-CQSZACIVSA-N 1 0 314.433 2.486 50 0 DEAARO CCOC(=O)CCC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000138623491 401987851 /nfs/dbraw/zinc/98/78/51/401987851.db2.gz FDBXSADTMWNFAQ-CHWSQXEVSA-N 1 0 308.426 2.387 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCOC1 ZINC000047778207 401988571 /nfs/dbraw/zinc/98/85/71/401988571.db2.gz WUYIBTRQFNOTJA-CABCVRRESA-N 1 0 321.421 2.142 50 0 DEAARO c1nnc2ccc(NCc3cccc(C[NH+]4CCCC4)c3)nn12 ZINC000048261459 401996391 /nfs/dbraw/zinc/99/63/91/401996391.db2.gz AAKCMORNMSSPBB-UHFFFAOYSA-N 1 0 308.389 2.332 50 0 DEAARO CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1OC ZINC000089267900 401940923 /nfs/dbraw/zinc/94/09/23/401940923.db2.gz HLPSUGLHAXYIBX-XJKSGUPXSA-N 1 0 320.433 2.440 50 0 DEAARO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000093899718 402022029 /nfs/dbraw/zinc/02/20/29/402022029.db2.gz KEYFELZOAVUMHO-ZDUSSCGKSA-N 1 0 307.413 2.240 50 0 DEAARO CC(C)Cc1noc(CN(C)C(=O)[C@H]2CCCCC[N@@H+]2C)n1 ZINC000095366882 402028553 /nfs/dbraw/zinc/02/85/53/402028553.db2.gz SFQGNMWZRXUXJQ-CYBMUJFWSA-N 1 0 308.426 2.101 50 0 DEAARO Cc1nc2sccc2c(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000095370107 402029128 /nfs/dbraw/zinc/02/91/28/402029128.db2.gz PRIYADJSUGNPMA-KBPBESRZSA-N 1 0 318.446 2.035 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@]2(CCOC2)C1)N1CCc2ccccc21 ZINC000095372187 402029277 /nfs/dbraw/zinc/02/92/77/402029277.db2.gz NABKBFQTHYZNMG-GOSISDBHSA-N 1 0 300.402 2.078 50 0 DEAARO CC[NH+]1CCC(CC(=O)N2CCC(Cn3ccnc3)CC2)CC1 ZINC000095385079 402031118 /nfs/dbraw/zinc/03/11/18/402031118.db2.gz FRRALUDAAABLEM-UHFFFAOYSA-N 1 0 318.465 2.244 50 0 DEAARO O=C(NCCNc1cccnc1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095386637 402031288 /nfs/dbraw/zinc/03/12/88/402031288.db2.gz DSWMJEFJDBMRMP-QGZVFWFLSA-N 1 0 324.428 2.391 50 0 DEAARO Cc1ccnc(NCC2([NH+]3CCN(C)CC3)CCCCC2)n1 ZINC000095383035 402031297 /nfs/dbraw/zinc/03/12/97/402031297.db2.gz RUZKYKANRBJBNB-UHFFFAOYSA-N 1 0 303.454 2.147 50 0 DEAARO CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 ZINC000051202746 402032706 /nfs/dbraw/zinc/03/27/06/402032706.db2.gz ASWFJOLYOSBBBZ-UHFFFAOYSA-N 1 0 303.406 2.229 50 0 DEAARO O[C@@H](Cn1cc(-n2cccc2)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000095438863 402033237 /nfs/dbraw/zinc/03/32/37/402033237.db2.gz FJGDAYZOLTXABN-LJQANCHMSA-N 1 0 322.412 2.093 50 0 DEAARO Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000095967907 402038710 /nfs/dbraw/zinc/03/87/10/402038710.db2.gz VIAOQOIXLJPNTJ-NWDGAFQWSA-N 1 0 311.223 2.406 50 0 DEAARO Cc1ccccc1CS(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000095972623 402039322 /nfs/dbraw/zinc/03/93/22/402039322.db2.gz CWPGUHIHMRLFGA-INIZCTEOSA-N 1 0 304.415 2.114 50 0 DEAARO Cc1cnn(-c2cc[nH+]cc2NCc2cc(C(N)=O)cs2)c1 ZINC000095988529 402043300 /nfs/dbraw/zinc/04/33/00/402043300.db2.gz RKQOJABJAAOHND-UHFFFAOYSA-N 1 0 313.386 2.348 50 0 DEAARO CCN(CC[NH+]1CCCCCC1)C(=O)COc1cccnc1 ZINC000055060855 402074786 /nfs/dbraw/zinc/07/47/86/402074786.db2.gz MEXUYLBAZGBLQH-UHFFFAOYSA-N 1 0 305.422 2.185 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@H](O)Cc1ccccc1 ZINC000055119010 402076103 /nfs/dbraw/zinc/07/61/03/402076103.db2.gz DYWTWYRSMHNPDG-GOSISDBHSA-N 1 0 318.461 2.362 50 0 DEAARO Cn1cc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000055154188 402076474 /nfs/dbraw/zinc/07/64/74/402076474.db2.gz FWTMQFZSLIFPQU-MRXNPFEDSA-N 1 0 320.400 2.439 50 0 DEAARO Cc1ccsc1CN(CC(C)C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000055212034 402077791 /nfs/dbraw/zinc/07/77/91/402077791.db2.gz CHLHVPKRXLHUCD-CQSZACIVSA-N 1 0 310.463 2.420 50 0 DEAARO CC[C@@H](CO)[N@H+](Cc1cccnc1)Cc1cccc2nonc21 ZINC000055211953 402078044 /nfs/dbraw/zinc/07/80/44/402078044.db2.gz RVRZRRUMAOWISF-HNNXBMFYSA-N 1 0 312.373 2.391 50 0 DEAARO Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)ccc1F ZINC000096403835 402078245 /nfs/dbraw/zinc/07/82/45/402078245.db2.gz BFEITYKFLFSHRN-UHFFFAOYSA-N 1 0 301.365 2.439 50 0 DEAARO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)c(NC(=O)C(C)C)c1 ZINC000055253315 402078480 /nfs/dbraw/zinc/07/84/80/402078480.db2.gz BNWRMBXSBUBVBL-GFCCVEGCSA-N 1 0 319.405 2.228 50 0 DEAARO c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc1 ZINC000096410274 402079547 /nfs/dbraw/zinc/07/95/47/402079547.db2.gz DQEPFRKQAKGWJT-JTQLQIEISA-N 1 0 302.407 2.021 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000096415016 402081095 /nfs/dbraw/zinc/08/10/95/402081095.db2.gz RIFAMXIPNDJRAK-CQSZACIVSA-N 1 0 314.451 2.444 50 0 DEAARO OCCc1cn(C2CC[NH+](CCCc3ccccc3)CC2)nn1 ZINC000055393414 402081387 /nfs/dbraw/zinc/08/13/87/402081387.db2.gz PYEXHUDDJDHGJG-UHFFFAOYSA-N 1 0 314.433 2.083 50 0 DEAARO CSc1ccc(O[C@H](C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000096419967 402082287 /nfs/dbraw/zinc/08/22/87/402082287.db2.gz ZQICYUSJUZQOTG-GFCCVEGCSA-N 1 0 308.447 2.386 50 0 DEAARO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCC[C@H](C(F)(F)F)C1 ZINC000096424261 402083067 /nfs/dbraw/zinc/08/30/67/402083067.db2.gz PAUIMHAOTLDLHI-QWHCGFSZSA-N 1 0 322.371 2.024 50 0 DEAARO C[NH+](C)CCn1cc(NC(=O)NCc2cc(F)ccc2F)cn1 ZINC000096447203 402089457 /nfs/dbraw/zinc/08/94/57/402089457.db2.gz IEQPALOBFRQWTA-UHFFFAOYSA-N 1 0 323.347 2.045 50 0 DEAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC000096482582 402093984 /nfs/dbraw/zinc/09/39/84/402093984.db2.gz GRLOBOXOOUPIEQ-KRWDZBQOSA-N 1 0 318.417 2.324 50 0 DEAARO CCc1ccc([C@@H]([NH2+]CC(=O)N2CCNC2=O)C(C)(C)C)o1 ZINC000096491815 402095828 /nfs/dbraw/zinc/09/58/28/402095828.db2.gz MCYDBTCCOXRRAC-CQSZACIVSA-N 1 0 307.394 2.071 50 0 DEAARO CN(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O ZINC000096493136 402096594 /nfs/dbraw/zinc/09/65/94/402096594.db2.gz VLAWXSHDMKZQRF-CQSZACIVSA-N 1 0 316.854 2.272 50 0 DEAARO Cc1ccc([C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)N(C)C)cc1 ZINC000058304917 402099478 /nfs/dbraw/zinc/09/94/78/402099478.db2.gz REPRLXGMSDSSGS-DOTOQJQBSA-N 1 0 313.449 2.126 50 0 DEAARO Fc1ccc2c(CC[NH2+]C[C@H]3CNc4ccnn4C3)c[nH]c2c1 ZINC000058341315 402100197 /nfs/dbraw/zinc/10/01/97/402100197.db2.gz ARKQGEXAHPXIKY-LBPRGKRZSA-N 1 0 313.380 2.378 50 0 DEAARO Cc1ccc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)n1 ZINC000097058946 402103834 /nfs/dbraw/zinc/10/38/34/402103834.db2.gz XYHKAHAILRIWSA-YCRPNKLZSA-N 1 0 304.415 2.305 50 0 DEAARO CC(C)C[C@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097084734 402105607 /nfs/dbraw/zinc/10/56/07/402105607.db2.gz PUWFEZIYYCKXGI-MNOVXSKESA-N 1 0 322.438 2.427 50 0 DEAARO CC1([C@H]2CCC[N@H+](C[C@H](O)c3ccccc3F)C2)OCCO1 ZINC000097086576 402105776 /nfs/dbraw/zinc/10/57/76/402105776.db2.gz BSXVUZBTKWPDCA-BBRMVZONSA-N 1 0 309.381 2.334 50 0 DEAARO Cc1coc(-c2cccc(NC(=O)N3CC([NH+](C)C)C3)c2)n1 ZINC000097113374 402109028 /nfs/dbraw/zinc/10/90/28/402109028.db2.gz BWCJDZNIBSYRRP-UHFFFAOYSA-N 1 0 300.362 2.428 50 0 DEAARO O=C1CCCN1CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000097134544 402109680 /nfs/dbraw/zinc/10/96/80/402109680.db2.gz ZGCXWBZBSICFQZ-UHFFFAOYSA-N 1 0 304.419 2.240 50 0 DEAARO CCN(C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000097141755 402110781 /nfs/dbraw/zinc/11/07/81/402110781.db2.gz UKHOQSFIGSRMDT-DLBZAZTESA-N 1 0 319.449 2.062 50 0 DEAARO C[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097164419 402113380 /nfs/dbraw/zinc/11/33/80/402113380.db2.gz KLUJDJXYVWULPU-ZFWWWQNUSA-N 1 0 322.453 2.340 50 0 DEAARO O[C@H](COc1ccc(F)cc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202704 402116769 /nfs/dbraw/zinc/11/67/69/402116769.db2.gz CKGIUNZOMIGTHM-INIZCTEOSA-N 1 0 319.380 2.168 50 0 DEAARO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202703 402116917 /nfs/dbraw/zinc/11/69/17/402116917.db2.gz CKGIUNZOMIGTHM-MRXNPFEDSA-N 1 0 319.380 2.168 50 0 DEAARO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)c(F)c1 ZINC000097230757 402118819 /nfs/dbraw/zinc/11/88/19/402118819.db2.gz BRNWWCRBFYQDFM-MNOVXSKESA-N 1 0 305.390 2.481 50 0 DEAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000097233638 402119248 /nfs/dbraw/zinc/11/92/48/402119248.db2.gz GELCXZNEOZPOBM-ZIAGYGMSSA-N 1 0 308.426 2.118 50 0 DEAARO CCn1nc(-c2ccc(C)o2)nc1CN1CCC[N@H+](C)CC1 ZINC000096139767 402062306 /nfs/dbraw/zinc/06/23/06/402062306.db2.gz IQZKQYYJYCBZSD-UHFFFAOYSA-N 1 0 303.410 2.004 50 0 DEAARO Cc1c(C(=O)NCC[NH+]2CCCC2)c2cc(O)ccc2n1C ZINC000096151009 402062531 /nfs/dbraw/zinc/06/25/31/402062531.db2.gz CFBBNTDQBGRIRZ-UHFFFAOYSA-N 1 0 301.390 2.018 50 0 DEAARO CC[NH2+]CCNC(=O)c1ccc(Br)cc1Cl ZINC000054263048 402065363 /nfs/dbraw/zinc/06/53/63/402065363.db2.gz HERDUMNACACNST-UHFFFAOYSA-N 1 0 305.603 2.442 50 0 DEAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000097527382 402126870 /nfs/dbraw/zinc/12/68/70/402126870.db2.gz IMJTVGNJTYXMKP-AWEZNQCLSA-N 1 0 309.406 2.449 50 0 DEAARO C[C@H](NC(=O)C1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000097506123 402127029 /nfs/dbraw/zinc/12/70/29/402127029.db2.gz JFACLPCGOJZCKT-AWEZNQCLSA-N 1 0 316.445 2.199 50 0 DEAARO CC[N@H+](Cc1ccc2cccc(Cl)c2n1)[C@H]1COC[C@@H]1O ZINC000097575034 402127511 /nfs/dbraw/zinc/12/75/11/402127511.db2.gz JLFYHIBZHUAAFF-GJZGRUSLSA-N 1 0 306.793 2.470 50 0 DEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCCc2ccccc2F)C1 ZINC000097653999 402129283 /nfs/dbraw/zinc/12/92/83/402129283.db2.gz HEJKQBNCMVQLPV-INIZCTEOSA-N 1 0 322.424 2.374 50 0 DEAARO O[C@H]1COC2(C1)CC[NH+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000097717066 402131170 /nfs/dbraw/zinc/13/11/70/402131170.db2.gz BYZBJXBCOQMTIN-CYBMUJFWSA-N 1 0 313.344 2.404 50 0 DEAARO COc1cc2c(cc1CN1CCC[C@@H]([NH+](C)C)CC1)OCO2 ZINC000097711591 402131272 /nfs/dbraw/zinc/13/12/72/402131272.db2.gz JWWBRPQFIQHCGD-CQSZACIVSA-N 1 0 306.406 2.340 50 0 DEAARO Cc1n[nH]c(CN2CCC[N@H+](Cc3cccnc3)CC2)c1Cl ZINC000097815065 402132946 /nfs/dbraw/zinc/13/29/46/402132946.db2.gz WDNVQLOIKCCNMX-UHFFFAOYSA-N 1 0 319.840 2.474 50 0 DEAARO Cn1nc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000100018852 402139348 /nfs/dbraw/zinc/13/93/48/402139348.db2.gz MFWNKCLOYSRHCJ-ZSOGYDGISA-N 1 0 312.417 2.318 50 0 world DEAARO O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCC[NH+]1CCCCC1 ZINC000100587389 402141769 /nfs/dbraw/zinc/14/17/69/402141769.db2.gz MCJUKPTXPPKVLZ-ZIAGYGMSSA-N 1 0 310.825 2.380 50 0 DEAARO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000097371690 402123009 /nfs/dbraw/zinc/12/30/09/402123009.db2.gz ZZMGUKYIOKTZES-SJLPKXTDSA-N 1 0 324.424 2.500 50 0 DEAARO CC1CC[NH+](C[C@H](O)CNc2nccc(C(F)(F)F)n2)CC1 ZINC000067373329 402157898 /nfs/dbraw/zinc/15/78/98/402157898.db2.gz DMKQGHSBAXOWDE-LLVKDONJSA-N 1 0 318.343 2.000 50 0 DEAARO Cn1nc(-c2nc(CC3CC[NH+](C)CC3)no2)c2c1CCCC2 ZINC000067935207 402179007 /nfs/dbraw/zinc/17/90/07/402179007.db2.gz ZKBJZMZIEQCYOT-UHFFFAOYSA-N 1 0 315.421 2.233 50 0 DEAARO Cc1ccc2[nH]cc(-c3cc(N4CC[NH+](C)CC4)nc(N)n3)c2c1 ZINC000067948017 402179839 /nfs/dbraw/zinc/17/98/39/402179839.db2.gz FBTRDAGTSDZHNZ-UHFFFAOYSA-N 1 0 322.416 2.267 50 0 DEAARO COc1c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C(C)C)nn1C ZINC000069417282 286184093 /nfs/dbraw/zinc/18/40/93/286184093.db2.gz MVSYIVHMZHCGGZ-HUUCEWRRSA-N 1 0 306.454 2.269 50 0 DEAARO CCC[N@H+](CCO)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000068046023 402182823 /nfs/dbraw/zinc/18/28/23/402182823.db2.gz LINPGTIMZINRHF-XJKSGUPXSA-N 1 0 315.841 2.483 50 0 DEAARO CC1(C)CC(NC(=O)N2CCOC3(CCC3)C2)CC(C)(C)[NH2+]1 ZINC000124777207 402196564 /nfs/dbraw/zinc/19/65/64/402196564.db2.gz ARXAFHKQHKDBOY-UHFFFAOYSA-N 1 0 309.454 2.260 50 0 DEAARO CC[NH+](CC)CCn1ccnc1-c1ccc(S(C)(=O)=O)cc1 ZINC000067458470 402159598 /nfs/dbraw/zinc/15/95/98/402159598.db2.gz AVUYNHXURFXTNZ-UHFFFAOYSA-N 1 0 321.446 2.295 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@H]2CCO)cc1C ZINC000104336811 402202525 /nfs/dbraw/zinc/20/25/25/402202525.db2.gz PKKMOEPHICRAOU-GOSISDBHSA-N 1 0 318.461 2.425 50 0 DEAARO COc1nc(C)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)s1 ZINC000067675053 402166968 /nfs/dbraw/zinc/16/69/68/402166968.db2.gz REKDKQZHNNMPHV-GFCCVEGCSA-N 1 0 311.451 2.168 50 0 DEAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)C2CCOCC2)C1 ZINC000102539041 402168272 /nfs/dbraw/zinc/16/82/72/402168272.db2.gz MRGMDLUNYUFVEB-MRXNPFEDSA-N 1 0 316.445 2.360 50 0 DEAARO COc1ccc(F)c(-c2nc(CN3CC[NH2+]CC3)c(C)o2)c1 ZINC000067723824 402169672 /nfs/dbraw/zinc/16/96/72/402169672.db2.gz QJSQKKDKVKVBBL-UHFFFAOYSA-N 1 0 305.353 2.203 50 0 DEAARO OC[C@@H]1CC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067740850 402170982 /nfs/dbraw/zinc/17/09/82/402170982.db2.gz QFQSHOZWOBDELB-CQSZACIVSA-N 1 0 308.385 2.211 50 0 DEAARO C[C@@H](Nc1cc(CC[NH3+])ncn1)c1ccccc1-n1cccn1 ZINC000067754811 402171167 /nfs/dbraw/zinc/17/11/67/402171167.db2.gz GDOGWVWRWKBPLH-CYBMUJFWSA-N 1 0 308.389 2.337 50 0 DEAARO O=C(c1ccc(O)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000067803535 402173317 /nfs/dbraw/zinc/17/33/17/402173317.db2.gz RGQQXNWROAHFHM-UHFFFAOYSA-N 1 0 306.431 2.046 50 0 DEAARO O=C(NCCc1ccc(F)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067804980 402173534 /nfs/dbraw/zinc/17/35/34/402173534.db2.gz DJBYSKIFUBGPMX-QGZVFWFLSA-N 1 0 305.397 2.153 50 0 DEAARO O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067872435 402176778 /nfs/dbraw/zinc/17/67/78/402176778.db2.gz RMPAHCRBLBRTNI-INIZCTEOSA-N 1 0 308.809 2.190 50 0 DEAARO Cc1cccc2c(CC[NH2+][C@@H](C)CN3CCOCC3)c[nH]c21 ZINC000067878566 402177406 /nfs/dbraw/zinc/17/74/06/402177406.db2.gz TYQOZJMLLXHWEP-HNNXBMFYSA-N 1 0 301.434 2.329 50 0 DEAARO CCCCn1nc(C)c(C[NH2+]C[C@H]2CN(C)CCO2)c1Cl ZINC000069389917 402221571 /nfs/dbraw/zinc/22/15/71/402221571.db2.gz RUXIMNCNNNESCR-ZDUSSCGKSA-N 1 0 314.861 2.065 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000069463993 402225100 /nfs/dbraw/zinc/22/51/00/402225100.db2.gz BDDLPSOLMBTOJX-CQSZACIVSA-N 1 0 312.417 2.262 50 0 DEAARO CCCCn1nc(C)c(C[NH2+][C@@H]2CCc3ncnn3C2)c1Cl ZINC000069490889 402226180 /nfs/dbraw/zinc/22/61/80/402226180.db2.gz IURFKCTUZPBFQK-GFCCVEGCSA-N 1 0 322.844 2.341 50 0 DEAARO C[NH+](C)CCn1cc(NC(=O)/C=C/c2c(F)cccc2F)cn1 ZINC000069534151 402229890 /nfs/dbraw/zinc/22/98/90/402229890.db2.gz SJZOCROBKOZSOA-VOTSOKGWSA-N 1 0 320.343 2.375 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)[C@@H](C)n1cccn1 ZINC000069582883 402232528 /nfs/dbraw/zinc/23/25/28/402232528.db2.gz NWNYMNPDCYEOPJ-HZSPNIEDSA-N 1 0 320.462 2.231 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+][C@H](C(=O)NC(C)C)c2ccccc2)c1 ZINC000069624864 402234922 /nfs/dbraw/zinc/23/49/22/402234922.db2.gz ZUYHFJZFQUKTGI-WBVHZDCISA-N 1 0 314.433 2.436 50 0 DEAARO Cc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000069657743 402237335 /nfs/dbraw/zinc/23/73/35/402237335.db2.gz GKROLXFRCUOUGX-CYBMUJFWSA-N 1 0 324.856 2.406 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2cc(OC)ccc2OC)CC1 ZINC000069665819 402237823 /nfs/dbraw/zinc/23/78/23/402237823.db2.gz 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Cc1ccsc1CN(Cc1ccccn1)C[C@]1(O)CC[NH2+]C1 ZINC000077386979 302302054 /nfs/dbraw/zinc/30/20/54/302302054.db2.gz AQPUYEIWSZHQRB-KRWDZBQOSA-N 1 0 317.458 2.178 50 0 DEAARO Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)cc(C)n1 ZINC000534645504 334306977 /nfs/dbraw/zinc/30/69/77/334306977.db2.gz NYZCWRDJDWIVQL-UHFFFAOYSA-N 1 0 303.435 2.445 50 0 DEAARO Cn1ccnc1[C@H](NC(=O)C[NH+]1CCCCCCC1)C1CC1 ZINC000534637109 334309658 /nfs/dbraw/zinc/30/96/58/334309658.db2.gz SGBIZMDGYODFLC-MRXNPFEDSA-N 1 0 304.438 2.254 50 0 DEAARO Cc1cnc(C)c(NCC2([NH+]3CCN(C)CC3)CCCC2)n1 ZINC000534675142 334319610 /nfs/dbraw/zinc/31/96/10/334319610.db2.gz DBRRHRRKOIMTLU-UHFFFAOYSA-N 1 0 303.454 2.066 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000022999782 337350887 /nfs/dbraw/zinc/35/08/87/337350887.db2.gz HVEPLLKJSMENJC-UHFFFAOYSA-N 1 0 316.854 2.101 50 0 DEAARO CCCOc1cc(C)ccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000097230747 337382491 /nfs/dbraw/zinc/38/24/91/337382491.db2.gz SDAMPEIBEDAORX-HNNXBMFYSA-N 1 0 311.447 2.451 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000097378879 337382882 /nfs/dbraw/zinc/38/28/82/337382882.db2.gz ZLHMPQHECKCFLB-SRABZTEZSA-N 1 0 302.418 2.048 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2F)C[C@H]1CC ZINC000133353823 337383266 /nfs/dbraw/zinc/38/32/66/337383266.db2.gz VAVVVRSWFQGDAZ-CYBMUJFWSA-N 1 0 324.400 2.185 50 0 DEAARO COc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292474086 534112639 /nfs/dbraw/zinc/11/26/39/534112639.db2.gz BCWOBIOJNPDDII-KRWDZBQOSA-N 1 0 319.405 2.263 50 0 DEAARO C[C@@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000188475211 534302655 /nfs/dbraw/zinc/30/26/55/534302655.db2.gz KKFUNSSETUYOGR-SNVBAGLBSA-N 1 0 300.761 2.068 50 0 DEAARO CCCCn1nc(C)c(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)c1Cl ZINC000493140486 535155715 /nfs/dbraw/zinc/15/57/15/535155715.db2.gz MWJCVPHHQCKISS-FOQNGQEVSA-N 1 0 310.829 2.218 50 0 DEAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3nccn3C)C2)c1 ZINC000020599870 625057751 /nfs/dbraw/zinc/05/77/51/625057751.db2.gz XYMMMROQHWLSHJ-INIZCTEOSA-N 1 0 314.433 2.183 50 0 DEAARO CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)O1 ZINC000012034488 635963237 /nfs/dbraw/zinc/96/32/37/635963237.db2.gz JNVVCUWBKSTAIZ-KRWDZBQOSA-N 1 0 320.408 2.475 50 0 DEAARO Cc1cccc2ncc(C(=O)NC(C)(C)CCC[NH+](C)C)n21 ZINC000857841928 652183529 /nfs/dbraw/zinc/18/35/29/652183529.db2.gz LDCHLQPIFPICTB-UHFFFAOYSA-N 1 0 302.422 2.493 50 0 DEAARO CNc1ncccc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020783063 683859513 /nfs/dbraw/zinc/85/95/13/683859513.db2.gz NYGRTDBMBQVCJA-UHFFFAOYSA-N 1 0 322.372 2.189 50 0 DEAARO NC(=O)[C@@H]1CC=CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055344123 683922328 /nfs/dbraw/zinc/92/23/28/683922328.db2.gz DJMXDGCPBQWKJI-CABCVRRESA-N 1 0 314.364 2.126 50 0 DEAARO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000055386936 683922449 /nfs/dbraw/zinc/92/24/49/683922449.db2.gz MVPQZSAXKQHUIG-CABCVRRESA-N 1 0 310.825 2.047 50 0 DEAARO C[NH+]1CCN(Cc2ccccc2Oc2ccc(C#N)cn2)CC1 ZINC000067934518 683925481 /nfs/dbraw/zinc/92/54/81/683925481.db2.gz LATKYHXMEPNKPZ-UHFFFAOYSA-N 1 0 308.385 2.493 50 0 DEAARO Cc1ccc(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000194159093 685057845 /nfs/dbraw/zinc/05/78/45/685057845.db2.gz DUHUUBPKIPKSAC-UHFFFAOYSA-N 1 0 309.413 2.107 50 0 DEAARO Cc1nnc2n1C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000675020450 778336826 /nfs/dbraw/zinc/33/68/26/778336826.db2.gz RWPZPKVRMGHIHI-JKSUJKDBSA-N 1 0 310.401 2.111 50 0 DEAARO O=C(Cc1cccnc1)NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827854378 783699155 /nfs/dbraw/zinc/69/91/55/783699155.db2.gz PBJCZBMOCDFZIQ-INIZCTEOSA-N 1 0 313.401 2.246 50 0 DEAARO CCn1ccc(C(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3C)C2)n1 ZINC000581808350 784785524 /nfs/dbraw/zinc/78/55/24/784785524.db2.gz RYRLYPZDGRCCRZ-HNNXBMFYSA-N 1 0 315.421 2.269 50 0 DEAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000581807461 784786043 /nfs/dbraw/zinc/78/60/43/784786043.db2.gz HNHLDTQDQPZVEW-QGZVFWFLSA-N 1 0 313.401 2.490 50 0 DEAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000581807459 784786250 /nfs/dbraw/zinc/78/62/50/784786250.db2.gz HNHLDTQDQPZVEW-KRWDZBQOSA-N 1 0 313.401 2.490 50 0 DEAARO COCCC(=O)N1CCOc2ccc(C[NH+]3CCCC3)cc2C1 ZINC000581819953 784789314 /nfs/dbraw/zinc/78/93/14/784789314.db2.gz PHHLPHGFXPNJKT-UHFFFAOYSA-N 1 0 318.417 2.040 50 0 DEAARO CC[C@H](CO)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000584908792 789635100 /nfs/dbraw/zinc/63/51/00/789635100.db2.gz DPXHIMNXXJZTIZ-DOTOQJQBSA-N 1 0 304.434 2.128 50 0 DEAARO COCOc1ccc(OC)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000585116625 789703423 /nfs/dbraw/zinc/70/34/23/789703423.db2.gz CURPAMOUXGVEDQ-OAHLLOKOSA-N 1 0 309.406 2.415 50 0 DEAARO CCOc1cccc(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)c1 ZINC000585121158 789707715 /nfs/dbraw/zinc/70/77/15/789707715.db2.gz HKRYGGSULRSWDG-OAHLLOKOSA-N 1 0 320.433 2.202 50 0 DEAARO COc1cc(OC)c(OC)cc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C ZINC000043164438 791238199 /nfs/dbraw/zinc/23/81/99/791238199.db2.gz SSEQCNMXUZEZGH-UKRRQHHQSA-N 1 0 320.433 2.381 50 0 DEAARO CCc1cnc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)nc1 ZINC000952854439 792779459 /nfs/dbraw/zinc/77/94/59/792779459.db2.gz IPERGHSNOCOWCW-LSDHHAIUSA-N 1 0 307.463 2.178 50 0 DEAARO Fc1ccc(-n2cc(C[NH2+]CCSc3nc[nH]n3)cn2)cc1 ZINC000952872789 792790070 /nfs/dbraw/zinc/79/00/70/792790070.db2.gz TXSINQVYLPSBDP-UHFFFAOYSA-N 1 0 318.381 2.011 50 0 DEAARO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000952876261 792792179 /nfs/dbraw/zinc/79/21/79/792792179.db2.gz IWNIGGXZUKZIJQ-KEYYUXOJSA-N 1 0 300.406 2.469 50 0 DEAARO c1cc2nonc2c(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC000952962310 792806889 /nfs/dbraw/zinc/80/68/89/792806889.db2.gz DMCRRZCABONLAS-UHFFFAOYSA-N 1 0 323.400 2.326 50 0 DEAARO Cc1nnc(NCC[N@@H+]2CCC[C@@H](CO)C2)c2ccccc12 ZINC000952976937 792839736 /nfs/dbraw/zinc/83/97/36/792839736.db2.gz RAFRDFMMRVBCLC-CQSZACIVSA-N 1 0 300.406 2.054 50 0 DEAARO Cc1ccsc1[C@H](CNC(=O)CCc1cn[nH]c1)[NH+](C)C ZINC000952986335 792867175 /nfs/dbraw/zinc/86/71/75/792867175.db2.gz LBSLEJMQWUJYQA-ZDUSSCGKSA-N 1 0 306.435 2.131 50 0 DEAARO COc1ccc(C[N@H+]2C[C@@H](Cc3cc(C)no3)[C@H](O)C2)cc1F ZINC001529114617 1070866431 /nfs/dbraw/zinc/86/64/31/1070866431.db2.gz QZKYZTZEJLXDCQ-CZUORRHYSA-N 1 0 320.364 2.166 50 0 DEAARO Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC001506396545 1061934843 /nfs/dbraw/zinc/93/48/43/1061934843.db2.gz UPNRKZLGDATYJS-ZDUSSCGKSA-N 1 0 314.389 2.470 50 0 DEAARO c1ccc(N2CC[C@@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC001506395732 1061937512 /nfs/dbraw/zinc/93/75/12/1061937512.db2.gz LVFUTSYKUMHCNP-OAHLLOKOSA-N 1 0 320.400 2.031 50 0 DEAARO COc1ccc(NC(C)(C)C(=O)N2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC001506415497 1061958204 /nfs/dbraw/zinc/95/82/04/1061958204.db2.gz OXHCESUBEFZJLV-HIFRSBDPSA-N 1 0 317.433 2.096 50 0 DEAARO CC(C)[C@H](CNC(=O)c1onc2c1CCCC2)[NH+]1CCCC1 ZINC000820696219 1090561562 /nfs/dbraw/zinc/56/15/62/1090561562.db2.gz BXHMOSZDMIJRIY-HNNXBMFYSA-N 1 0 305.422 2.404 50 0 DEAARO CCc1nc([C@@H]([NH3+])Cc2ccc(O)cc2)n(CC(F)(F)F)n1 ZINC000823560477 1090688507 /nfs/dbraw/zinc/68/85/07/1090688507.db2.gz KHYWUMYWRRUEBV-NSHDSACASA-N 1 0 314.311 2.351 50 0 DEAARO COc1cc(C[N@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)ccc1F ZINC000095500039 185374842 /nfs/dbraw/zinc/37/48/42/185374842.db2.gz SJPHPGZWQYCGPZ-GOEBONIOSA-N 1 0 308.397 2.427 50 0 DEAARO Cc1cc(C)n(C2CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000095511764 185376130 /nfs/dbraw/zinc/37/61/30/185376130.db2.gz JGQJBEOQJLFZHB-UHFFFAOYSA-N 1 0 304.438 2.004 50 0 DEAARO O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)C1CC1 ZINC000077104118 185108301 /nfs/dbraw/zinc/10/83/01/185108301.db2.gz UWPMNVUITMTTFN-UHFFFAOYSA-N 1 0 314.476 2.009 50 0 DEAARO Cc1n[nH]cc1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000078966995 185136324 /nfs/dbraw/zinc/13/63/24/185136324.db2.gz BQMPDSUYDVTOIE-INIZCTEOSA-N 1 0 312.417 2.455 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CC[NH2+]1 ZINC000088058957 185238196 /nfs/dbraw/zinc/23/81/96/185238196.db2.gz KQVWSNQAJAXWFB-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000089959062 185271622 /nfs/dbraw/zinc/27/16/22/185271622.db2.gz MLQNUJKNNRGUHZ-UHFFFAOYSA-N 1 0 324.396 2.401 50 0 DEAARO C[C@H](COc1ccc(F)c(F)c1)[NH2+]C[C@@H](O)C1CCOCC1 ZINC000090053820 185279834 /nfs/dbraw/zinc/27/98/34/185279834.db2.gz MACRLGPDAAPLCW-BDJLRTHQSA-N 1 0 315.360 2.109 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000090411114 185294758 /nfs/dbraw/zinc/29/47/58/185294758.db2.gz QNMIHQPZCYSEJP-UKRRQHHQSA-N 1 0 321.396 2.433 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000090412185 185295115 /nfs/dbraw/zinc/29/51/15/185295115.db2.gz QFXDLKAFJFWKMR-YPMHNXCESA-N 1 0 309.385 2.289 50 0 DEAARO C[C@@H](C(=O)NCCCCc1cnn(C)c1)[NH+]1CCCCCC1 ZINC000095404221 185355099 /nfs/dbraw/zinc/35/50/99/185355099.db2.gz WRSMPFCRSDXQHJ-HNNXBMFYSA-N 1 0 306.454 2.124 50 0 DEAARO CC(C)N1CCC[C@@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)C1=O ZINC000095407283 185356344 /nfs/dbraw/zinc/35/63/44/185356344.db2.gz JDVIQHIKDDHHTA-OAHLLOKOSA-N 1 0 324.465 2.440 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1CNc1ccc2nnc(C3CC3)n2n1 ZINC000095408837 185356709 /nfs/dbraw/zinc/35/67/09/185356709.db2.gz QNQNLGYQHGUBIM-ZDUSSCGKSA-N 1 0 300.410 2.288 50 0 DEAARO C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000095430467 185362925 /nfs/dbraw/zinc/36/29/25/185362925.db2.gz WPUVSQCGQQWGMJ-UTUOFQBUSA-N 1 0 316.409 2.010 50 0 DEAARO COC(=O)c1oc([C@@H](C)[NH+]2CCC(NC(C)=O)CC2)cc1C ZINC000095432493 185363756 /nfs/dbraw/zinc/36/37/56/185363756.db2.gz WVSOIJXRBBOXPB-LLVKDONJSA-N 1 0 308.378 2.036 50 0 DEAARO CC(C)OC1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095434917 185364449 /nfs/dbraw/zinc/36/44/49/185364449.db2.gz KCULTCVYKHXGEX-QQFBHYJXSA-N 1 0 311.470 2.364 50 0 DEAARO C[C@H]([NH2+]CC1(O)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000095422363 185360995 /nfs/dbraw/zinc/36/09/95/185360995.db2.gz DLFZQANKOPRKOD-FUHWJXTLSA-N 1 0 318.461 2.171 50 0 DEAARO C[N@@H+]1CCN2CCN(Cc3cc4ccccc4s3)C[C@H]2C1 ZINC000244774194 529779003 /nfs/dbraw/zinc/77/90/03/529779003.db2.gz PPKIQSUJVKUUPN-OAHLLOKOSA-N 1 0 301.459 2.333 50 0 DEAARO COc1ccc2oc(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448655 185368547 /nfs/dbraw/zinc/36/85/47/185368547.db2.gz LMXCSVHOAPXFTI-RHSMWYFYSA-N 1 0 316.401 2.394 50 0 DEAARO c1ccc(N2CCC([NH+]3CCN(c4cccnn4)CC3)CC2)cc1 ZINC000095457083 185370233 /nfs/dbraw/zinc/37/02/33/185370233.db2.gz YSKOTWMCMDXSLH-UHFFFAOYSA-N 1 0 323.444 2.268 50 0 DEAARO Cn1cc([C@](C)(O)C[NH2+][C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000097033360 185399581 /nfs/dbraw/zinc/39/95/81/185399581.db2.gz VHVUXDXJKBVCRA-IAGOWNOFSA-N 1 0 303.381 2.434 50 0 DEAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CCc3ccccn3)C2)o1 ZINC000084258887 539394395 /nfs/dbraw/zinc/39/43/95/539394395.db2.gz NZYDJXOSBJEGJL-INIZCTEOSA-N 1 0 300.406 2.127 50 0 DEAARO NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cc1cccc2ccccc21 ZINC000084598386 539396382 /nfs/dbraw/zinc/39/63/82/539396382.db2.gz VMUNMAZBFANLIN-HNNXBMFYSA-N 1 0 311.385 2.042 50 0 DEAARO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000106918489 185463428 /nfs/dbraw/zinc/46/34/28/185463428.db2.gz BZULBLVMDUINRW-ZMSDIMECSA-N 1 0 324.490 2.267 50 0 DEAARO CCCc1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000084759037 539398352 /nfs/dbraw/zinc/39/83/52/539398352.db2.gz BMGNPZLGKZAJCL-HUBLWGQQSA-N 1 0 319.409 2.184 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 ZINC000084714891 539398443 /nfs/dbraw/zinc/39/84/43/539398443.db2.gz PQCJAFHPGVNZHI-GUYCJALGSA-N 1 0 302.418 2.432 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnsn2)[C@H]1c1cccs1 ZINC000247412557 530054971 /nfs/dbraw/zinc/05/49/71/530054971.db2.gz NILKWJARXKZRNY-GWCFXTLKSA-N 1 0 322.459 2.413 50 0 DEAARO Cc1ccc(OC[C@H](O)CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000229246118 201826982 /nfs/dbraw/zinc/82/69/82/201826982.db2.gz ADFCPVAAJCASAK-QZTJIDSGSA-N 1 0 318.461 2.295 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccco2)on1 ZINC000229386069 201834036 /nfs/dbraw/zinc/83/40/36/201834036.db2.gz LAPOVHORYHTNJT-YPMHNXCESA-N 1 0 301.346 2.291 50 0 DEAARO O=C(c1cn2ccsc2n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071738668 191018840 /nfs/dbraw/zinc/01/88/40/191018840.db2.gz VHFBQXYNNJOIQQ-UHFFFAOYSA-N 1 0 304.419 2.002 50 0 DEAARO O=C(c1ccon1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071748631 191021368 /nfs/dbraw/zinc/02/13/68/191021368.db2.gz BRJNLPKKIOUICD-CGTJXYLNSA-N 1 0 323.396 2.377 50 0 DEAARO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000138623375 186017976 /nfs/dbraw/zinc/01/79/76/186017976.db2.gz FDBXSADTMWNFAQ-STQMWFEESA-N 1 0 308.426 2.387 50 0 DEAARO Cc1nccn1CCN(C)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072144215 191051002 /nfs/dbraw/zinc/05/10/02/191051002.db2.gz HJQMUOOYZFUABU-OAHLLOKOSA-N 1 0 312.417 2.041 50 0 DEAARO COCC1(NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CCCC1 ZINC000072159045 191061976 /nfs/dbraw/zinc/06/19/76/191061976.db2.gz JKAOWPHTGLQGDP-CQSZACIVSA-N 1 0 302.418 2.453 50 0 DEAARO O=C(CCC[NH2+]Cc1ccccc1)N1CCCn2cncc2C1 ZINC000072158733 191060437 /nfs/dbraw/zinc/06/04/37/191060437.db2.gz OBPCKMATNQRKFB-UHFFFAOYSA-N 1 0 312.417 2.185 50 0 DEAARO CCCc1nc2c(cnn2C)c(N(C)C[C@@H]2CCCC[N@@H+]2C)n1 ZINC000072165594 191065306 /nfs/dbraw/zinc/06/53/06/191065306.db2.gz IRKHAPLJVQSNDR-ZDUSSCGKSA-N 1 0 316.453 2.236 50 0 DEAARO COc1cccc([C@@H]2CCCC[N@@H+]2CCCn2cnnn2)c1 ZINC000072168894 191068451 /nfs/dbraw/zinc/06/84/51/191068451.db2.gz OQWUCBJSQBMVEU-INIZCTEOSA-N 1 0 301.394 2.299 50 0 DEAARO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)O ZINC000225678060 186288747 /nfs/dbraw/zinc/28/87/47/186288747.db2.gz AZDXNZCBCOEAGK-SFHVURJKSA-N 1 0 320.477 2.370 50 0 DEAARO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072418199 191157396 /nfs/dbraw/zinc/15/73/96/191157396.db2.gz SGJZASHDCBRSCH-KRWDZBQOSA-N 1 0 304.390 2.426 50 0 DEAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2 ZINC000000073940 180684614 /nfs/dbraw/zinc/68/46/14/180684614.db2.gz JDYCICJALHBSHQ-ZDUSSCGKSA-N 1 0 305.374 2.489 50 0 DEAARO Cc1[nH]c2c(cccc2C[N@H+]2CC[C@@](O)(CN(C)C)C2)c1C ZINC000072434506 191166293 /nfs/dbraw/zinc/16/62/93/191166293.db2.gz WINKWKWHOOFERT-GOSISDBHSA-N 1 0 301.434 2.283 50 0 DEAARO Cc1nc2c(c(NCc3ccc4c(c3)C[C@@H](C)O4)n1)CC[NH2+]CC2 ZINC000072439266 191167886 /nfs/dbraw/zinc/16/78/86/191167886.db2.gz PQDRHGSDXIWJHQ-GFCCVEGCSA-N 1 0 324.428 2.409 50 0 DEAARO Nc1ncccc1C[N@@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072463108 191172202 /nfs/dbraw/zinc/17/22/02/191172202.db2.gz FDIRULZHCDFRIR-UHFFFAOYSA-N 1 0 324.432 2.089 50 0 DEAARO CN(C(=O)c1ccc(CCC(C)(C)O)cc1)[C@H]1CC[N@H+](C)C1 ZINC000072476657 191178305 /nfs/dbraw/zinc/17/83/05/191178305.db2.gz QDZBLEAMCQSVAK-INIZCTEOSA-N 1 0 304.434 2.166 50 0 DEAARO C[C@H](NCCC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000003338922 181008233 /nfs/dbraw/zinc/00/82/33/181008233.db2.gz KHKKKTQEVMUUSV-JTQLQIEISA-N 1 0 301.793 2.347 50 0 DEAARO C[NH+]1CCN(CCOCCOc2cccc3ccccc32)CC1 ZINC000022937505 354056838 /nfs/dbraw/zinc/05/68/38/354056838.db2.gz HMUBIUZFSFGCOK-UHFFFAOYSA-N 1 0 314.429 2.483 50 0 DEAARO O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 ZINC000004680088 181135750 /nfs/dbraw/zinc/13/57/50/181135750.db2.gz ZWGBPLNDHYFUOB-OAHLLOKOSA-N 1 0 316.307 2.387 50 0 DEAARO CC(C)NC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255889 354680854 /nfs/dbraw/zinc/68/08/54/354680854.db2.gz FSPNMAPVFRSDNJ-KRWDZBQOSA-N 1 0 324.428 2.371 50 0 DEAARO Cc1ncc(C[NH2+]CCC(=O)NC(C)C)n1-c1ccccc1 ZINC000075093158 355067394 /nfs/dbraw/zinc/06/73/94/355067394.db2.gz WYJZBQZPWDPRNK-UHFFFAOYSA-N 1 0 300.406 2.185 50 0 DEAARO COc1c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C)nn1C ZINC000075094558 355068263 /nfs/dbraw/zinc/06/82/63/355068263.db2.gz JUUOAJIJHRKTIY-CYBMUJFWSA-N 1 0 320.437 2.330 50 0 DEAARO Cn1c(C[NH3+])nnc1Sc1nc(C(F)F)nc2ccccc21 ZINC000075110061 355068980 /nfs/dbraw/zinc/06/89/80/355068980.db2.gz LBFSTAIBYPJDLR-UHFFFAOYSA-N 1 0 322.344 2.306 50 0 DEAARO C[NH+](C)[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CO ZINC000075876324 355111279 /nfs/dbraw/zinc/11/12/79/355111279.db2.gz GQZOXRWXZFYFOF-UKRRQHHQSA-N 1 0 316.367 2.450 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cscn1 ZINC000076042664 355120449 /nfs/dbraw/zinc/12/04/49/355120449.db2.gz AJLUKFRRKHYHHD-WFASDCNBSA-N 1 0 306.435 2.361 50 0 DEAARO [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000358738403 540097073 /nfs/dbraw/zinc/09/70/73/540097073.db2.gz AELKEIKTKWGFBK-ZDUSSCGKSA-N 1 0 302.305 2.235 50 0 DEAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC000075681183 355102064 /nfs/dbraw/zinc/10/20/64/355102064.db2.gz YOXAJKJZYWDSNX-YJBOKZPZSA-N 1 0 316.445 2.327 50 0 DEAARO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CC1 ZINC000078990135 355290181 /nfs/dbraw/zinc/29/01/81/355290181.db2.gz DYBCRSZEEJQCPJ-CYBMUJFWSA-N 1 0 320.408 2.131 50 0 DEAARO c1cncc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)c1 ZINC000080593634 355372896 /nfs/dbraw/zinc/37/28/96/355372896.db2.gz JDTQZBJSRBROMO-UHFFFAOYSA-N 1 0 303.450 2.454 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000083973244 355471715 /nfs/dbraw/zinc/47/17/15/355471715.db2.gz WSSLODVWLBAHSB-SZMVWBNQSA-N 1 0 314.429 2.495 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000089555784 355536710 /nfs/dbraw/zinc/53/67/10/355536710.db2.gz NQLOOWBKEMMBMV-JQHSSLGASA-N 1 0 316.445 2.377 50 0 DEAARO CC[C@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1[NH+](C)C ZINC000089948572 355549552 /nfs/dbraw/zinc/54/95/52/355549552.db2.gz CYZQQBPYDKVIDE-DZGCQCFKSA-N 1 0 304.438 2.321 50 0 DEAARO Cc1nn(C)cc1C[NH2+][C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000096000239 355698103 /nfs/dbraw/zinc/69/81/03/355698103.db2.gz VMKPMFDQLLTKFE-MRXNPFEDSA-N 1 0 322.416 2.092 50 0 DEAARO O=C1CCCc2c(OC[C@H](O)C[NH2+]C3CCCC3)cccc21 ZINC000096028039 355698357 /nfs/dbraw/zinc/69/83/57/355698357.db2.gz HLYKKYVFFKUOPU-CQSZACIVSA-N 1 0 303.402 2.478 50 0 DEAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)c2cnn(C)c2)cc1 ZINC000096478297 355699177 /nfs/dbraw/zinc/69/91/77/355699177.db2.gz RQZPVTXIGZYQMM-LBTNJELSSA-N 1 0 317.433 2.418 50 0 DEAARO CC(C)c1nn(C)cc1CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000097234203 355703404 /nfs/dbraw/zinc/70/34/04/355703404.db2.gz FBNIOXUOMICGML-HNNXBMFYSA-N 1 0 300.406 2.202 50 0 DEAARO CC(C)[NH+]1CCC(NCc2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000097238366 355704103 /nfs/dbraw/zinc/70/41/03/355704103.db2.gz INMYAZRWNVXFPM-QGZVFWFLSA-N 1 0 319.449 2.212 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)nc2)C[C@@H]1CC ZINC000133051607 355854080 /nfs/dbraw/zinc/85/40/80/355854080.db2.gz LIVPSCMSFOBDAV-INIZCTEOSA-N 1 0 320.437 2.355 50 0 DEAARO Cc1cccc(C2CC([NH2+][C@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000154171300 355941379 /nfs/dbraw/zinc/94/13/79/355941379.db2.gz HYGODSVBNQGRLA-IPJUCJBFSA-N 1 0 301.478 2.467 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)Cc2ccccc2)CC1 ZINC000169751034 355980265 /nfs/dbraw/zinc/98/02/65/355980265.db2.gz PITCXTVDMBBAKD-KRWDZBQOSA-N 1 0 316.445 2.188 50 0 DEAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccon2)CC1 ZINC000183484610 356173694 /nfs/dbraw/zinc/17/36/94/356173694.db2.gz VBYXDLOKPCQMGY-GFCCVEGCSA-N 1 0 315.377 2.417 50 0 DEAARO Cc1noc([C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C(C)C)n1 ZINC000187168221 356213197 /nfs/dbraw/zinc/21/31/97/356213197.db2.gz YEYIYMJLWISHTD-ZDUSSCGKSA-N 1 0 323.441 2.201 50 0 DEAARO CC[C@H](O)C[NH+]1CCN(c2cccc(OC(F)F)c2)CC1 ZINC000252494360 356334643 /nfs/dbraw/zinc/33/46/43/356334643.db2.gz NTMGXECWBXKLOO-ZDUSSCGKSA-N 1 0 300.349 2.181 50 0 DEAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000253370441 356336433 /nfs/dbraw/zinc/33/64/33/356336433.db2.gz QYHWILUPDAMZAA-STQMWFEESA-N 1 0 317.437 2.475 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N(CCO)Cc2ccccc2)CC1 ZINC000005685965 181272182 /nfs/dbraw/zinc/27/21/82/181272182.db2.gz SMTNHMDBLXGWNX-UHFFFAOYSA-N 1 0 318.461 2.376 50 0 DEAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)O[C@@H](C)C2 ZINC000236862984 202042373 /nfs/dbraw/zinc/04/23/73/202042373.db2.gz VFKBEAHMXZEKOT-YWPYICTPSA-N 1 0 318.417 2.152 50 0 DEAARO COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237081082 202145957 /nfs/dbraw/zinc/14/59/57/202145957.db2.gz KSPFNILRGFNGCK-VXGBXAGGSA-N 1 0 310.825 2.477 50 0 DEAARO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000237106915 202155775 /nfs/dbraw/zinc/15/57/75/202155775.db2.gz KJCZYHNSKMGULZ-CYBMUJFWSA-N 1 0 320.824 2.451 50 0 DEAARO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCc4nn[nH]c4C3)n2)cc1 ZINC000585095658 540256310 /nfs/dbraw/zinc/25/63/10/540256310.db2.gz YZDQDTLBWYGFGH-ZDUSSCGKSA-N 1 0 324.388 2.189 50 0 DEAARO CC(C)[C@H]([NH2+]CC(=O)N1CCCCC1)[C@H](O)c1ccccc1 ZINC000390834632 356711353 /nfs/dbraw/zinc/71/13/53/356711353.db2.gz JLESNJIVHSFKKF-ZWKOTPCHSA-N 1 0 304.434 2.347 50 0 DEAARO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]([NH3+])CCSC)C2)cc1 ZINC000237228735 202196940 /nfs/dbraw/zinc/19/69/40/202196940.db2.gz ANWFZRYLZBRCOV-XPKDYRNWSA-N 1 0 322.474 2.480 50 0 DEAARO O=C(CCc1cn[nH]c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000584886971 357325314 /nfs/dbraw/zinc/32/53/14/357325314.db2.gz VULHSFYBLJKOTO-UHFFFAOYSA-N 1 0 312.417 2.255 50 0 DEAARO CC(C)C1=NO[C@H](C(=O)N2CC[NH+](CC3CCCC3)CC2)C1 ZINC000584889545 357325732 /nfs/dbraw/zinc/32/57/32/357325732.db2.gz WCUWMWGXPVIVBE-INIZCTEOSA-N 1 0 307.438 2.122 50 0 DEAARO Cc1csc(CCNC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)n1 ZINC000584896461 357329536 /nfs/dbraw/zinc/32/95/36/357329536.db2.gz WSUYLNLGCUSLFU-CYBMUJFWSA-N 1 0 322.478 2.262 50 0 DEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCCN(c2ccccc2)CC1 ZINC000584899935 357330453 /nfs/dbraw/zinc/33/04/53/357330453.db2.gz ZFKMLEPWOWQEAD-AEFFLSMTSA-N 1 0 313.445 2.210 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000178514985 198881079 /nfs/dbraw/zinc/88/10/79/198881079.db2.gz AUYDXWDNMPVFAI-VIFPVBQESA-N 1 0 303.189 2.179 50 0 DEAARO NC(=O)[C@H](c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069491384 283344840 /nfs/dbraw/zinc/34/48/40/283344840.db2.gz WGVVZHBIPNZFBA-KRWDZBQOSA-N 1 0 301.434 2.021 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC000237337550 202236434 /nfs/dbraw/zinc/23/64/34/202236434.db2.gz CAKDWXCQKNRNBD-PBHICJAKSA-N 1 0 302.418 2.065 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000237864190 202373301 /nfs/dbraw/zinc/37/33/01/202373301.db2.gz DKZVVRJIPFRDOY-XJKCOSOUSA-N 1 0 324.371 2.382 50 0 DEAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](O)C1 ZINC000242677030 202474775 /nfs/dbraw/zinc/47/47/75/202474775.db2.gz SVSJLQFWKYTFNL-HUUCEWRRSA-N 1 0 306.406 2.004 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC000189317233 200381291 /nfs/dbraw/zinc/38/12/91/200381291.db2.gz LNGCMUPQWHXIRY-RRQGHBQHSA-N 1 0 304.434 2.234 50 0 DEAARO CCc1noc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)n1 ZINC000670472339 540938663 /nfs/dbraw/zinc/93/86/63/540938663.db2.gz VZYBTNPPIHVICR-UHFFFAOYSA-N 1 0 314.433 2.429 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000123879993 296027903 /nfs/dbraw/zinc/02/79/03/296027903.db2.gz BHDKOQMADQEVBE-BXKDBHETSA-N 1 0 320.817 2.370 50 0 DEAARO COc1cc(CN2CCN(CC[NH+]3CCCC3)CC2)ccc1C ZINC000193628575 201089062 /nfs/dbraw/zinc/08/90/62/201089062.db2.gz NUNISNWGQJOFLI-UHFFFAOYSA-N 1 0 317.477 2.217 50 0 DEAARO Cc1c([C@@H](C)NC(=O)C2([NH3+])CC2)cnn1-c1ccc(F)cc1F ZINC000091547923 193071468 /nfs/dbraw/zinc/07/14/68/193071468.db2.gz FIIXLEBIUNIDPE-SECBINFHSA-N 1 0 320.343 2.127 50 0 DEAARO COCC[C@]1(CO)CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091494570 193064409 /nfs/dbraw/zinc/06/44/09/193064409.db2.gz XQXZYSIVXVCGJE-GOSISDBHSA-N 1 0 322.449 2.318 50 0 DEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c(CC)c1C)C2 ZINC000091690510 193091300 /nfs/dbraw/zinc/09/13/00/193091300.db2.gz YGYSRPLSOPKOOK-ZIAGYGMSSA-N 1 0 304.438 2.227 50 0 DEAARO Cn1ccnc1-c1cn(Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000091746091 193100552 /nfs/dbraw/zinc/10/05/52/193100552.db2.gz XRVGGZAZNRVQRE-UHFFFAOYSA-N 1 0 322.416 2.323 50 0 DEAARO CC[C@]1(CO)CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000091635381 193083243 /nfs/dbraw/zinc/08/32/43/193083243.db2.gz BVLGDVNKYOQPAN-KRWDZBQOSA-N 1 0 307.390 2.408 50 0 DEAARO CN(CC(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000091818734 193112202 /nfs/dbraw/zinc/11/22/02/193112202.db2.gz MIRWBYTXRYUBOK-MSOLQXFVSA-N 1 0 309.413 2.076 50 0 DEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CO)CC2)C1 ZINC000091817601 193112660 /nfs/dbraw/zinc/11/26/60/193112660.db2.gz NNWYRPRJNXFOBY-KRWDZBQOSA-N 1 0 316.445 2.097 50 0 DEAARO CN(CC[C@H](O)c1ccccc1)c1nc(N)[nH+]c2c1CCCC2 ZINC000091908193 193125104 /nfs/dbraw/zinc/12/51/04/193125104.db2.gz AUYIRCKGCPNMQE-INIZCTEOSA-N 1 0 312.417 2.498 50 0 DEAARO COc1ccc(CN2CC3(CC[NH2+]CC3)CCC2=O)c(F)c1F ZINC000091943197 193129817 /nfs/dbraw/zinc/12/98/17/193129817.db2.gz VKSOYYZTYLQTFI-UHFFFAOYSA-N 1 0 324.371 2.466 50 0 DEAARO C[C@@H]1C[N@H+](CCC(=O)N2CCCc3ccccc32)CC[C@]1(C)O ZINC000091966684 193134409 /nfs/dbraw/zinc/13/44/09/193134409.db2.gz CPPOBQGYROBEMC-BEFAXECRSA-N 1 0 316.445 2.449 50 0 DEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OC(F)F)C2 ZINC000091997184 193138500 /nfs/dbraw/zinc/13/85/00/193138500.db2.gz MMKMTCBGWOTVGV-VXGBXAGGSA-N 1 0 310.344 2.454 50 0 DEAARO CCN1CCC(CNc2nc(C)nc(C)c2C)([NH+](C)C)CC1 ZINC000092019945 193143376 /nfs/dbraw/zinc/14/33/76/193143376.db2.gz IZNGFEBVVUFPGB-UHFFFAOYSA-N 1 0 305.470 2.230 50 0 DEAARO NC(=O)c1cccc(C[C@@H]2CC[N@H+](CC3CCOCC3)C2)c1 ZINC000092036999 193144161 /nfs/dbraw/zinc/14/41/61/193144161.db2.gz ROHJVIUKVHMDBP-INIZCTEOSA-N 1 0 302.418 2.077 50 0 DEAARO O=C(NCCCC(F)(F)F)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000253429223 202886484 /nfs/dbraw/zinc/88/64/84/202886484.db2.gz CEMMKFHXLJXDJO-GFCCVEGCSA-N 1 0 308.344 2.089 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000095358238 193429257 /nfs/dbraw/zinc/42/92/57/193429257.db2.gz XBQGCGAJQXESIR-QGZVFWFLSA-N 1 0 322.424 2.486 50 0 DEAARO CCOc1ccc(CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000096140177 193550181 /nfs/dbraw/zinc/55/01/81/193550181.db2.gz FRYSQGGIELCXMF-INIZCTEOSA-N 1 0 302.418 2.134 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000096165423 193559579 /nfs/dbraw/zinc/55/95/79/193559579.db2.gz PUIRTYICMNDZAT-LLVKDONJSA-N 1 0 324.812 2.045 50 0 DEAARO C[NH+](C)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009153909 181604065 /nfs/dbraw/zinc/60/40/65/181604065.db2.gz GTEFMRFWJIQLTK-UHFFFAOYSA-N 1 0 311.234 2.223 50 0 DEAARO c1[nH]nc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000012556497 181776573 /nfs/dbraw/zinc/77/65/73/181776573.db2.gz RTULWHMHQCGHKV-UHFFFAOYSA-N 1 0 308.389 2.429 50 0 DEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1COc2ccc(OC)cc2C1 ZINC000015786192 182017198 /nfs/dbraw/zinc/01/71/98/182017198.db2.gz LJAQWVNFYAFORI-HNNXBMFYSA-N 1 0 320.433 2.094 50 0 DEAARO OCC[C@@H]1C[N@H+](CC2CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019744204 182141858 /nfs/dbraw/zinc/14/18/58/182141858.db2.gz NEBPCHVKKHQZPO-OAHLLOKOSA-N 1 0 310.388 2.243 50 0 DEAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000019908756 182162893 /nfs/dbraw/zinc/16/28/93/182162893.db2.gz KFZPNMNTHXPFJN-SFHVURJKSA-N 1 0 306.450 2.295 50 0 DEAARO O=C(Nc1ccccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532075 182227553 /nfs/dbraw/zinc/22/75/53/182227553.db2.gz MCTAPRZNCGKRJX-UHFFFAOYSA-N 1 0 321.396 2.402 50 0 DEAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCOCC1 ZINC000020653321 182242317 /nfs/dbraw/zinc/24/23/17/182242317.db2.gz HYBLZALYCHFJNS-UHFFFAOYSA-N 1 0 307.390 2.389 50 0 DEAARO CN(Cc1nc(Cc2ccccc2F)no1)C[C@@H]1CCC[N@@H+]1C ZINC000020784827 182247218 /nfs/dbraw/zinc/24/72/18/182247218.db2.gz HFTCDBLHCSXDBG-AWEZNQCLSA-N 1 0 318.396 2.326 50 0 DEAARO OC1(c2cn(C3CC[NH+]([C@H]4CCSC4)CC3)nn2)CCCC1 ZINC000020854870 182249377 /nfs/dbraw/zinc/24/93/77/182249377.db2.gz YXAAICHVPIFUPB-AWEZNQCLSA-N 1 0 322.478 2.182 50 0 DEAARO OCCN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000022455605 182322066 /nfs/dbraw/zinc/32/20/66/182322066.db2.gz XTBZEWVJFRZSMQ-UHFFFAOYSA-N 1 0 310.441 2.428 50 0 DEAARO C[C@@H](C(N)=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022795870 182334607 /nfs/dbraw/zinc/33/46/07/182334607.db2.gz WFBGWLWXEOJYEV-INIZCTEOSA-N 1 0 323.440 2.267 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000022790010 182334975 /nfs/dbraw/zinc/33/49/75/182334975.db2.gz XBKYGHLSVYDCGL-MSOLQXFVSA-N 1 0 320.477 2.425 50 0 DEAARO C[NH+]1CCN([C@H](CNC(=O)C(C)(C)C)c2ccsc2)CC1 ZINC000022794253 182335105 /nfs/dbraw/zinc/33/51/05/182335105.db2.gz PNEDWXXSSOXBIV-CQSZACIVSA-N 1 0 309.479 2.199 50 0 DEAARO Cn1nc2ccccc2c1C[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023507047 182362358 /nfs/dbraw/zinc/36/23/58/182362358.db2.gz AUMVHERYKHGTIU-ZDUSSCGKSA-N 1 0 323.400 2.036 50 0 DEAARO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCc2ccccc21 ZINC000041626609 183211815 /nfs/dbraw/zinc/21/18/15/183211815.db2.gz ICUFASYBTASECL-OAHLLOKOSA-N 1 0 315.417 2.326 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(OC)c(OC)c2)C1 ZINC000493586163 249332142 /nfs/dbraw/zinc/33/21/42/249332142.db2.gz IXMZADAIAOIXOQ-VIHMKRCTSA-N 1 0 318.417 2.175 50 0 DEAARO C[S@](=O)c1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000042475999 183274673 /nfs/dbraw/zinc/27/46/73/183274673.db2.gz XREOLFVZGLDZQK-JOCHJYFZSA-N 1 0 322.474 2.418 50 0 DEAARO CC(=O)c1cccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000104459454 194009284 /nfs/dbraw/zinc/00/92/84/194009284.db2.gz HENNNNYYTVSMEH-LJQANCHMSA-N 1 0 318.461 2.414 50 0 DEAARO COc1ccc(F)c(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c1 ZINC000104374135 194003098 /nfs/dbraw/zinc/00/30/98/194003098.db2.gz WVKRUXIPDYHSOY-OAHLLOKOSA-N 1 0 310.413 2.111 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2cccc(F)c2F)C[C@H]1CCO ZINC000104382749 194004041 /nfs/dbraw/zinc/00/40/41/194004041.db2.gz RPMHBUVBXSDIOK-OAHLLOKOSA-N 1 0 312.404 2.489 50 0 DEAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nncs1 ZINC000048050351 183616986 /nfs/dbraw/zinc/61/69/86/183616986.db2.gz WGZQLACOKCVJDG-UHFFFAOYSA-N 1 0 323.397 2.273 50 0 DEAARO CCn1ncnc1[C@H](C)NC(=O)CC[NH+]1CCCCCCC1 ZINC000055282140 183976861 /nfs/dbraw/zinc/97/68/61/183976861.db2.gz BDVDJZABKQJNHX-AWEZNQCLSA-N 1 0 307.442 2.131 50 0 DEAARO CCC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000057554476 184042120 /nfs/dbraw/zinc/04/21/20/184042120.db2.gz ZNNPBNUZXQTJSS-AWEZNQCLSA-N 1 0 301.390 2.002 50 0 DEAARO C[C@@H](C(=O)Nc1nccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058174915 184084909 /nfs/dbraw/zinc/08/49/09/184084909.db2.gz DHOKYXDDWDJMQM-ZDUSSCGKSA-N 1 0 322.478 2.420 50 0 DEAARO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058357822 184109020 /nfs/dbraw/zinc/10/90/20/184109020.db2.gz ATYXUILTVHSJCF-NWDGAFQWSA-N 1 0 304.369 2.423 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)c(C)nn1C ZINC000058297456 184102235 /nfs/dbraw/zinc/10/22/35/184102235.db2.gz AQGFYIOEWQLERW-KRWDZBQOSA-N 1 0 316.449 2.438 50 0 DEAARO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000058419770 184115846 /nfs/dbraw/zinc/11/58/46/184115846.db2.gz JXSJFJFKCQQJCR-CQSZACIVSA-N 1 0 316.430 2.431 50 0 DEAARO C[NH+]1CCN(CCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000058424709 184116614 /nfs/dbraw/zinc/11/66/14/184116614.db2.gz VELQYQQKZJCWFK-UHFFFAOYSA-N 1 0 317.458 2.269 50 0 DEAARO c1csc([C@H](C[NH2+]Cc2ccccn2)N2CCOCC2)c1 ZINC000061012621 184159435 /nfs/dbraw/zinc/15/94/35/184159435.db2.gz OLOMVPRNEXNRNV-HNNXBMFYSA-N 1 0 303.431 2.306 50 0 DEAARO COC(=O)c1ccc([C@@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)cc1 ZINC000062001628 184200560 /nfs/dbraw/zinc/20/05/60/184200560.db2.gz UZAHARYZRYRNPW-QFBILLFUSA-N 1 0 322.364 2.398 50 0 biogenic DEAARO COCC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1F ZINC000065385171 184333427 /nfs/dbraw/zinc/33/34/27/184333427.db2.gz LONGAEVXTSBKER-HNNXBMFYSA-N 1 0 308.397 2.333 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000065538563 184362955 /nfs/dbraw/zinc/36/29/55/184362955.db2.gz MYAQHERJQIQWKS-MRXNPFEDSA-N 1 0 320.400 2.148 50 0 DEAARO O[C@H](COc1ccc(F)cc1)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065587282 184369160 /nfs/dbraw/zinc/36/91/60/184369160.db2.gz PBSDXEBTTZJRJE-IRXDYDNUSA-N 1 0 322.424 2.126 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000158479913 197276911 /nfs/dbraw/zinc/27/69/11/197276911.db2.gz HMRNGIFTDGKMKW-CYBMUJFWSA-N 1 0 319.792 2.487 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000156145161 197089296 /nfs/dbraw/zinc/08/92/96/197089296.db2.gz UKDAWDUEXSQQQP-HSRYQADGSA-N 1 0 316.401 2.057 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1OC ZINC000155037079 197016296 /nfs/dbraw/zinc/01/62/96/197016296.db2.gz CJGKXWDWTPZQPF-JTQLQIEISA-N 1 0 312.797 2.181 50 0 DEAARO COc1ccccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120614744 195202714 /nfs/dbraw/zinc/20/27/14/195202714.db2.gz FKBYRCRAMMZQEE-UHFFFAOYSA-N 1 0 306.406 2.382 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237491236 257238298 /nfs/dbraw/zinc/23/82/98/257238298.db2.gz FUVGGPUSVHNIFO-WBMJQRKESA-N 1 0 311.385 2.198 50 0 DEAARO C[NH+](C)CCn1c2ccccc2n(CC(=O)C(C)(C)C)c1=N ZINC000334157456 257261683 /nfs/dbraw/zinc/26/16/83/257261683.db2.gz AOGPKOZBGXXJOW-UHFFFAOYSA-N 1 0 302.422 2.099 50 0 DEAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000252476955 533306306 /nfs/dbraw/zinc/30/63/06/533306306.db2.gz FPNCCUOFVTZAMH-IAFLNBNSSA-N 1 0 309.498 2.198 50 0 DEAARO O=S(=O)(c1cccnc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077489382 296472487 /nfs/dbraw/zinc/47/24/87/296472487.db2.gz DRCFIGIPSNFUCW-HNNXBMFYSA-N 1 0 323.462 2.111 50 0 DEAARO CCOC(=O)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)Cc1ccccc1 ZINC000685944834 542768953 /nfs/dbraw/zinc/76/89/53/542768953.db2.gz BNWKZAUJKQBDBF-PVAVHDDUSA-N 1 0 305.418 2.423 50 0 DEAARO COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000466469 292014525 /nfs/dbraw/zinc/01/45/25/292014525.db2.gz ZXBYFFLADVVWFF-OFQRWUPVSA-N 1 0 321.417 2.191 50 0 DEAARO COCCN(CC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000349312420 146367619 /nfs/dbraw/zinc/36/76/19/146367619.db2.gz FCLRWTKZZDTJJP-AWEZNQCLSA-N 1 0 313.467 2.005 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000248482570 292171690 /nfs/dbraw/zinc/17/16/90/292171690.db2.gz CDYFRMAYHKOFCQ-ZNMIVQPWSA-N 1 0 311.447 2.172 50 0 DEAARO OCC[NH2+]C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000003902832 401724660 /nfs/dbraw/zinc/72/46/60/401724660.db2.gz DYMIJVHRNQRZDH-CYBMUJFWSA-N 1 0 316.426 2.232 50 0 DEAARO COc1ccc(NC(=O)NCC[NH+]2CCCCC2)c(OC)c1 ZINC000006742465 401732713 /nfs/dbraw/zinc/73/27/13/401732713.db2.gz UFTVPRVOBWYQIX-UHFFFAOYSA-N 1 0 307.394 2.311 50 0 DEAARO CC[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1 ZINC000006760791 401732913 /nfs/dbraw/zinc/73/29/13/401732913.db2.gz LTQYTDYBLAFQKN-UHFFFAOYSA-N 1 0 322.416 2.017 50 0 DEAARO CCC[N@H+](C[C@@H](O)COc1cccc(C(=O)OC)c1)CC1CC1 ZINC000006881726 401733543 /nfs/dbraw/zinc/73/35/43/401733543.db2.gz RBXKSMDSCGDUIW-MRXNPFEDSA-N 1 0 321.417 2.335 50 0 DEAARO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000008171831 401749228 /nfs/dbraw/zinc/74/92/28/401749228.db2.gz XNEVRVWAWZVDNB-GJZGRUSLSA-N 1 0 317.433 2.136 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007787511 401744668 /nfs/dbraw/zinc/74/46/68/401744668.db2.gz UEFJRIXVGLGRDA-ZDUSSCGKSA-N 1 0 317.433 2.090 50 0 DEAARO CCCNC(=O)C1([NH2+]CCOCC(F)(F)F)CCCCC1 ZINC000075105613 401749538 /nfs/dbraw/zinc/74/95/38/401749538.db2.gz RMVHYZWPKMPRIU-UHFFFAOYSA-N 1 0 310.360 2.384 50 0 DEAARO O=S(=O)(c1ccc(Cl)cc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000000154347 401688722 /nfs/dbraw/zinc/68/87/22/401688722.db2.gz VPHDHADTKGTAEZ-UHFFFAOYSA-N 1 0 314.838 2.245 50 0 DEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000000176642 401688924 /nfs/dbraw/zinc/68/89/24/401688924.db2.gz FAYNJSTWFPDAKS-UHFFFAOYSA-N 1 0 322.380 2.429 50 0 DEAARO C[C@@H](CNC(=O)CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000071867437 401688989 /nfs/dbraw/zinc/68/89/89/401688989.db2.gz KXELXPOPAVBJTF-AWEZNQCLSA-N 1 0 323.868 2.025 50 0 DEAARO Cc1oc(-c2ccsc2)nc1CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000071877385 401690898 /nfs/dbraw/zinc/69/08/98/401690898.db2.gz FQZXVBAWWDVWHF-GFCCVEGCSA-N 1 0 321.446 2.210 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(F)c3cccnc13)CC2 ZINC000071879344 401691007 /nfs/dbraw/zinc/69/10/07/401691007.db2.gz SEIJSVLEWYAXTH-CYBMUJFWSA-N 1 0 311.364 2.378 50 0 DEAARO CO[C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000071885785 401692182 /nfs/dbraw/zinc/69/21/82/401692182.db2.gz MEZVAWDDIIMWOF-CYBMUJFWSA-N 1 0 308.397 2.189 50 0 DEAARO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000071885772 401692268 /nfs/dbraw/zinc/69/22/68/401692268.db2.gz YPKDONFLSZKUDZ-ZWKOTPCHSA-N 1 0 324.428 2.171 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000254318 401692301 /nfs/dbraw/zinc/69/23/01/401692301.db2.gz OVYWAWDUPOIGET-ZDUSSCGKSA-N 1 0 322.380 2.429 50 0 DEAARO C[NH+](C)C1(CNC(=O)CCc2cccc(Cl)c2)CCOCC1 ZINC000071905369 401695640 /nfs/dbraw/zinc/69/56/40/401695640.db2.gz UJHJGXIYNWDEKW-UHFFFAOYSA-N 1 0 324.852 2.500 50 0 DEAARO CC[C@@H]1CN(Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072147572 401703415 /nfs/dbraw/zinc/70/34/15/401703415.db2.gz KXRINWKLRLZYRV-QGZVFWFLSA-N 1 0 317.481 2.381 50 0 DEAARO c1nnc2n1C[C@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000072252920 401704223 /nfs/dbraw/zinc/70/42/23/401704223.db2.gz YFVLKALYNHNWTF-AWEZNQCLSA-N 1 0 320.400 2.087 50 0 DEAARO Cc1ccc([C@@H](NC(=O)C[NH2+]CCn2cccn2)C2CC2)cc1 ZINC000072267779 401704778 /nfs/dbraw/zinc/70/47/78/401704778.db2.gz ZBECTCCWDOWPKT-GOSISDBHSA-N 1 0 312.417 2.049 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000072267885 401705047 /nfs/dbraw/zinc/70/50/47/401705047.db2.gz GXQHMSKNXJKKRX-HNNXBMFYSA-N 1 0 321.808 2.415 50 0 DEAARO COc1cc(OC)nc([C@@H](SCC[NH3+])c2ccccc2)n1 ZINC000001741994 401710263 /nfs/dbraw/zinc/71/02/63/401710263.db2.gz XQOUJVGEKAZBMJ-AWEZNQCLSA-N 1 0 305.403 2.275 50 0 DEAARO Cc1cc(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(=O)[nH]1 ZINC000072883659 401713998 /nfs/dbraw/zinc/71/39/98/401713998.db2.gz WGEYLWWGWINVQD-ZDUSSCGKSA-N 1 0 319.430 2.086 50 0 DEAARO COC[C@@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000002639635 401715871 /nfs/dbraw/zinc/71/58/71/401715871.db2.gz RXUYMXCFIDSZAZ-MWLCHTKSSA-N 1 0 308.205 2.358 50 0 DEAARO COC[C@@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000002639633 401715928 /nfs/dbraw/zinc/71/59/28/401715928.db2.gz RXUYMXCFIDSZAZ-KOLCDFICSA-N 1 0 308.205 2.358 50 0 DEAARO COc1ccc(NC(=O)C[NH2+]CCCn2ccnc2)cc1Cl ZINC000013129695 401797142 /nfs/dbraw/zinc/79/71/42/401797142.db2.gz UEMUGEJQCORKQS-UHFFFAOYSA-N 1 0 322.796 2.164 50 0 DEAARO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013404075 401799225 /nfs/dbraw/zinc/79/92/25/401799225.db2.gz RYXOJVLTKNOQBB-CZUORRHYSA-N 1 0 316.401 2.449 50 0 DEAARO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)C(C)C ZINC000014232343 401809375 /nfs/dbraw/zinc/80/93/75/401809375.db2.gz GJTKHZOTWQPLHU-OAHLLOKOSA-N 1 0 319.449 2.334 50 0 DEAARO CC1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000010052937 401767983 /nfs/dbraw/zinc/76/79/83/401767983.db2.gz MUUSPRRTLLOJLF-UHFFFAOYSA-N 1 0 315.417 2.484 50 0 DEAARO COCCC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915643 401773822 /nfs/dbraw/zinc/77/38/22/401773822.db2.gz MVSQATRNNYZZNG-UHFFFAOYSA-N 1 0 310.825 2.063 50 0 DEAARO CC(C)(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853299 401777635 /nfs/dbraw/zinc/77/76/35/401777635.db2.gz UISLROPPPLICLU-UHFFFAOYSA-N 1 0 303.450 2.361 50 0 DEAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)n1C ZINC000012316889 401783110 /nfs/dbraw/zinc/78/31/10/401783110.db2.gz OQDCQHMNRBWHQU-CQSZACIVSA-N 1 0 304.438 2.142 50 0 DEAARO C[C@@H]1C[N@@H+](C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000012414181 401784877 /nfs/dbraw/zinc/78/48/77/401784877.db2.gz PRSOKTOCHJPNBN-XJISEUOASA-N 1 0 323.477 2.442 50 0 DEAARO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000012506056 401786826 /nfs/dbraw/zinc/78/68/26/401786826.db2.gz KTORFHRWACLQAG-UHFFFAOYSA-N 1 0 319.405 2.008 50 0 DEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000012918443 401794122 /nfs/dbraw/zinc/79/41/22/401794122.db2.gz PKCVJAVWPFRRPN-UHFFFAOYSA-N 1 0 314.838 2.245 50 0 DEAARO CCc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)no1 ZINC000077516915 401818593 /nfs/dbraw/zinc/81/85/93/401818593.db2.gz RTCUUDNACWEOPC-UHFFFAOYSA-N 1 0 304.369 2.483 50 0 DEAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020725487 401825056 /nfs/dbraw/zinc/82/50/56/401825056.db2.gz KESLDBVQJWXDGV-MRXNPFEDSA-N 1 0 310.413 2.124 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025421042 401834583 /nfs/dbraw/zinc/83/45/83/401834583.db2.gz ZEMLAOWJUALXAQ-MRXNPFEDSA-N 1 0 301.390 2.253 50 0 DEAARO COc1ccc(NC(=O)NC(=O)C[N@H+](CC(C)C)C2CC2)cc1 ZINC000027110398 401843917 /nfs/dbraw/zinc/84/39/17/401843917.db2.gz YAYBGLDEQBKVKE-UHFFFAOYSA-N 1 0 319.405 2.464 50 0 DEAARO NC(=O)COc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000027217772 401844163 /nfs/dbraw/zinc/84/41/63/401844163.db2.gz YPNUBGYIPCMWDD-UHFFFAOYSA-N 1 0 306.312 2.119 50 0 DEAARO COc1ccc(-c2c[n+]3ccccc3n2CCOC(C)=O)cc1 ZINC000027525701 401845793 /nfs/dbraw/zinc/84/57/93/401845793.db2.gz JCOQPMLQWKQQKL-UHFFFAOYSA-N 1 0 311.361 2.466 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000131336232 401848354 /nfs/dbraw/zinc/84/83/54/401848354.db2.gz JWLUMMFSYWIQCO-SFYZADRCSA-N 1 0 307.341 2.296 50 0 DEAARO CCc1cnc(CN(C)[C@H]2CC[N@H+](CCc3ccccn3)C2)o1 ZINC000078891822 401868076 /nfs/dbraw/zinc/86/80/76/401868076.db2.gz WBPJVEPFTFBDQF-INIZCTEOSA-N 1 0 314.433 2.381 50 0 DEAARO Cc1ccn(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000014965034 401814671 /nfs/dbraw/zinc/81/46/71/401814671.db2.gz PRXBSHCFLAWMRN-INIZCTEOSA-N 1 0 318.465 2.495 50 0 DEAARO CCOC(=O)[C@@H]1C[C@@]2(c3cc(C)ccc3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000015022602 401815319 /nfs/dbraw/zinc/81/53/19/401815319.db2.gz OADUTSIQQFOQFS-MRAWALMUSA-N 1 0 314.385 2.190 50 0 DEAARO O=C([C@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077426631 401815346 /nfs/dbraw/zinc/81/53/46/401815346.db2.gz HHJSUFOLJUNWMA-GOSISDBHSA-N 1 0 316.445 2.333 50 0 DEAARO O=C(Cn1cccn1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015079063 401815824 /nfs/dbraw/zinc/81/58/24/401815824.db2.gz SHWNYFBOBNVYLN-HNNXBMFYSA-N 1 0 304.438 2.187 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000032758531 401882505 /nfs/dbraw/zinc/88/25/05/401882505.db2.gz XWIYVQRUHQXEFU-KRWDZBQOSA-N 1 0 321.461 2.489 50 0 DEAARO NC(=O)[C@@H]([NH2+]CCCN1CCc2ccccc21)c1ccccc1 ZINC000032771742 401882753 /nfs/dbraw/zinc/88/27/53/401882753.db2.gz GJQOYJRYMMAPRG-SFHVURJKSA-N 1 0 309.413 2.255 50 0 DEAARO CC(C)C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCCC1 ZINC000032816911 401883550 /nfs/dbraw/zinc/88/35/50/401883550.db2.gz CANKNAURZLROFL-CQSZACIVSA-N 1 0 315.417 2.200 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000134129661 401899470 /nfs/dbraw/zinc/89/94/70/401899470.db2.gz IKRIVKFFAYWDNH-GOEBONIOSA-N 1 0 314.495 2.240 50 0 DEAARO COCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036100458 401902527 /nfs/dbraw/zinc/90/25/27/401902527.db2.gz OWUMRJJIEYDJHN-SFHVURJKSA-N 1 0 309.450 2.477 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000036296745 401903995 /nfs/dbraw/zinc/90/39/95/401903995.db2.gz IARSZIAKPQOMTK-UHFFFAOYSA-N 1 0 302.827 2.008 50 0 DEAARO CCn1cc(CN2CC[N@H+](C)[C@H](CCO)C2)c2ccccc21 ZINC000036379410 401904840 /nfs/dbraw/zinc/90/48/40/401904840.db2.gz PFYVONRGUIIHOU-MRXNPFEDSA-N 1 0 301.434 2.160 50 0 DEAARO NC(=O)[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000036392646 401905633 /nfs/dbraw/zinc/90/56/33/401905633.db2.gz NPZHSOXZIZKJBG-SFHVURJKSA-N 1 0 320.396 2.231 50 0 DEAARO C[N@@H+]1CC[C@H](CNc2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000037647638 401916182 /nfs/dbraw/zinc/91/61/82/401916182.db2.gz LUJBVBMAGJPETR-SNVBAGLBSA-N 1 0 322.352 2.344 50 0 DEAARO COCC[NH+]1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000085467999 401916692 /nfs/dbraw/zinc/91/66/92/401916692.db2.gz YBWHNEZCHNDFDX-UHFFFAOYSA-N 1 0 302.374 2.273 50 0 DEAARO O=C(C1CCC1)N1CCCn2nc(C[NH2+]C3CCCC3)cc2C1 ZINC000085474643 401916743 /nfs/dbraw/zinc/91/67/43/401916743.db2.gz XAWSDQPDRKWVLE-UHFFFAOYSA-N 1 0 316.449 2.448 50 0 DEAARO Cc1ccc(CC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000089652212 401955822 /nfs/dbraw/zinc/95/58/22/401955822.db2.gz NJJNZTQPTKBBMS-UHFFFAOYSA-N 1 0 315.392 2.450 50 0 DEAARO CC(C)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000045726810 401960505 /nfs/dbraw/zinc/96/05/05/401960505.db2.gz USXHGDPWHVAJCF-UHFFFAOYSA-N 1 0 322.416 2.346 50 0 DEAARO CC[C@H]1CCCCN1C(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000045768035 401961809 /nfs/dbraw/zinc/96/18/09/401961809.db2.gz ROYNOVQMKHDDFL-INIZCTEOSA-N 1 0 307.482 2.338 50 0 DEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](CCc2cccs2)CC1 ZINC000089925602 401973469 /nfs/dbraw/zinc/97/34/69/401973469.db2.gz NAGDUHPLMHNIBL-HNNXBMFYSA-N 1 0 305.447 2.470 50 0 DEAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H](C)C1 ZINC000089937597 401974907 /nfs/dbraw/zinc/97/49/07/401974907.db2.gz IRMACDRYYWIIHA-CJNGLKHVSA-N 1 0 318.417 2.194 50 0 DEAARO COCCOc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000089937582 401975233 /nfs/dbraw/zinc/97/52/33/401975233.db2.gz OPCJWAXKBYOCDQ-KBXCAEBGSA-N 1 0 320.433 2.058 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C[C@H](O)c1cccc(Br)c1 ZINC000089939207 401975670 /nfs/dbraw/zinc/97/56/70/401975670.db2.gz BCEYLZKFPCHQHJ-RISCZKNCSA-N 1 0 313.239 2.118 50 0 DEAARO O[C@]1(C[NH2+]C2CCN(c3ccccn3)CC2)CCc2ccccc21 ZINC000090795919 401986907 /nfs/dbraw/zinc/98/69/07/401986907.db2.gz KCZSSNKGKAVXOY-FQEVSTJZSA-N 1 0 323.440 2.474 50 0 DEAARO Cc1nnc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000047938914 401990697 /nfs/dbraw/zinc/99/06/97/401990697.db2.gz OUYZJEBZNXXFMQ-UHFFFAOYSA-N 1 0 309.439 2.329 50 0 DEAARO CCC[C@@H](C)C[NH+]1CCC(Cn2cc(CCCO)nn2)CC1 ZINC000048121674 401994365 /nfs/dbraw/zinc/99/43/65/401994365.db2.gz ZYXBHQSRPNUSQG-OAHLLOKOSA-N 1 0 308.470 2.351 50 0 DEAARO COC(=O)c1ccc2ccn(C[C@@H]3CCC[N@H+](C)C3)c(=O)c2c1 ZINC000095353094 402026625 /nfs/dbraw/zinc/02/66/25/402026625.db2.gz YFQUXVKSKHXUTI-CYBMUJFWSA-N 1 0 314.385 2.130 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCn1ncc(N2CCCCC2)cc1=O ZINC000095382923 402030937 /nfs/dbraw/zinc/03/09/37/402030937.db2.gz UHRRFZSELKKSSV-OAHLLOKOSA-N 1 0 304.438 2.108 50 0 DEAARO Cc1nc2c(c(N3CCC[N@@H+](C)CC3)n1)Cc1ccccc1OC2 ZINC000095516782 402033997 /nfs/dbraw/zinc/03/39/97/402033997.db2.gz DNBOBOGZTUCHED-UHFFFAOYSA-N 1 0 324.428 2.410 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000095503636 402034168 /nfs/dbraw/zinc/03/41/68/402034168.db2.gz YSFLYLILEJPPBP-HNNXBMFYSA-N 1 0 311.385 2.169 50 0 DEAARO CCC[NH+]1CCC(NS(=O)(=O)CC2CCCCC2)CC1 ZINC000095938963 402034777 /nfs/dbraw/zinc/03/47/77/402034777.db2.gz ALNJZBMXFCNWKT-UHFFFAOYSA-N 1 0 302.484 2.361 50 0 DEAARO NC(=O)c1c[nH+]ccc1N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000095941125 402035009 /nfs/dbraw/zinc/03/50/09/402035009.db2.gz ZBWNLIIOEYYERC-LLVKDONJSA-N 1 0 318.327 2.150 50 0 DEAARO O=C(NCc1cc(F)cc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000095971068 402039377 /nfs/dbraw/zinc/03/93/77/402039377.db2.gz ZINVXXKBBVSWEV-GFCCVEGCSA-N 1 0 315.186 2.347 50 0 DEAARO O=C1NCCN1C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000052216294 402041146 /nfs/dbraw/zinc/04/11/46/402041146.db2.gz QQNAGTPZFJPJDQ-UHFFFAOYSA-N 1 0 323.824 2.208 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000053202122 402052128 /nfs/dbraw/zinc/05/21/28/402052128.db2.gz BYJJRUZMVGHQGY-ZDUSSCGKSA-N 1 0 311.223 2.202 50 0 DEAARO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)C1CCCC1 ZINC000053436252 402056353 /nfs/dbraw/zinc/05/63/53/402056353.db2.gz SUBQBDPUZNIDEV-UHFFFAOYSA-N 1 0 321.446 2.077 50 0 DEAARO CN(CCCc1nccn1C)C(=O)CC[NH+]1CCCCCCC1 ZINC000055368810 402080587 /nfs/dbraw/zinc/08/05/87/402080587.db2.gz GHLGKPUVSXDKRF-UHFFFAOYSA-N 1 0 320.481 2.467 50 0 DEAARO CCc1oc(C(=O)NCCn2cccn2)cc1C[NH+](CC)CC ZINC000055393567 402081007 /nfs/dbraw/zinc/08/10/07/402081007.db2.gz WNZGYPNZOCIERM-UHFFFAOYSA-N 1 0 318.421 2.310 50 0 DEAARO CCCCOCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421448 402082710 /nfs/dbraw/zinc/08/27/10/402082710.db2.gz VFLZEEQVIJCYCA-GVDBMIGSSA-N 1 0 323.481 2.319 50 0 DEAARO Cc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000096435367 402086156 /nfs/dbraw/zinc/08/61/56/402086156.db2.gz GACRXLHSIGYEOH-UHFFFAOYSA-N 1 0 307.423 2.136 50 0 DEAARO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000096454422 402090726 /nfs/dbraw/zinc/09/07/26/402090726.db2.gz HOZQWXDDILSELI-GUYCJALGSA-N 1 0 312.417 2.359 50 0 DEAARO CN(CCCC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000096503243 402097956 /nfs/dbraw/zinc/09/79/56/402097956.db2.gz AIHIATCELNYPNR-UHFFFAOYSA-N 1 0 322.833 2.441 50 0 DEAARO COc1c(C[NH2+]C[C@H](c2ccc(C)cc2)N(C)C)c(C)nn1C ZINC000058297455 402099832 /nfs/dbraw/zinc/09/98/32/402099832.db2.gz AQGFYIOEWQLERW-QGZVFWFLSA-N 1 0 316.449 2.438 50 0 DEAARO Cc1ccc(-c2nnco2)cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000097052109 402103500 /nfs/dbraw/zinc/10/35/00/402103500.db2.gz LMMSNXUOFRYLTL-UHFFFAOYSA-N 1 0 315.377 2.214 50 0 DEAARO COc1ccc(-c2ncc(CN3CCC[C@H]([NH3+])CC3)cn2)cc1 ZINC000097301304 402121872 /nfs/dbraw/zinc/12/18/72/402121872.db2.gz TURAZHHLXMCHAT-INIZCTEOSA-N 1 0 312.417 2.465 50 0 DEAARO Cc1cccc(NC(=O)NCC[NH+](C)C)c1Br ZINC000097162597 402113414 /nfs/dbraw/zinc/11/34/14/402113414.db2.gz XYAYMSVCTZRBHK-UHFFFAOYSA-N 1 0 300.200 2.441 50 0 DEAARO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCn1ccnc1 ZINC000097233639 402119395 /nfs/dbraw/zinc/11/93/95/402119395.db2.gz GELCXZNEOZPOBM-UONOGXRCSA-N 1 0 308.426 2.118 50 0 DEAARO Cn1nccc1-c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000096142282 402062092 /nfs/dbraw/zinc/06/20/92/402062092.db2.gz IKKSHUKUZDSIAP-HNNXBMFYSA-N 1 0 315.417 2.313 50 0 DEAARO C[C@H]1CN(C(=O)C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000054117777 402062539 /nfs/dbraw/zinc/06/25/39/402062539.db2.gz PQKLMJBYBVXSKK-ISOUWHGUSA-N 1 0 320.477 2.382 50 0 DEAARO Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]CCCn1ccnc1 ZINC000065425654 402125080 /nfs/dbraw/zinc/12/50/80/402125080.db2.gz MOQDJCBYGBOVEA-UHFFFAOYSA-N 1 0 312.417 2.151 50 0 DEAARO C[C@@H](CC[NH+]1CCN(c2ncc[nH]c2=O)CC1)c1ccccc1 ZINC000097480121 402125802 /nfs/dbraw/zinc/12/58/02/402125802.db2.gz YWWODZMXRQIAOD-HNNXBMFYSA-N 1 0 312.417 2.086 50 0 DEAARO Cc1cc(NC(=O)[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)no1 ZINC000097495051 402126155 /nfs/dbraw/zinc/12/61/55/402126155.db2.gz IOVFYOGHQZNLPJ-GDBMZVCRSA-N 1 0 315.373 2.431 50 0 DEAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1coc(-c3ccccc3)n1)C2 ZINC000097594823 402127399 /nfs/dbraw/zinc/12/73/99/402127399.db2.gz MVKLPYFHQJSDFG-CABCVRRESA-N 1 0 311.385 2.442 50 0 DEAARO COc1cccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1O ZINC000097667668 402129223 /nfs/dbraw/zinc/12/92/23/402129223.db2.gz QWEXALFXQVKOHB-CHWSQXEVSA-N 1 0 306.406 2.251 50 0 DEAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000097757888 402131809 /nfs/dbraw/zinc/13/18/09/402131809.db2.gz FFRJYOLFAQXWHH-ROUUACIJSA-N 1 0 318.380 2.227 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2ccccn12 ZINC000098055873 402135202 /nfs/dbraw/zinc/13/52/02/402135202.db2.gz LFWGCERQASXZBZ-ZHRWSRJISA-N 1 0 318.808 2.163 50 0 DEAARO Cc1ccn2cc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)nc2c1 ZINC000066948128 402147737 /nfs/dbraw/zinc/14/77/37/402147737.db2.gz VHCAUIJMYABNSV-CQSZACIVSA-N 1 0 300.406 2.199 50 0 DEAARO C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@H](C)[NH2+]1 ZINC000153624831 402158051 /nfs/dbraw/zinc/15/80/51/402158051.db2.gz VHQNSNVRCKGHJT-CZXPBSPDSA-N 1 0 310.401 2.094 50 0 DEAARO CCC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000067934132 402178835 /nfs/dbraw/zinc/17/88/35/402178835.db2.gz AHDTVZCFBOFRMP-OAHLLOKOSA-N 1 0 318.417 2.196 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2noc3ccccc23)C1 ZINC000067934598 402179286 /nfs/dbraw/zinc/17/92/86/402179286.db2.gz PAISRCSSQXVZKQ-AWEZNQCLSA-N 1 0 315.417 2.464 50 0 DEAARO CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067955202 402180507 /nfs/dbraw/zinc/18/05/07/402180507.db2.gz GACROALBPREIJB-SFHVURJKSA-N 1 0 318.465 2.317 50 0 DEAARO CCn1nc(CC(C)C)cc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067955203 402180751 /nfs/dbraw/zinc/18/07/51/402180751.db2.gz GACROALBPREIJB-GOSISDBHSA-N 1 0 318.465 2.317 50 0 DEAARO CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000103980524 402196009 /nfs/dbraw/zinc/19/60/09/402196009.db2.gz PVCDTUDWWYONGC-OLZOCXBDSA-N 1 0 324.446 2.028 50 0 DEAARO CC(C)=CC[N@@H+]1CCC[C@H](CCNS(=O)(=O)C2CC2)C1 ZINC000067458576 402160018 /nfs/dbraw/zinc/16/00/18/402160018.db2.gz GQKNAXHUDNVBNM-CQSZACIVSA-N 1 0 300.468 2.137 50 0 DEAARO C[C@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@H](C)[NH2+]1 ZINC000153706625 402164301 /nfs/dbraw/zinc/16/43/01/402164301.db2.gz QHXKXAGTFFWYFN-STQMWFEESA-N 1 0 312.373 2.091 50 0 DEAARO [NH3+]C1(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)CCC1 ZINC000067769491 402172227 /nfs/dbraw/zinc/17/22/27/402172227.db2.gz OCGNVXSQPAFRNL-UHFFFAOYSA-N 1 0 315.348 2.247 50 0 DEAARO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2NCc2ccccn2)C1 ZINC000067772689 402172586 /nfs/dbraw/zinc/17/25/86/402172586.db2.gz SEZGIRVEGIBKSA-HNNXBMFYSA-N 1 0 324.428 2.375 50 0 DEAARO C=Cc1cccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000067804927 402173144 /nfs/dbraw/zinc/17/31/44/402173144.db2.gz YLYMYLNGPSYWFT-INIZCTEOSA-N 1 0 320.458 2.233 50 0 DEAARO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067846894 402175256 /nfs/dbraw/zinc/17/52/56/402175256.db2.gz XWUAROBTWYNSGB-CABCVRRESA-N 1 0 314.364 2.069 50 0 DEAARO c1cn(C[C@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)cn1 ZINC000067872865 402176705 /nfs/dbraw/zinc/17/67/05/402176705.db2.gz YBQQXOARRUKMDC-KRWDZBQOSA-N 1 0 320.400 2.172 50 0 DEAARO c1cn(C[C@@H](Nc2ncnc3c2CC[NH2+]C3)c2ccccc2)cn1 ZINC000067872864 402177129 /nfs/dbraw/zinc/17/71/29/402177129.db2.gz YBQQXOARRUKMDC-QGZVFWFLSA-N 1 0 320.400 2.172 50 0 DEAARO C[C@H]1CN(C(=O)Cc2ccccc2Br)C[C@H](C)[NH2+]1 ZINC000153885920 402177607 /nfs/dbraw/zinc/17/76/07/402177607.db2.gz BBYTVPWYYSCRCG-QWRGUYRKSA-N 1 0 311.223 2.200 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000106845433 402217619 /nfs/dbraw/zinc/21/76/19/402217619.db2.gz BJEXIBCHNMWLJF-IJEWVQPXSA-N 1 0 303.406 2.473 50 0 DEAARO CC(C)NC(=O)[C@@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069415528 402222419 /nfs/dbraw/zinc/22/24/19/402222419.db2.gz YDHJNFKRRRBVIO-QZTJIDSGSA-N 1 0 315.461 2.422 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C ZINC000106929161 402223334 /nfs/dbraw/zinc/22/33/34/402223334.db2.gz RLBLIDKWVLZHFO-GJZGRUSLSA-N 1 0 317.433 2.147 50 0 DEAARO COCC[N@H+](C)CCNC(=O)CCSc1ccc(F)cc1 ZINC000069517156 402228055 /nfs/dbraw/zinc/22/80/55/402228055.db2.gz RAXBXWVODPSSED-UHFFFAOYSA-N 1 0 314.426 2.002 50 0 DEAARO CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000069530366 402229079 /nfs/dbraw/zinc/22/90/79/402229079.db2.gz USFWVMWGEAZAII-INIZCTEOSA-N 1 0 312.417 2.220 50 0 DEAARO CS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000069532093 402229838 /nfs/dbraw/zinc/22/98/38/402229838.db2.gz IWQONYQTOMDGCN-UHFFFAOYSA-N 1 0 316.854 2.101 50 0 DEAARO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000069571228 402231679 /nfs/dbraw/zinc/23/16/79/402231679.db2.gz KOFCCTDXPHGIEQ-UHFFFAOYSA-N 1 0 304.390 2.219 50 0 DEAARO Cc1cc(C)n(Cc2cccc(C(=O)NC[C@@H](C)[NH+](C)C)c2)n1 ZINC000069625933 402235123 /nfs/dbraw/zinc/23/51/23/402235123.db2.gz STNAWTSOGSIPHM-OAHLLOKOSA-N 1 0 314.433 2.228 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069698158 402239180 /nfs/dbraw/zinc/23/91/80/402239180.db2.gz TXGRUIGDZIWBQY-OAHLLOKOSA-N 1 0 317.433 2.490 50 0 DEAARO COc1ccccc1CC[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000069773503 402242967 /nfs/dbraw/zinc/24/29/67/402242967.db2.gz TZBPJFPMCKOMEJ-UHFFFAOYSA-N 1 0 323.396 2.378 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc(C)cn2)cc1 ZINC000069808260 402244945 /nfs/dbraw/zinc/24/49/45/402244945.db2.gz BVZAAPSAGDQNJN-UHFFFAOYSA-N 1 0 311.389 2.380 50 0 DEAARO CCOCC[NH+]1CCN(CCCc2nc3ccccc3o2)CC1 ZINC000069840986 402246455 /nfs/dbraw/zinc/24/64/55/402246455.db2.gz PZFMXXYCOFXJPZ-UHFFFAOYSA-N 1 0 317.433 2.415 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)N(C)Cc1cccs1)n1cccn1 ZINC000069920070 402251060 /nfs/dbraw/zinc/25/10/60/402251060.db2.gz DHEYSHNNFWJUIW-QWHCGFSZSA-N 1 0 306.435 2.142 50 0 DEAARO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H](C)n1cccn1 ZINC000069920184 402251075 /nfs/dbraw/zinc/25/10/75/402251075.db2.gz VPDRCPDQYZNUKD-CABCVRRESA-N 1 0 312.417 2.402 50 0 DEAARO C[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000069950958 402252310 /nfs/dbraw/zinc/25/23/10/402252310.db2.gz SNXXBQYMCFMNMR-CYBMUJFWSA-N 1 0 319.836 2.387 50 0 DEAARO Cn1cc(Br)cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000070148932 402257253 /nfs/dbraw/zinc/25/72/53/402257253.db2.gz DFAOYIJEJHUATE-LLVKDONJSA-N 1 0 314.227 2.131 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173704 402258486 /nfs/dbraw/zinc/25/84/86/402258486.db2.gz VYRWZECCUWOBFJ-VXGBXAGGSA-N 1 0 316.854 2.396 50 0 DEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)cn1 ZINC000071797256 402278890 /nfs/dbraw/zinc/27/88/90/402278890.db2.gz LKKONDNOLIQLRT-DOTOQJQBSA-N 1 0 319.380 2.136 50 0 DEAARO COCC[NH+]1CCN(CCCc2nc3ccccc3o2)CC1 ZINC000071817184 402280558 /nfs/dbraw/zinc/28/05/58/402280558.db2.gz NHBPLIDAIDXELD-UHFFFAOYSA-N 1 0 303.406 2.024 50 0 DEAARO C[N@H+](CCCN1CCOCC1)Cc1ccc(OC(F)F)cc1 ZINC000071823540 402282476 /nfs/dbraw/zinc/28/24/76/402282476.db2.gz VBUAKUHMQYNXOZ-UHFFFAOYSA-N 1 0 314.376 2.442 50 0 DEAARO C[C@@H]1C[N@@H+](C2CCN(c3ncnc4sccc43)CC2)CCO1 ZINC000071821721 402282517 /nfs/dbraw/zinc/28/25/17/402282517.db2.gz ZPSVSDBPAHXMPB-GFCCVEGCSA-N 1 0 318.446 2.381 50 0 DEAARO C[C@@H](O)c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000071825329 402283489 /nfs/dbraw/zinc/28/34/89/402283489.db2.gz ZYJIMONDSLRCOM-CQSZACIVSA-N 1 0 312.417 2.420 50 0 DEAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000071825390 402283517 /nfs/dbraw/zinc/28/35/17/402283517.db2.gz SLPHJAVONXUOOW-AWEZNQCLSA-N 1 0 321.396 2.376 50 0 DEAARO COc1cc(OC)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Cl ZINC000215822669 402285760 /nfs/dbraw/zinc/28/57/60/402285760.db2.gz TUSAOVTULCNAOY-BETUJISGSA-N 1 0 310.825 2.351 50 0 DEAARO O=C(Cc1ccc(-n2cccn2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839770 402286511 /nfs/dbraw/zinc/28/65/11/402286511.db2.gz YCNNMAHIBPDCNO-GOSISDBHSA-N 1 0 324.428 2.112 50 0 DEAARO CCNc1ncc(C[N@H+](C)CCCc2c(C)n[nH]c2C)cn1 ZINC000216158445 402287187 /nfs/dbraw/zinc/28/71/87/402287187.db2.gz WDFJYIZZDZMUGI-UHFFFAOYSA-N 1 0 302.426 2.313 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(c2ccnc(-c3ccccc3)n2)C[C@@H]1C ZINC000071859504 402289511 /nfs/dbraw/zinc/28/95/11/402289511.db2.gz CGQMUTQSLZOPMH-LSDHHAIUSA-N 1 0 312.417 2.035 50 0 DEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2cc[nH]c2c1 ZINC000219627003 402299106 /nfs/dbraw/zinc/29/91/06/402299106.db2.gz YZAYKICOQWRHQG-IRXDYDNUSA-N 1 0 313.401 2.151 50 0 DEAARO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000221747559 402304572 /nfs/dbraw/zinc/30/45/72/402304572.db2.gz VREGBTOHCPMNFJ-LSDHHAIUSA-N 1 0 300.468 2.135 50 0 DEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000222486912 402307235 /nfs/dbraw/zinc/30/72/35/402307235.db2.gz MKNQFULDXRMZPN-RYUDHWBXSA-N 1 0 317.216 2.442 50 0 DEAARO CN(C(=O)C(=O)c1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000223482031 402311538 /nfs/dbraw/zinc/31/15/38/402311538.db2.gz VKJHFIWNZLQWEK-UHFFFAOYSA-N 1 0 303.406 2.032 50 0 DEAARO CN(C)[C@@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000223696965 402311978 /nfs/dbraw/zinc/31/19/78/402311978.db2.gz MDPOWFHFUWDCSE-QGZVFWFLSA-N 1 0 319.424 2.125 50 0 DEAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000229698811 402344443 /nfs/dbraw/zinc/34/44/43/402344443.db2.gz NRGZWSVNGRGALB-ARFHVFGLSA-N 1 0 311.447 2.442 50 0 DEAARO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000229659242 402344497 /nfs/dbraw/zinc/34/44/97/402344497.db2.gz CTNSQDVVUQFZNO-SJORKVTESA-N 1 0 301.386 2.036 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1F ZINC000227030187 402330473 /nfs/dbraw/zinc/33/04/73/402330473.db2.gz GLRPRRNCOSNCKW-SMDDNHRTSA-N 1 0 300.399 2.025 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000227799653 402333874 /nfs/dbraw/zinc/33/38/74/402333874.db2.gz RVLIRMSYIYQULH-BPLDGKMQSA-N 1 0 308.809 2.367 50 0 DEAARO COC(=O)c1sc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1Cl ZINC000228496695 402337194 /nfs/dbraw/zinc/33/71/94/402337194.db2.gz ZCHMZKIIOAXXCX-BDAKNGLRSA-N 1 0 315.826 2.256 50 0 DEAARO C[C@H](C(=O)Nc1ccccn1)N(C)CC[N@H+](C)C1CCCC1 ZINC000244816773 402450060 /nfs/dbraw/zinc/45/00/60/402450060.db2.gz SOBLASQLSLKOLX-CQSZACIVSA-N 1 0 304.438 2.215 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)O)cc1 ZINC000186212165 402410874 /nfs/dbraw/zinc/41/08/74/402410874.db2.gz WNOOPIIJSASNCD-CWRNSKLLSA-N 1 0 311.447 2.050 50 0 DEAARO O=C(NCc1ncccc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000241139433 402442659 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CCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@H]2CC)n1 ZINC000252477848 402654107 /nfs/dbraw/zinc/65/41/07/402654107.db2.gz WKAROOSKCVSYKE-SCRDCRAPSA-N 1 0 320.437 2.320 50 0 DEAARO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(F)cc3OC(F)F)C[C@H]2C1 ZINC000252496624 402656154 /nfs/dbraw/zinc/65/61/54/402656154.db2.gz PNDKSYBMAAIHSS-AOOOYVTPSA-N 1 0 314.307 2.061 50 0 DEAARO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(n2ccnc2)CC1 ZINC000192061860 402708962 /nfs/dbraw/zinc/70/89/62/402708962.db2.gz QWVGBMUJGSGTGF-QGZVFWFLSA-N 1 0 310.401 2.474 50 0 DEAARO Cc1c[nH+]c(C2CCC2)n1CCNS(=O)(=O)c1ccccc1 ZINC000253410807 402664111 /nfs/dbraw/zinc/66/41/11/402664111.db2.gz NTLHTZBPWKJWNF-UHFFFAOYSA-N 1 0 319.430 2.438 50 0 DEAARO C[N@@H+]1CC[C@@H](NC(=O)[C@@H](O)Cc2ccccc2)[C@H]1c1ccccc1 ZINC000253428487 402666606 /nfs/dbraw/zinc/66/66/06/402666606.db2.gz IYFLGOCLNBYDDN-CEXWTWQISA-N 1 0 324.424 2.152 50 0 DEAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257191812 402701893 /nfs/dbraw/zinc/70/18/93/402701893.db2.gz QAMVYUHAFFINJW-INIZCTEOSA-N 1 0 316.449 2.451 50 0 DEAARO CCC(C)(C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182885594 402724637 /nfs/dbraw/zinc/72/46/37/402724637.db2.gz KIFZUKNHFBRWAV-INIZCTEOSA-N 1 0 319.449 2.241 50 0 DEAARO Cc1cc(Cl)cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184411737 402842503 /nfs/dbraw/zinc/84/25/03/402842503.db2.gz WAVYREDNKAQPQR-AWEZNQCLSA-N 1 0 323.868 2.404 50 0 DEAARO Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc[nH]3)[C@@H](C)C2)s1 ZINC000195530705 402850678 /nfs/dbraw/zinc/85/06/78/402850678.db2.gz OPCZXMNOTIFGFJ-SMDDNHRTSA-N 1 0 318.446 2.420 50 0 DEAARO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000195533744 402850709 /nfs/dbraw/zinc/85/07/09/402850709.db2.gz WJRIWKRRJLTMCG-IAGOWNOFSA-N 1 0 304.434 2.489 50 0 DEAARO CC(C)CCOc1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000195543347 402850858 /nfs/dbraw/zinc/85/08/58/402850858.db2.gz LKRSZGMSAHDZCJ-INIZCTEOSA-N 1 0 306.406 2.429 50 0 DEAARO CC1(C(=O)NC[C@H](O)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000195569786 402851068 /nfs/dbraw/zinc/85/10/68/402851068.db2.gz BEOYDKJODHCZTD-KRWDZBQOSA-N 1 0 316.445 2.176 50 0 DEAARO CC(C)c1nn(C)cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000280643540 403022589 /nfs/dbraw/zinc/02/25/89/403022589.db2.gz BLMGEADTNGKMSA-GFCCVEGCSA-N 1 0 305.426 2.315 50 0 DEAARO Cc1c(Cl)cccc1N1CCC[N@H+](CCOCCO)CC1 ZINC000284340958 403264404 /nfs/dbraw/zinc/26/44/04/403264404.db2.gz CFJZKEMDKMTHMY-UHFFFAOYSA-N 1 0 312.841 2.169 50 0 DEAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)c2ccccc2F)c1 ZINC000299773955 403571056 /nfs/dbraw/zinc/57/10/56/403571056.db2.gz GTLJAKRUAALLRT-UHFFFAOYSA-N 1 0 302.305 2.323 50 0 DEAARO COCCOCC(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000299782529 403572969 /nfs/dbraw/zinc/57/29/69/403572969.db2.gz YKASKTQNDFQUSX-KRWDZBQOSA-N 1 0 320.433 2.075 50 0 DEAARO Cc1nnc(CN2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000299791867 403577486 /nfs/dbraw/zinc/57/74/86/403577486.db2.gz DJAFKOXZJZWQFP-UHFFFAOYSA-N 1 0 303.435 2.262 50 0 DEAARO CO[C@]12CC[N@H+](Cc3nc(C)n4ccccc34)[C@H]1C[C@H](O)CC2 ZINC000299798002 403578420 /nfs/dbraw/zinc/57/84/20/403578420.db2.gz DLZQTIKWHQIBEY-FHLIZLRMSA-N 1 0 315.417 2.147 50 0 DEAARO O=C(NC[C@H]1CCCC[N@@H+]1C[C@H]1CCOC1)c1ccccc1 ZINC000341286647 403885389 /nfs/dbraw/zinc/88/53/89/403885389.db2.gz PJXYAVNOSRTDJQ-NVXWUHKLSA-N 1 0 302.418 2.307 50 0 DEAARO Cc1noc(C2CCC([NH2+][C@@H]3CCN(CC(F)F)C3)CC2)n1 ZINC000333952126 403904167 /nfs/dbraw/zinc/90/41/67/403904167.db2.gz ZROYTESNEDPBGT-WXRRBKDZSA-N 1 0 314.380 2.333 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)[C@@H]1SC ZINC000241897392 286406725 /nfs/dbraw/zinc/40/67/25/286406725.db2.gz TYJDPNMHYUJJGN-ADVQIIOHSA-N 1 0 317.495 2.051 50 0 DEAARO Fc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4cnccn34)C2)cc1 ZINC000414579535 404686522 /nfs/dbraw/zinc/68/65/22/404686522.db2.gz JCPWEDLJXWOZAC-CQSZACIVSA-N 1 0 311.364 2.237 50 0 DEAARO Cn1c(SCc2cc(C3CC3)on2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426359126 405354068 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Cc1noc([C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCN2C)n1 ZINC000459525440 405942271 /nfs/dbraw/zinc/94/22/71/405942271.db2.gz NGORWBKSYVETLF-YESZJQIVSA-N 1 0 312.417 2.470 50 0 DEAARO COc1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1F ZINC000527770439 406745004 /nfs/dbraw/zinc/74/50/04/406745004.db2.gz WKCZKQRQLRBXEB-GOSISDBHSA-N 1 0 317.360 2.290 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000151053814 196623141 /nfs/dbraw/zinc/62/31/41/196623141.db2.gz ONBJZNNAVDBHLV-INIZCTEOSA-N 1 0 311.385 2.070 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000241121786 225214614 /nfs/dbraw/zinc/21/46/14/225214614.db2.gz JDWGEVKLRGRJMV-VQHPVUNQSA-N 1 0 323.481 2.365 50 0 DEAARO Cc1ccc([C@H](CNC(=O)CCn2ccnc2)[NH+](C)C)cc1 ZINC000299635657 229286670 /nfs/dbraw/zinc/28/66/70/229286670.db2.gz HLJJZBUNHHBZQT-INIZCTEOSA-N 1 0 300.406 2.001 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000299740020 229374771 /nfs/dbraw/zinc/37/47/71/229374771.db2.gz USRPDOSZARZJHD-RTXFEEFZSA-N 1 0 317.216 2.270 50 0 DEAARO CC(C)CNC(=O)CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000048060520 424829989 /nfs/dbraw/zinc/82/99/89/424829989.db2.gz YBKMHCSEHFBZOX-UHFFFAOYSA-N 1 0 309.479 2.028 50 0 DEAARO Cc1csc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000048262075 424830611 /nfs/dbraw/zinc/83/06/11/424830611.db2.gz OUDMKHUDOGBCGN-AWEZNQCLSA-N 1 0 322.478 2.264 50 0 DEAARO O=C(NCc1cc[nH]n1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000048248216 424830869 /nfs/dbraw/zinc/83/08/69/424830869.db2.gz STHMSLYIAFJFHI-ZDUSSCGKSA-N 1 0 319.434 2.108 50 0 DEAARO Cc1csc(=O)n1CC[N@H+](C)CCOc1cccc(F)c1 ZINC000048288553 424832088 /nfs/dbraw/zinc/83/20/88/424832088.db2.gz ZNCFTGQTACEFKS-UHFFFAOYSA-N 1 0 310.394 2.368 50 0 DEAARO Cc1cc(C)cc(N2CCC([NH2+]Cc3nnc(N)s3)CC2)c1 ZINC000534641456 424852758 /nfs/dbraw/zinc/85/27/58/424852758.db2.gz AJQYOYLZEUWLKZ-UHFFFAOYSA-N 1 0 317.462 2.496 50 0 DEAARO Cc1ccc(-c2noc(CN3CC[N@@H+](C)C[C@H]3C)n2)cc1F 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Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3C[NH3+])c2)nn1 ZINC000237755899 274754437 /nfs/dbraw/zinc/75/44/37/274754437.db2.gz WSGGDJDSBBUNFJ-HNNXBMFYSA-N 1 0 311.389 2.092 50 0 DEAARO c1ccc2c(c1)Cc1c(ncnc1N1C[C@@H]3CCC[NH2+][C@@H]3C1)CO2 ZINC000096130886 275070715 /nfs/dbraw/zinc/07/07/15/275070715.db2.gz DLCRJNLBARNTHD-GOEBONIOSA-N 1 0 322.412 2.148 50 0 DEAARO C[N@@H+]1CC[C@H](NC(=O)[C@@H](O)Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000253428492 277168063 /nfs/dbraw/zinc/16/80/63/277168063.db2.gz IYFLGOCLNBYDDN-FHWLQOOXSA-N 1 0 324.424 2.152 50 0 DEAARO C[C@@H](C[N@H+](C)Cc1ccc2cccc(O)c2n1)N1CCOCC1 ZINC000067919580 278240991 /nfs/dbraw/zinc/24/09/91/278240991.db2.gz PDQTVBIFDGUMMY-AWEZNQCLSA-N 1 0 315.417 2.093 50 0 DEAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095401458 278299659 /nfs/dbraw/zinc/29/96/59/278299659.db2.gz LWAILVDZLBLOEM-KKUMJFAQSA-N 1 0 312.454 2.479 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)CO)cc1 ZINC000185579141 278840670 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C[C@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000131783296 299875304 /nfs/dbraw/zinc/87/53/04/299875304.db2.gz BTWQPFCLROULFB-WMLDXEAASA-N 1 0 311.470 2.317 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2ncccc21 ZINC000195544587 295251363 /nfs/dbraw/zinc/25/13/63/295251363.db2.gz CKEYSRDNGGDIRU-GXTWGEPZSA-N 1 0 319.430 2.031 50 0 DEAARO COc1ccc(C[C@@H](C[NH3+])CO)cc1-c1cnc2[nH]ccc2c1 ZINC000935617612 782066641 /nfs/dbraw/zinc/06/66/41/782066641.db2.gz CNXJRHKVNGCYNI-ZDUSSCGKSA-N 1 0 311.385 2.300 50 0 DEAARO C/C=C\c1ccc(OCC(=O)N2CCC[C@@H]([NH2+]C)C2)c(OC)c1 ZINC000584331354 333118718 /nfs/dbraw/zinc/11/87/18/333118718.db2.gz WOOMIRHVXUQIBV-ZDTYVGOBSA-N 1 0 318.417 2.318 50 0 DEAARO CC[NH+](CC)CC1(NS(=O)(=O)c2cc(C)cs2)CC1 ZINC000534581963 334289601 /nfs/dbraw/zinc/28/96/01/334289601.db2.gz KEEDDODSKMOUFZ-UHFFFAOYSA-N 1 0 302.465 2.209 50 0 DEAARO C[C@@H](Cn1ccnc1)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534633615 334308324 /nfs/dbraw/zinc/30/83/24/334308324.db2.gz 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COc1cccc(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000169800213 568414402 /nfs/dbraw/zinc/41/44/02/568414402.db2.gz CQJSXMNUPVGWJM-UHFFFAOYSA-N 1 0 302.418 2.182 50 0 DEAARO CC(C)(CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)Oc1ccccc1 ZINC000888094346 635501468 /nfs/dbraw/zinc/50/14/68/635501468.db2.gz JJHFBQTYFKZUKA-CVEARBPZSA-N 1 0 302.418 2.491 50 0 DEAARO C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000888099660 635548966 /nfs/dbraw/zinc/54/89/66/635548966.db2.gz IJJWPFDENKCGHD-WCVJEAGWSA-N 1 0 309.498 2.199 50 0 DEAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1[C@H]1CCOC1 ZINC000011976309 635927952 /nfs/dbraw/zinc/92/79/52/635927952.db2.gz HPUGQUJAASOELE-GJZGRUSLSA-N 1 0 306.381 2.085 50 0 DEAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1[C@@H]1CCOC1 ZINC000011976300 635928047 /nfs/dbraw/zinc/92/80/47/635928047.db2.gz HPUGQUJAASOELE-LSDHHAIUSA-N 1 0 306.381 2.085 50 0 DEAARO Cc1cccc(CCSc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000426513635 636338160 /nfs/dbraw/zinc/33/81/60/636338160.db2.gz 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314.370 2.436 50 0 DEAARO CON(C)CC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000585118442 789705860 /nfs/dbraw/zinc/70/58/60/789705860.db2.gz OXAFRLCTZDFYIW-UHFFFAOYSA-N 1 0 300.406 2.432 50 0 DEAARO CC[C@@H](NC(=O)CC[N@H+](C)CCOCCOC)c1ccccc1 ZINC000585121277 789707075 /nfs/dbraw/zinc/70/70/75/789707075.db2.gz KSFFAEHNKOZZFG-QGZVFWFLSA-N 1 0 322.449 2.239 50 0 DEAARO CC(C)Oc1ccc(CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000585121621 789707622 /nfs/dbraw/zinc/70/76/22/789707622.db2.gz UFQJVPYXGTXTJX-UHFFFAOYSA-N 1 0 302.418 2.228 50 0 DEAARO C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)N1CCCC1=O ZINC000585121668 789708087 /nfs/dbraw/zinc/70/80/87/789708087.db2.gz VRFBXKQEKQDIGA-AWEZNQCLSA-N 1 0 317.433 2.130 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNCc1coc(-c2ccccc2)n1 ZINC000952873217 792790687 /nfs/dbraw/zinc/79/06/87/792790687.db2.gz IVJQBPFUFKKECZ-QGZVFWFLSA-N 1 0 315.417 2.278 50 0 DEAARO [NH3+]C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccs1 ZINC000952879432 792793044 /nfs/dbraw/zinc/79/30/44/792793044.db2.gz 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CC(C)[C@@H]1CN(Cc2ccccc2OCCO)C[C@H]1[NH+](C)C ZINC000095517688 185376666 /nfs/dbraw/zinc/37/66/66/185376666.db2.gz ZQKRXCMMZKTPRA-DLBZAZTESA-N 1 0 306.450 2.076 50 0 DEAARO Nc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)ncn1 ZINC000095519585 185377045 /nfs/dbraw/zinc/37/70/45/185377045.db2.gz VBPMIQSENWHQOK-UHFFFAOYSA-N 1 0 311.433 2.204 50 0 DEAARO CCCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095522275 185377507 /nfs/dbraw/zinc/37/75/07/185377507.db2.gz OTWDZKBYLVXFBS-QGZVFWFLSA-N 1 0 304.434 2.272 50 0 DEAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095528459 185378602 /nfs/dbraw/zinc/37/86/02/185378602.db2.gz ADGILICVTMYZFP-HZPDHXFCSA-N 1 0 324.428 2.281 50 0 DEAARO Cn1c(SCc2cc(C3CC3)on2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426359127 230789563 /nfs/dbraw/zinc/78/95/63/230789563.db2.gz WINXUQDBVSPWRV-NSHDSACASA-N 1 0 319.434 2.440 50 0 DEAARO Cc1noc(COc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)n1 ZINC000079311085 185164444 /nfs/dbraw/zinc/16/44/44/185164444.db2.gz RNUMTGZRMDOIJX-UHFFFAOYSA-N 1 0 318.377 2.236 50 0 DEAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000079285834 185163175 /nfs/dbraw/zinc/16/31/75/185163175.db2.gz PHIRATRPWZYKRT-UHFFFAOYSA-N 1 0 319.474 2.193 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059178 185238150 /nfs/dbraw/zinc/23/81/50/185238150.db2.gz ZTMVMQRCXRIQHV-SNVBAGLBSA-N 1 0 314.227 2.265 50 0 DEAARO CCn1ccnc1CN1CC[N@H+](CCc2ccncc2)C[C@H]1C ZINC000252474468 529568679 /nfs/dbraw/zinc/56/86/79/529568679.db2.gz FQCBXNNNMVTSDQ-MRXNPFEDSA-N 1 0 313.449 2.047 50 0 DEAARO FC(F)(F)CN1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000088723883 185263285 /nfs/dbraw/zinc/26/32/85/185263285.db2.gz XXKWKLIJJWZXLQ-AWEZNQCLSA-N 1 0 314.351 2.390 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2CC)n1 ZINC000089960494 185271884 /nfs/dbraw/zinc/27/18/84/185271884.db2.gz DHGZNGYFJVVWAV-UBHSHLNASA-N 1 0 308.426 2.320 50 0 DEAARO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000090074219 185280526 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/nfs/dbraw/zinc/13/88/67/193138867.db2.gz JNWHHODFHOACNI-QGZVFWFLSA-N 1 0 314.433 2.417 50 0 DEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc2ccccc2s1 ZINC000218823587 201544058 /nfs/dbraw/zinc/54/40/58/201544058.db2.gz SAARPWGSICMXLC-MSQAHXEGSA-N 1 0 316.426 2.349 50 0 DEAARO CC(=O)Nc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261625699 203083647 /nfs/dbraw/zinc/08/36/47/203083647.db2.gz DKWSCXYHFUOVLJ-ZWKOTPCHSA-N 1 0 323.396 2.212 50 0 DEAARO CC(C)c1cc(N[C@H]2CCCN(c3cnccn3)C2)nc(N)[nH+]1 ZINC000095385923 193441759 /nfs/dbraw/zinc/44/17/59/193441759.db2.gz WAHBQEQCNWXRIM-LBPRGKRZSA-N 1 0 313.409 2.053 50 0 DEAARO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000096489782 193668128 /nfs/dbraw/zinc/66/81/28/193668128.db2.gz ZBGZFSLIKHFBNC-AWEZNQCLSA-N 1 0 302.378 2.273 50 0 DEAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000008429101 181556685 /nfs/dbraw/zinc/55/66/85/181556685.db2.gz DQBFMFUGTUKBEV-AWEZNQCLSA-N 1 0 303.406 2.006 50 0 DEAARO CC[NH+]1CCC(NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000016602505 182051662 /nfs/dbraw/zinc/05/16/62/182051662.db2.gz JMAPUOWZGXTQJF-UHFFFAOYSA-N 1 0 314.788 2.458 50 0 DEAARO COc1ccc(-c2cc(C(=O)N3CCC[N@H+](C)CC3)no2)cc1 ZINC000017053261 182071493 /nfs/dbraw/zinc/07/14/93/182071493.db2.gz JHJAVSBHWNIYPV-UHFFFAOYSA-N 1 0 315.373 2.128 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000019363133 182118465 /nfs/dbraw/zinc/11/84/65/182118465.db2.gz DXIJJSKQKLBVAK-CQSZACIVSA-N 1 0 312.841 2.026 50 0 DEAARO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(C(=O)N(C)C)CC2)c1 ZINC000282992334 217375059 /nfs/dbraw/zinc/37/50/59/217375059.db2.gz NBHWSMFAZNYYTI-KRWDZBQOSA-N 1 0 319.449 2.072 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 ZINC000019782390 182148623 /nfs/dbraw/zinc/14/86/23/182148623.db2.gz ZWGBPLNDHYFUOB-HNNXBMFYSA-N 1 0 316.307 2.387 50 0 DEAARO CNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019789571 182149517 /nfs/dbraw/zinc/14/95/17/182149517.db2.gz WQTFPOVKDLNKNK-UHFFFAOYSA-N 1 0 323.440 2.364 50 0 DEAARO COCCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019808075 182152521 /nfs/dbraw/zinc/15/25/21/182152521.db2.gz WLTVGIBNWYWLMQ-UHFFFAOYSA-N 1 0 308.397 2.190 50 0 DEAARO CC[NH+](CC)CCOc1ccc(Br)cc1C(N)=O ZINC000019881217 182160042 /nfs/dbraw/zinc/16/00/42/182160042.db2.gz BHADEMXTYMCLDK-UHFFFAOYSA-N 1 0 315.211 2.269 50 0 DEAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CCC(=O)NC(N)=O)cc1 ZINC000022065085 182307890 /nfs/dbraw/zinc/30/78/90/182307890.db2.gz GEZDEWUSJXHROC-HNNXBMFYSA-N 1 0 319.405 2.197 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC000022693949 182330962 /nfs/dbraw/zinc/33/09/62/182330962.db2.gz VSYCNEHMXCJXST-LLVKDONJSA-N 1 0 300.786 2.020 50 0 DEAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)[NH+](C)C)c1C ZINC000022754759 182332534 /nfs/dbraw/zinc/33/25/34/182332534.db2.gz BZTOCZNCHHDUTE-ZDUSSCGKSA-N 1 0 323.437 2.124 50 0 DEAARO CCCCOC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023118557 182348534 /nfs/dbraw/zinc/34/85/34/182348534.db2.gz 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C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2cc(C)ccc2OC)C1 ZINC000493565707 249325622 /nfs/dbraw/zinc/32/56/22/249325622.db2.gz XHKMTEJIVWPLHU-SOIVGHGOSA-N 1 0 302.418 2.475 50 0 DEAARO O=C(NCc1ccco1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000042310032 183253501 /nfs/dbraw/zinc/25/35/01/183253501.db2.gz IUJWBMUOSKACEU-UHFFFAOYSA-N 1 0 323.462 2.440 50 0 DEAARO Cc1cnc(C)c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000273906997 211162181 /nfs/dbraw/zinc/16/21/81/211162181.db2.gz WXDZCLIZMZUONL-QGZVFWFLSA-N 1 0 312.417 2.272 50 0 DEAARO CC[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)C(=O)Nc1cc(C)on1 ZINC000106668553 194241977 /nfs/dbraw/zinc/24/19/77/194241977.db2.gz SREOEYSOSYDTQA-AVGNSLFASA-N 1 0 305.382 2.136 50 0 DEAARO CCCc1noc([C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000106781290 194251411 /nfs/dbraw/zinc/25/14/11/194251411.db2.gz LPYAMEPDSAYNCJ-KBPBESRZSA-N 1 0 324.469 2.108 50 0 DEAARO CC[C@H]1CN([C@H](C)c2nc(C3CC3)no2)CC[N@@H+]1CCOC ZINC000106777246 194252008 /nfs/dbraw/zinc/25/20/08/194252008.db2.gz 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CCN(CC)c1ccc(NC(=O)NCC[N@H+](C)C(C)C)cn1 ZINC000065535747 184362400 /nfs/dbraw/zinc/36/24/00/184362400.db2.gz HCRYRWJXBBTJGT-UHFFFAOYSA-N 1 0 307.442 2.390 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 ZINC000158966677 197315224 /nfs/dbraw/zinc/31/52/24/197315224.db2.gz IFMSZDOWTMNUNT-HNNXBMFYSA-N 1 0 312.417 2.252 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000158237176 197256010 /nfs/dbraw/zinc/25/60/10/197256010.db2.gz LYQPYJHGKYOXMV-NSHDSACASA-N 1 0 306.353 2.143 50 0 DEAARO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000158165752 197249245 /nfs/dbraw/zinc/24/92/45/197249245.db2.gz HQXGYXPJXPTHCB-MRXNPFEDSA-N 1 0 317.458 2.305 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000120641587 195207360 /nfs/dbraw/zinc/20/73/60/195207360.db2.gz AFPPGAIGGKEGTR-LBPRGKRZSA-N 1 0 320.414 2.345 50 0 DEAARO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000289966172 221348590 /nfs/dbraw/zinc/34/85/90/221348590.db2.gz 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CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000000240448 401691893 /nfs/dbraw/zinc/69/18/93/401691893.db2.gz TWINAQGAIHIRHU-HNNXBMFYSA-N 1 0 318.417 2.496 50 0 DEAARO Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071883810 401692298 /nfs/dbraw/zinc/69/22/98/401692298.db2.gz BAZZTLFVPBLMLQ-CQSZACIVSA-N 1 0 315.417 2.067 50 0 DEAARO CC(C)=CC[NH+]1CCC(NC(=O)Cc2ccccc2O)CC1 ZINC000071886038 401692333 /nfs/dbraw/zinc/69/23/33/401692333.db2.gz PTNKWDSGCBFXMX-UHFFFAOYSA-N 1 0 302.418 2.482 50 0 DEAARO Cc1cc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(C)s1 ZINC000071905643 401695682 /nfs/dbraw/zinc/69/56/82/401695682.db2.gz RMXISQKWWCMNJP-UHFFFAOYSA-N 1 0 323.506 2.368 50 0 DEAARO O=C(CC1=CCCCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071914476 401696948 /nfs/dbraw/zinc/69/69/48/401696948.db2.gz HSAJOBQZGMCJRD-INIZCTEOSA-N 1 0 306.450 2.494 50 0 DEAARO OC[C@H]1CCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000071920948 401697339 /nfs/dbraw/zinc/69/73/39/401697339.db2.gz RWLZUQSTUDEGQZ-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/76/36/05/401763605.db2.gz XDSPJPAKJQDQNP-OAHLLOKOSA-N 1 0 309.406 2.415 50 0 DEAARO Cc1ccccc1CS(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000010280007 401769288 /nfs/dbraw/zinc/76/92/88/401769288.db2.gz AMSWCJSCXYKVCG-UHFFFAOYSA-N 1 0 310.463 2.290 50 0 DEAARO Cc1ncsc1C[N@@H+]1CC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000075877035 401772566 /nfs/dbraw/zinc/77/25/66/401772566.db2.gz YDEUKPACJHEDGB-LBPRGKRZSA-N 1 0 315.446 2.417 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(NC2CC2)nc1 ZINC000011813036 401776862 /nfs/dbraw/zinc/77/68/62/401776862.db2.gz MIZDBPLRHGIVQG-OAHLLOKOSA-N 1 0 302.422 2.260 50 0 DEAARO CC[NH+](CC)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000011933256 401778197 /nfs/dbraw/zinc/77/81/97/401778197.db2.gz DKHVWCAVFXMYSP-QGZVFWFLSA-N 1 0 308.397 2.021 50 0 DEAARO CC(=O)N1CCN(c2ncccc2C[NH2+]CC2CCCC2)CC1 ZINC000012056488 401778856 /nfs/dbraw/zinc/77/88/56/401778856.db2.gz NNNOFIRKPHJXSH-UHFFFAOYSA-N 1 0 316.449 2.030 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCc3ccccc32)n1 ZINC000076081878 401780978 /nfs/dbraw/zinc/78/09/78/401780978.db2.gz HRGAYPHTCZZDNG-HNNXBMFYSA-N 1 0 313.405 2.254 50 0 DEAARO CC(C)C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000012197099 401781274 /nfs/dbraw/zinc/78/12/74/401781274.db2.gz IIBOOQKVRWNZLX-CQSZACIVSA-N 1 0 304.390 2.324 50 0 DEAARO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000012359104 401783862 /nfs/dbraw/zinc/78/38/62/401783862.db2.gz KMWBSXFVUCPBFD-GFCCVEGCSA-N 1 0 302.415 2.114 50 0 DEAARO C[NH+](C)CCCC(=O)Nc1nnc2[n-][nH+]c(-c3ccccc3)cc1-2 ZINC000012354907 401783945 /nfs/dbraw/zinc/78/39/45/401783945.db2.gz LDHIZDYQCCLGRS-UHFFFAOYSA-N 1 0 324.388 2.300 50 0 DEAARO Cn1nccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012578712 401788374 /nfs/dbraw/zinc/78/83/74/401788374.db2.gz XFCNVPSHROPJDI-MRXNPFEDSA-N 1 0 312.417 2.157 50 0 DEAARO Cc1nonc1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012717678 401790300 /nfs/dbraw/zinc/79/03/00/401790300.db2.gz MUCJOKNGYLUBNI-ZDUSSCGKSA-N 1 0 306.410 2.295 50 0 DEAARO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)cn1 ZINC000012753337 401790795 /nfs/dbraw/zinc/79/07/95/401790795.db2.gz ODNPATHVSBDZTG-OAHLLOKOSA-N 1 0 304.438 2.035 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCOC1 ZINC000076388564 401793783 /nfs/dbraw/zinc/79/37/83/401793783.db2.gz ZCAVCVKHYBJBQU-NVXWUHKLSA-N 1 0 302.418 2.146 50 0 DEAARO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000128838083 401794060 /nfs/dbraw/zinc/79/40/60/401794060.db2.gz SYJVCYDTYSXWGB-HUUCEWRRSA-N 1 0 301.390 2.035 50 0 DEAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000130241097 401824049 /nfs/dbraw/zinc/82/40/49/401824049.db2.gz VTXXZKGMYSHXSF-AWEZNQCLSA-N 1 0 308.447 2.113 50 0 DEAARO CC(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793222 401847464 /nfs/dbraw/zinc/84/74/64/401847464.db2.gz QNOXLYMWNFTRFS-INIZCTEOSA-N 1 0 323.868 2.401 50 0 DEAARO CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1 ZINC000028621856 401852899 /nfs/dbraw/zinc/85/28/99/401852899.db2.gz UVZYBGCFPHDCND-CQSZACIVSA-N 1 0 303.362 2.499 50 0 DEAARO CC[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000030144472 401861054 /nfs/dbraw/zinc/86/10/54/401861054.db2.gz XPAGVCVWRMWMPP-NSHDSACASA-N 1 0 309.435 2.298 50 0 DEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccccn3)c2)C1 ZINC000078714228 401863165 /nfs/dbraw/zinc/86/31/65/401863165.db2.gz HBKHEEPGOPDHEE-QGZVFWFLSA-N 1 0 324.428 2.391 50 0 DEAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000078890935 401868002 /nfs/dbraw/zinc/86/80/02/401868002.db2.gz LCJBMADSOILRRC-OAHLLOKOSA-N 1 0 304.369 2.223 50 0 DEAARO CCCCNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014745014 401813141 /nfs/dbraw/zinc/81/31/41/401813141.db2.gz BSQXXUKWWNXQCH-UONOGXRCSA-N 1 0 308.397 2.347 50 0 DEAARO c1cc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cs1 ZINC000014993334 401814414 /nfs/dbraw/zinc/81/44/14/401814414.db2.gz ALCHEPFZFPFTSJ-CYBMUJFWSA-N 1 0 304.419 2.249 50 0 DEAARO O=C(Nc1ccnn1C1CC[NH+](C2CCC2)CC1)[C@@H]1CCOC1 ZINC000015079007 401815834 /nfs/dbraw/zinc/81/58/34/401815834.db2.gz OHSLZRZLXBJRDI-CYBMUJFWSA-N 1 0 318.421 2.048 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000041028275 401927046 /nfs/dbraw/zinc/92/70/46/401927046.db2.gz VTDMTURNUOAKSB-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CC1 ZINC000041617339 401929537 /nfs/dbraw/zinc/92/95/37/401929537.db2.gz YHUDTCPVWAWHNC-HNNXBMFYSA-N 1 0 301.434 2.113 50 0 DEAARO C[C@@H](CNS(=O)(=O)c1ccccc1F)[N@@H+]1CCCC[C@H]1C ZINC000032441028 401878918 /nfs/dbraw/zinc/87/89/18/401878918.db2.gz JPSUMHDGJXYAHH-OLZOCXBDSA-N 1 0 314.426 2.367 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccccc32)C1 ZINC000032902620 401885177 /nfs/dbraw/zinc/88/51/77/401885177.db2.gz MHWGOWCSOXVKTP-AWEZNQCLSA-N 1 0 315.417 2.255 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000032930016 401886551 /nfs/dbraw/zinc/88/65/51/401886551.db2.gz HDMOLELJYCHRQM-CQSZACIVSA-N 1 0 315.417 2.202 50 0 DEAARO CCC[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)C[C@H]1[NH+](C)C ZINC000082087570 401899594 /nfs/dbraw/zinc/89/95/94/401899594.db2.gz JLDGDANCLUDBQU-UKRRQHHQSA-N 1 0 308.397 2.263 50 0 DEAARO O=C([C@H]1Cc2ccccc2N1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000035686506 401900522 /nfs/dbraw/zinc/90/05/22/401900522.db2.gz GEAJNKIKQUDEOB-LJQANCHMSA-N 1 0 321.424 2.050 50 0 DEAARO COCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036100460 401902771 /nfs/dbraw/zinc/90/27/71/401902771.db2.gz OWUMRJJIEYDJHN-GOSISDBHSA-N 1 0 309.450 2.477 50 0 DEAARO Fc1ccc2nc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)oc2c1 ZINC000084459489 401906075 /nfs/dbraw/zinc/90/60/75/401906075.db2.gz ALPRDIFOLHECKK-ZDUSSCGKSA-N 1 0 319.380 2.121 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc2c1OCCCO2 ZINC000134670855 401910709 /nfs/dbraw/zinc/91/07/09/401910709.db2.gz ODUAPAHQXBSQTK-HNNXBMFYSA-N 1 0 318.417 2.339 50 0 DEAARO COc1ccc(CC[C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000037269775 401911456 /nfs/dbraw/zinc/91/14/56/401911456.db2.gz QQLIJDBYEQBHQP-CYBMUJFWSA-N 1 0 311.447 2.183 50 0 DEAARO C[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000037647671 401916478 /nfs/dbraw/zinc/91/64/78/401916478.db2.gz YXUUNMJBXIMUAL-JTQLQIEISA-N 1 0 322.352 2.344 50 0 DEAARO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1sc(C)nc1C ZINC000089559181 401952101 /nfs/dbraw/zinc/95/21/01/401952101.db2.gz DZQPJQIOPCZNNJ-LLVKDONJSA-N 1 0 300.449 2.240 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000046035129 401964996 /nfs/dbraw/zinc/96/49/96/401964996.db2.gz YUIQAHYRLMEHMZ-CYBMUJFWSA-N 1 0 310.463 2.314 50 0 DEAARO COc1ccccc1OCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000046701442 401971912 /nfs/dbraw/zinc/97/19/12/401971912.db2.gz DIJNHPROAJWNNR-UHFFFAOYSA-N 1 0 306.406 2.065 50 0 DEAARO O=C(Nc1ccccc1F)c1nnc(C2CC[NH2+]CC2)s1 ZINC000047218824 401980275 /nfs/dbraw/zinc/98/02/75/401980275.db2.gz WEQFVYMTFBRTGC-UHFFFAOYSA-N 1 0 306.366 2.397 50 0 DEAARO O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCC[NH2+]C2)s1 ZINC000047218822 401980313 /nfs/dbraw/zinc/98/03/13/401980313.db2.gz SZNFZUDKMIWSRV-VIFPVBQESA-N 1 0 306.366 2.397 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC(O)CC1 ZINC000044893068 401949540 /nfs/dbraw/zinc/94/95/40/401949540.db2.gz CRSLMXVESQQVHC-AWEZNQCLSA-N 1 0 323.462 2.051 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1ncnc2nc(C)cc(C)c21 ZINC000095356078 402026879 /nfs/dbraw/zinc/02/68/79/402026879.db2.gz MSBVSADKDCMDBU-KBPBESRZSA-N 1 0 315.421 2.161 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)c1C ZINC000095364104 402028238 /nfs/dbraw/zinc/02/82/38/402028238.db2.gz MGWOGPSTRAAZGH-MRXNPFEDSA-N 1 0 306.454 2.053 50 0 DEAARO CN(C)[C@H](C(=O)NCCC[NH+]1CCCC1)c1ccccc1F ZINC000095385052 402031251 /nfs/dbraw/zinc/03/12/51/402031251.db2.gz JRQQDYXWACXVOK-INIZCTEOSA-N 1 0 307.413 2.031 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@H](c2ccc(C)o2)N(C)C)CC1 ZINC000095385488 402031317 /nfs/dbraw/zinc/03/13/17/402031317.db2.gz RXLVZXKKKUFJNY-MRXNPFEDSA-N 1 0 321.465 2.429 50 0 DEAARO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@H]1CCOc3ccccc3C1)C2 ZINC000095511761 402033642 /nfs/dbraw/zinc/03/36/42/402033642.db2.gz WXXSBYVSBHYOGO-ZDUSSCGKSA-N 1 0 311.385 2.035 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1COc2ccccc2C1 ZINC000095503635 402033903 /nfs/dbraw/zinc/03/39/03/402033903.db2.gz YSFLYLILEJPPBP-OAHLLOKOSA-N 1 0 311.385 2.169 50 0 DEAARO Cc1sc2[nH]c(C[NH2+][C@H](CCO)C(C)C)nc(=O)c2c1C ZINC000095941178 402034984 /nfs/dbraw/zinc/03/49/84/402034984.db2.gz RICQTIXDWMOCJA-LLVKDONJSA-N 1 0 309.435 2.098 50 0 DEAARO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cn1cccn1 ZINC000051558495 402035333 /nfs/dbraw/zinc/03/53/33/402035333.db2.gz AQXVKTGGGPPHCC-CQSZACIVSA-N 1 0 324.222 2.139 50 0 DEAARO Cc1noc(C)c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095954045 402036019 /nfs/dbraw/zinc/03/60/19/402036019.db2.gz JCZXCFAHPTXOKO-AWEZNQCLSA-N 1 0 305.353 2.463 50 0 DEAARO CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000095963218 402037525 /nfs/dbraw/zinc/03/75/25/402037525.db2.gz FYBYKJQQYLWPGM-KRWDZBQOSA-N 1 0 319.449 2.357 50 0 DEAARO COc1ccc(CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1OC ZINC000095964881 402037757 /nfs/dbraw/zinc/03/77/57/402037757.db2.gz DJPKSGABMKQRFB-DZGCQCFKSA-N 1 0 304.434 2.461 50 0 DEAARO CCC(CC)(C[NH2+]C1CCN(CC(C)C)CC1)S(C)(=O)=O ZINC000095968754 402038680 /nfs/dbraw/zinc/03/86/80/402038680.db2.gz SAKROHBQTNTPGJ-UHFFFAOYSA-N 1 0 318.527 2.300 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1 ZINC000095971146 402038834 /nfs/dbraw/zinc/03/88/34/402038834.db2.gz BKURXVVWSIBHAV-JKSUJKDBSA-N 1 0 322.474 2.284 50 0 DEAARO C[C@@H]1C[NH+](C[C@H](O)Cn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 ZINC000095974707 402040008 /nfs/dbraw/zinc/04/00/08/402040008.db2.gz NIHLRDJQLMTERH-RKVPGOIHSA-N 1 0 315.417 2.020 50 0 DEAARO CC1CC[NH+](C[C@H](O)CNC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000095984155 402042350 /nfs/dbraw/zinc/04/23/50/402042350.db2.gz ZIOPXOPTKGXAEK-HRCADAONSA-N 1 0 311.470 2.052 50 0 DEAARO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000095986742 402042552 /nfs/dbraw/zinc/04/25/52/402042552.db2.gz IOXJQUZWHZUKJO-GFCCVEGCSA-N 1 0 316.854 2.269 50 0 DEAARO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3cccn3)ccc2NC1=O ZINC000095985457 402042574 /nfs/dbraw/zinc/04/25/74/402042574.db2.gz NAQYSBSSCLVLEC-SWLSCSKDSA-N 1 0 314.389 2.343 50 0 DEAARO CC(C)(C)[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(F)c1 ZINC000095985797 402042581 /nfs/dbraw/zinc/04/25/81/402042581.db2.gz MWPSSUYKJLJAPQ-CQSZACIVSA-N 1 0 307.369 2.054 50 0 DEAARO O=C1NCc2c(N3CC[NH2+]CC3)cccc2N1Cc1ccccc1 ZINC000052508051 402042974 /nfs/dbraw/zinc/04/29/74/402042974.db2.gz QDEHEDMGJOKOIM-UHFFFAOYSA-N 1 0 322.412 2.326 50 0 DEAARO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cc(C(N)=O)cs1)O2 ZINC000095991143 402043717 /nfs/dbraw/zinc/04/37/17/402043717.db2.gz PWGGDLDVJPAEMM-ULKWEWGCSA-N 1 0 324.446 2.258 50 0 DEAARO Cc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)n1 ZINC000096011624 402047045 /nfs/dbraw/zinc/04/70/45/402047045.db2.gz QOMOUCCLBDSIAD-CQSZACIVSA-N 1 0 306.406 2.113 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000053203152 402052765 /nfs/dbraw/zinc/05/27/65/402052765.db2.gz XZTPNUGEAKIXTP-VIFPVBQESA-N 1 0 323.245 2.366 50 0 DEAARO Cc1cccc(/C=C\C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000096054803 402052951 /nfs/dbraw/zinc/05/29/51/402052951.db2.gz RIANUNRWILABCF-OOFWQKGWSA-N 1 0 314.429 2.189 50 0 DEAARO CCc1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)[nH]n1 ZINC000097249707 402119984 /nfs/dbraw/zinc/11/99/84/402119984.db2.gz DPDCDJRDSAKHBC-MRXNPFEDSA-N 1 0 316.405 2.013 50 0 DEAARO CC(C)N(Cc1ccccc1Cl)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055243757 402078576 /nfs/dbraw/zinc/07/85/76/402078576.db2.gz IICXDFJXQVKROF-AWEZNQCLSA-N 1 0 310.825 2.456 50 0 DEAARO C[N@@H+]1CCC[C@@H](N2CCN(CCSc3ccccc3)CC2)C1 ZINC000096410347 402079248 /nfs/dbraw/zinc/07/92/48/402079248.db2.gz HPOHXEGMFAORGH-QGZVFWFLSA-N 1 0 319.518 2.491 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]nc2ccccc21 ZINC000055401179 402081546 /nfs/dbraw/zinc/08/15/46/402081546.db2.gz SEOPVZLYDXNNMR-QWHCGFSZSA-N 1 0 300.406 2.413 50 0 DEAARO O=C1CCCN1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000096424356 402083078 /nfs/dbraw/zinc/08/30/78/402083078.db2.gz JRTPOEGWKRSAHY-UHFFFAOYSA-N 1 0 312.417 2.365 50 0 DEAARO Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000096430758 402085129 /nfs/dbraw/zinc/08/51/29/402085129.db2.gz IVZZWMUOTUQCJI-QAPCUYQASA-N 1 0 316.445 2.453 50 0 DEAARO C[C@H]([NH2+]C1Cc2ccccc2C1)c1nnnn1-c1ccccc1 ZINC000096477790 402093546 /nfs/dbraw/zinc/09/35/46/402093546.db2.gz HZHHLXILIQLJTL-ZDUSSCGKSA-N 1 0 305.385 2.480 50 0 DEAARO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCc1cc(F)cc(F)c1 ZINC000096491752 402095813 /nfs/dbraw/zinc/09/58/13/402095813.db2.gz IESAKJYTCBADTM-LSDHHAIUSA-N 1 0 317.401 2.453 50 0 DEAARO CC(C)[NH+](CCN(C)C(=O)c1cnc2c(c1)ncn2C)C(C)C ZINC000096500457 402097477 /nfs/dbraw/zinc/09/74/77/402097477.db2.gz AXANTLJXQAKTEJ-UHFFFAOYSA-N 1 0 317.437 2.159 50 0 DEAARO CCc1cc2c(ncnc2N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000058325869 402099856 /nfs/dbraw/zinc/09/98/56/402099856.db2.gz CVKSIOJIAFBYGE-UHFFFAOYSA-N 1 0 320.462 2.147 50 0 DEAARO COc1c(C[NH2+]C[C@H](c2ccsc2)N(C)C)c(C)nn1C ZINC000058343030 402100453 /nfs/dbraw/zinc/10/04/53/402100453.db2.gz IROLCVCACFYECJ-CQSZACIVSA-N 1 0 308.451 2.191 50 0 DEAARO c1cc2n(n1)C[C@@H](C[NH2+]CCc1cccc3cccnc31)CN2 ZINC000058379678 402101158 /nfs/dbraw/zinc/10/11/58/402101158.db2.gz KXZONMRVBLLTPZ-AWEZNQCLSA-N 1 0 307.401 2.305 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000097036838 402101211 /nfs/dbraw/zinc/10/12/11/402101211.db2.gz AYLUXMJYXMGIJG-LSDHHAIUSA-N 1 0 311.470 2.317 50 0 DEAARO CC(C)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000097039049 402101586 /nfs/dbraw/zinc/10/15/86/402101586.db2.gz GYTQKXIYKKUWRR-CQSZACIVSA-N 1 0 304.500 2.461 50 0 DEAARO CC1([C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)OCCO1 ZINC000097086580 402106138 /nfs/dbraw/zinc/10/61/38/402106138.db2.gz OIAZTCNNHAWBIV-HOCLYGCPSA-N 1 0 309.381 2.334 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000097092806 402106819 /nfs/dbraw/zinc/10/68/19/402106819.db2.gz YISJUXSNYPUJRW-QWHCGFSZSA-N 1 0 307.825 2.116 50 0 DEAARO CCc1nnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000061719698 402108312 /nfs/dbraw/zinc/10/83/12/402108312.db2.gz ZIVVJFNOEANRFR-UHFFFAOYSA-N 1 0 322.416 2.009 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061884057 402109047 /nfs/dbraw/zinc/10/90/47/402109047.db2.gz XNOMNOLMVNIDFN-GXSJLCMTSA-N 1 0 322.352 2.111 50 0 DEAARO Cc1c(CNc2cnn(CC[NH+]3CCCCC3)c2)cnn1C ZINC000097113918 402109522 /nfs/dbraw/zinc/10/95/22/402109522.db2.gz ZRFFGEUEKIURKI-UHFFFAOYSA-N 1 0 302.426 2.023 50 0 DEAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203304 402117666 /nfs/dbraw/zinc/11/76/66/402117666.db2.gz IVGKPXYHLGSJNA-QGZVFWFLSA-N 1 0 312.417 2.419 50 0 DEAARO Cc1n[nH]c(C)c1CCC(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000096148223 402062133 /nfs/dbraw/zinc/06/21/33/402062133.db2.gz RWWMHZXYXVZLBD-GFCCVEGCSA-N 1 0 304.438 2.044 50 0 DEAARO C[N@@H+]1CCC[C@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000097574981 402127358 /nfs/dbraw/zinc/12/73/58/402127358.db2.gz UETJQPATQAMBMX-KRWDZBQOSA-N 1 0 315.461 2.430 50 0 DEAARO Cc1cccc(Cl)c1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097681924 402130473 /nfs/dbraw/zinc/13/04/73/402130473.db2.gz TUBNRSNQUVHIJL-ZDUSSCGKSA-N 1 0 322.840 2.160 50 0 DEAARO Cc1cccc(Cl)c1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097681923 402130630 /nfs/dbraw/zinc/13/06/30/402130630.db2.gz TUBNRSNQUVHIJL-CYBMUJFWSA-N 1 0 322.840 2.160 50 0 DEAARO c1ncn(-c2ccc(C[NH2+]CCc3cn4c(n3)CCCC4)cc2)n1 ZINC000097731762 402131535 /nfs/dbraw/zinc/13/15/35/402131535.db2.gz HHEQFEWZAPMZSP-UHFFFAOYSA-N 1 0 322.416 2.132 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc3nccnc32)C1 ZINC000097758048 402132148 /nfs/dbraw/zinc/13/21/48/402132148.db2.gz IPWSKEIWHSVLJV-ZDUSSCGKSA-N 1 0 310.401 2.329 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000098055884 402135247 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CNc1cc(C)nc(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)n1 ZINC000067973564 402181051 /nfs/dbraw/zinc/18/10/51/402181051.db2.gz ZKTKORDACHMVQT-NSHDSACASA-N 1 0 304.781 2.409 50 0 DEAARO OC[C@H]1CCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067966641 402181159 /nfs/dbraw/zinc/18/11/59/402181159.db2.gz FDIPUKKSQVHJCK-MRXNPFEDSA-N 1 0 308.385 2.353 50 0 DEAARO C[NH+](C)Cc1ccc(Oc2ccc(CS(C)(=O)=O)cn2)cc1 ZINC000067983416 402181667 /nfs/dbraw/zinc/18/16/67/402181667.db2.gz BSYVASUDNBHBLN-UHFFFAOYSA-N 1 0 320.414 2.480 50 0 DEAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2nc3c(s2)CCCC3)C1 ZINC000067983102 402181748 /nfs/dbraw/zinc/18/17/48/402181748.db2.gz FHPOQXVUWFRVOK-LBPRGKRZSA-N 1 0 307.463 2.484 50 0 DEAARO C[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H](C)[NH2+]1 ZINC000153948723 402182468 /nfs/dbraw/zinc/18/24/68/402182468.db2.gz AGHXSJJDKJHDFR-PHIMTYICSA-N 1 0 302.403 2.028 50 0 DEAARO COc1ccc2nc(C)cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000154120202 402193615 /nfs/dbraw/zinc/19/36/15/402193615.db2.gz OKAFMVAUMJRPGK-BETUJISGSA-N 1 0 313.401 2.374 50 0 DEAARO O[C@@H](COc1ccccc1Cl)CN1CCOC2(CCC2)C1 ZINC000154264814 402202073 /nfs/dbraw/zinc/20/20/73/402202073.db2.gz HGYSITBGYHUKLL-CYBMUJFWSA-N 1 0 311.809 2.335 50 0 DEAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)C1([NH3+])CCC1 ZINC000067434627 402158928 /nfs/dbraw/zinc/15/89/28/402158928.db2.gz SDHVEPUEEDNNDL-UHFFFAOYSA-N 1 0 324.428 2.216 50 0 DEAARO COC[C@H]1CC[N@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C1 ZINC000067472689 402160738 /nfs/dbraw/zinc/16/07/38/402160738.db2.gz ZDMUAOPSCLEKLE-LBPRGKRZSA-N 1 0 302.374 2.005 50 0 DEAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(CC2CC2)C1=O ZINC000067654780 402166682 /nfs/dbraw/zinc/16/66/82/402166682.db2.gz GGEBNNSYWVFKLW-QGZVFWFLSA-N 1 0 307.438 2.123 50 0 DEAARO Cc1n[nH]c(C)c1CCC[NH2+][C@H](C)C(=O)Nc1nccs1 ZINC000067694594 402167700 /nfs/dbraw/zinc/16/77/00/402167700.db2.gz LXEUVOXREJVKPE-LLVKDONJSA-N 1 0 307.423 2.032 50 0 DEAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCCCCC2)C1 ZINC000067723193 402169680 /nfs/dbraw/zinc/16/96/80/402169680.db2.gz XHHLRQQYXOSIGF-INIZCTEOSA-N 1 0 323.481 2.016 50 0 DEAARO Cc1cc(C)c(C[NH+]2CCC3(CC2)C(=O)NCCN3C)c(C)c1 ZINC000067841612 402174850 /nfs/dbraw/zinc/17/48/50/402174850.db2.gz KODGRLJQSOLBTD-UHFFFAOYSA-N 1 0 315.461 2.008 50 0 DEAARO CC[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@H](C)CCO ZINC000067910074 402177904 /nfs/dbraw/zinc/17/79/04/402177904.db2.gz LMZBYNLPKKVFSH-GFCCVEGCSA-N 1 0 304.390 2.130 50 0 DEAARO O=C(NCC1CC1)C1([NH2+]Cc2ccc3c[nH]nc3c2)CCCC1 ZINC000154570339 402218837 /nfs/dbraw/zinc/21/88/37/402218837.db2.gz LJKAIULFQGWEDN-UHFFFAOYSA-N 1 0 312.417 2.492 50 0 DEAARO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)[C@H](C)n1cccn1 ZINC000069372374 402220496 /nfs/dbraw/zinc/22/04/96/402220496.db2.gz ZWUKVWYBQMBHHP-KBPBESRZSA-N 1 0 310.405 2.418 50 0 DEAARO C[C@@H](O)C[NH+]1CCC(CNc2ncnc3ccsc32)CC1 ZINC000069368778 402220804 /nfs/dbraw/zinc/22/08/04/402220804.db2.gz MTWHWLOWUXUZEY-LLVKDONJSA-N 1 0 306.435 2.196 50 0 DEAARO CS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069437318 402223468 /nfs/dbraw/zinc/22/34/68/402223468.db2.gz USYMKNVXKFLXMG-JKSUJKDBSA-N 1 0 308.447 2.075 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000069464301 402225319 /nfs/dbraw/zinc/22/53/19/402225319.db2.gz QHJLIYJJUVJSBS-UHFFFAOYSA-N 1 0 305.378 2.365 50 0 DEAARO O=C([C@H]([NH2+]CCn1cccn1)c1ccccc1)N1CCCCC1 ZINC000069485255 402225787 /nfs/dbraw/zinc/22/57/87/402225787.db2.gz NXPMGZYMINABJR-QGZVFWFLSA-N 1 0 312.417 2.227 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000069582941 402232135 /nfs/dbraw/zinc/23/21/35/402232135.db2.gz WUKPCAFDDJQLPE-MRXNPFEDSA-N 1 0 314.433 2.206 50 0 DEAARO C[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000069655795 402236997 /nfs/dbraw/zinc/23/69/97/402236997.db2.gz ZFQGGUGRMMMYTQ-NVXWUHKLSA-N 1 0 324.513 2.233 50 0 DEAARO CC[C@@H]1CN(c2ncnc3sccc32)CC[N@@H+]1CCOC ZINC000069779879 402244118 /nfs/dbraw/zinc/24/41/18/402244118.db2.gz 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402251025 /nfs/dbraw/zinc/25/10/25/402251025.db2.gz NEYZRESTESYEFC-UHFFFAOYSA-N 1 0 314.433 2.434 50 0 DEAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000069928387 402251901 /nfs/dbraw/zinc/25/19/01/402251901.db2.gz VZJMTMLZRSFWNT-IRXDYDNUSA-N 1 0 301.434 2.490 50 0 DEAARO Cn1cc(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cn1 ZINC000225791111 402323930 /nfs/dbraw/zinc/32/39/30/402323930.db2.gz FSPASOBJDWCCIS-HNNXBMFYSA-N 1 0 320.824 2.035 50 0 DEAARO Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)ccc1-n1cncn1 ZINC000195573503 402273667 /nfs/dbraw/zinc/27/36/67/402273667.db2.gz YXBUEWDVWAHGJU-QGZVFWFLSA-N 1 0 322.416 2.437 50 0 DEAARO Cc1nc[nH]c1C(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000071589681 402275605 /nfs/dbraw/zinc/27/56/05/402275605.db2.gz SUXLMWWTZYGZJN-QGZVFWFLSA-N 1 0 324.428 2.033 50 0 DEAARO Cc1nn(CCO)cc1C[N@H+](C)CCn1ccc2ccccc21 ZINC000215095178 402281335 /nfs/dbraw/zinc/28/13/35/402281335.db2.gz RNZHEAWTSFPGRR-UHFFFAOYSA-N 1 0 312.417 2.271 50 0 DEAARO 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O=C(C[NH2+]C1CC1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000195554754 402851004 /nfs/dbraw/zinc/85/10/04/402851004.db2.gz ADEVASUFOJBOFW-CYBMUJFWSA-N 1 0 308.809 2.462 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269306079 403129524 /nfs/dbraw/zinc/12/95/24/403129524.db2.gz ZBWIBEMOVINKHP-RWSFTLGLSA-N 1 0 308.809 2.229 50 0 DEAARO CCc1nc(C)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000342777403 403345702 /nfs/dbraw/zinc/34/57/02/403345702.db2.gz KTVDKHYJTLFRJS-MRXNPFEDSA-N 1 0 318.465 2.429 50 0 DEAARO Cc1cccc2c(O)c(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cnc12 ZINC000332202839 403513645 /nfs/dbraw/zinc/51/36/45/403513645.db2.gz ZJQPTDHLAVFSHI-CYBMUJFWSA-N 1 0 313.401 2.003 50 0 DEAARO COc1cc(F)c(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c(F)c1 ZINC000299757599 403567046 /nfs/dbraw/zinc/56/70/46/403567046.db2.gz KWUVDHYZHIRIIB-CDMJZVDBSA-N 1 0 324.371 2.386 50 0 DEAARO C[NH+]1CCC(CCC(=O)NCc2ccc3[nH]cnc3c2)CC1 ZINC000299772606 403570937 /nfs/dbraw/zinc/57/09/37/403570937.db2.gz AAPDSBPNICEXCX-UHFFFAOYSA-N 1 0 300.406 2.301 50 0 DEAARO Cc1ccc2[nH]c(CCNC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)nc2c1 ZINC000299779473 403572808 /nfs/dbraw/zinc/57/28/08/403572808.db2.gz VVJINEGOKTUPGE-KGLIPLIRSA-N 1 0 312.417 2.014 50 0 DEAARO CN(Cc1ccon1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299779356 403573186 /nfs/dbraw/zinc/57/31/86/403573186.db2.gz QZPUZJGXBZZOSN-UHFFFAOYSA-N 1 0 301.390 2.437 50 0 DEAARO Cc1ncc2n1CC[C@H](C(=O)NCC(C)(C)C1(O)CCCC1)C2 ZINC000333727954 403834739 /nfs/dbraw/zinc/83/47/39/403834739.db2.gz JJAGHFJPOLBULF-AWEZNQCLSA-N 1 0 319.449 2.201 50 0 DEAARO CN(C)Cc1cnc(C[NH2+]C[C@](C)(CO)c2ccccc2)s1 ZINC000342199242 404438176 /nfs/dbraw/zinc/43/81/76/404438176.db2.gz DTFIZVQFJAAOOF-QGZVFWFLSA-N 1 0 319.474 2.245 50 0 DEAARO [NH3+]Cc1nnc(SC[C@H]2CCCCO2)n1Cc1ccccc1 ZINC000426514541 405366342 /nfs/dbraw/zinc/36/63/42/405366342.db2.gz CTLQNWOKPGDBLG-CQSZACIVSA-N 1 0 318.446 2.446 50 0 DEAARO Fc1cccc(-n2cc(CN3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)cn2)c1 ZINC000426551972 405368362 /nfs/dbraw/zinc/36/83/62/405368362.db2.gz KUSUIXOPFNGBHZ-USTZCAOPSA-N 1 0 312.392 2.194 50 0 DEAARO CC1(C)C[C@H]([NH2+]CC(=O)NCc2ccc(F)cc2)C(C)(C)O1 ZINC000132592351 196269301 /nfs/dbraw/zinc/26/93/01/196269301.db2.gz PWVXQNUVUSEEBB-AWEZNQCLSA-N 1 0 308.397 2.378 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C)C1 ZINC000134167585 196367299 /nfs/dbraw/zinc/36/72/99/196367299.db2.gz UOSFBJYHHKLXIC-CYBMUJFWSA-N 1 0 316.380 2.144 50 0 DEAARO FC(F)COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000239351860 225213881 /nfs/dbraw/zinc/21/38/81/225213881.db2.gz AADFKJCGJNPHOK-KBPBESRZSA-N 1 0 311.376 2.442 50 0 DEAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000240465869 225215031 /nfs/dbraw/zinc/21/50/31/225215031.db2.gz GAZOWKBLCQQIGJ-GDBMZVCRSA-N 1 0 303.450 2.011 50 0 DEAARO COC(CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1)OC ZINC000408525501 227242778 /nfs/dbraw/zinc/24/27/78/227242778.db2.gz KKELADYDAKGDKR-UHFFFAOYSA-N 1 0 315.360 2.257 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000299739408 229371493 /nfs/dbraw/zinc/37/14/93/229371493.db2.gz OCELEVWPEMFPMR-ZDUSSCGKSA-N 1 0 306.381 2.173 50 0 DEAARO C[C@@H](CNC(=S)Nc1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000046110857 424819786 /nfs/dbraw/zinc/81/97/86/424819786.db2.gz WKELHGBPQVVVLZ-LBPRGKRZSA-N 1 0 321.446 2.229 50 0 DEAARO COc1ccccc1[C@H](C)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000046531252 424821496 /nfs/dbraw/zinc/82/14/96/424821496.db2.gz DOBQWKAQZANFBG-LBPRGKRZSA-N 1 0 319.405 2.018 50 0 DEAARO O=C(NCCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044893427 424814280 /nfs/dbraw/zinc/81/42/80/424814280.db2.gz CKHPGCSRDWEZSR-UHFFFAOYSA-N 1 0 316.430 2.217 50 0 DEAARO CC[N@@H+](Cc1csc(-c2ncccn2)n1)C[C@@H]1CCOC1 ZINC000044975926 424815096 /nfs/dbraw/zinc/81/50/96/424815096.db2.gz BAEMBRGISIEGTJ-LBPRGKRZSA-N 1 0 304.419 2.459 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cccc(Cn2cncn2)c1 ZINC000048711326 424834731 /nfs/dbraw/zinc/83/47/31/424834731.db2.gz IIQBBXKTNWQWEJ-UHFFFAOYSA-N 1 0 324.432 2.473 50 0 DEAARO O=C1C[C@H]([NH2+][C@H]2CCCc3occc32)CN1CC(F)(F)F ZINC000193004910 424866133 /nfs/dbraw/zinc/86/61/33/424866133.db2.gz CUBZQQDRPYLGDI-ONGXEEELSA-N 1 0 302.296 2.410 50 0 DEAARO Cc1ccc2nc(C[N@@H+](C)C3CCSCC3)cc(=O)n2c1 ZINC000244601796 424886137 /nfs/dbraw/zinc/88/61/37/424886137.db2.gz DRYUTWAYSHVPSD-UHFFFAOYSA-N 1 0 303.431 2.330 50 0 DEAARO Cc1cc(-c2ccc(C(=O)N[C@H]3CC[C@@H]([NH3+])C3)cc2)cnc1N ZINC000426563179 425001642 /nfs/dbraw/zinc/00/16/42/425001642.db2.gz UCQNRTNMCRCQMB-CVEARBPZSA-N 1 0 310.401 2.249 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000658013786 425427853 /nfs/dbraw/zinc/42/78/53/425427853.db2.gz LYWBNGKSGJXJIH-APIJFGDWSA-N 1 0 314.495 2.215 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000237361774 274240536 /nfs/dbraw/zinc/24/05/36/274240536.db2.gz SEMCPEOVANMSSX-YPMHNXCESA-N 1 0 316.380 2.415 50 0 DEAARO CC(=O)N1CCC(C[NH+]2CCCC2)(c2ccc(C)cn2)CC1 ZINC000067688643 275446885 /nfs/dbraw/zinc/44/68/85/275446885.db2.gz CRBOSUBGJHMLLS-UHFFFAOYSA-N 1 0 301.434 2.366 50 0 DEAARO CC(C)C[NH+]1CCC([C@@H]2CCN(c3ccnc(N)n3)C2)CC1 ZINC000072150669 275570782 /nfs/dbraw/zinc/57/07/82/275570782.db2.gz QDZBWYWAFOQHHT-OAHLLOKOSA-N 1 0 303.454 2.253 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)[nH]c1=O)c1ccco1 ZINC000075124630 276119456 /nfs/dbraw/zinc/11/94/56/276119456.db2.gz DQPKYILWACKBQM-CQSZACIVSA-N 1 0 317.389 2.089 50 0 DEAARO CCOCC[N@@H+]1CCC=C([C@@H]2c3cccn3CCN2C(C)=O)C1 ZINC000065508630 276317821 /nfs/dbraw/zinc/31/78/21/276317821.db2.gz UJIBTANWVYJTHR-GOSISDBHSA-N 1 0 317.433 2.060 50 0 DEAARO CC[C@@H]([NH3+])C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000097019135 276431528 /nfs/dbraw/zinc/43/15/28/276431528.db2.gz NRQIFKIOJBHJCK-RXMQYKEDSA-N 1 0 315.301 2.294 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000237146891 277278282 /nfs/dbraw/zinc/27/82/82/277278282.db2.gz BMMGSUVZMZFBKE-HNNXBMFYSA-N 1 0 318.808 2.350 50 0 DEAARO CS[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@@H]1[NH+](C)C ZINC000340590345 278151472 /nfs/dbraw/zinc/15/14/72/278151472.db2.gz MYJPNHSQSQZBDP-OFQRWUPVSA-N 1 0 320.458 2.057 50 0 DEAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C[NH3+])cc1 ZINC000091526893 278777253 /nfs/dbraw/zinc/77/72/53/278777253.db2.gz ICDSTPNTJLSRQE-HNNXBMFYSA-N 1 0 312.417 2.269 50 0 DEAARO C[C@H](C1CCN(c2cc(N(C)C)ncn2)CC1)[NH+]1CCCC1 ZINC000095383806 279243702 /nfs/dbraw/zinc/24/37/02/279243702.db2.gz PVOQQKRCIPZRON-CQSZACIVSA-N 1 0 303.454 2.243 50 0 DEAARO C[C@H]1CCCN(C(=O)c2occc2Br)[C@@H]1C[NH3+] ZINC000237717693 279666412 /nfs/dbraw/zinc/66/64/12/279666412.db2.gz KQELCXAMJHJQHR-WCBMZHEXSA-N 1 0 301.184 2.242 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)C1CC[NH2+]CC1 ZINC000237160123 289762767 /nfs/dbraw/zinc/76/27/67/289762767.db2.gz JHLZOAFLCYKVGY-UHFFFAOYSA-N 1 0 301.434 2.245 50 0 DEAARO Cc1ccc([C@@H](C(=O)N2CC([NH+]3CCCCC3)C2)N(C)C)cc1 ZINC000091416624 301704881 /nfs/dbraw/zinc/70/48/81/301704881.db2.gz JLLDIVFFQBKGDX-SFHVURJKSA-N 1 0 315.461 2.294 50 0 DEAARO OC[C@@H](C[NH+]1CCCCC1)Nc1ncnc2ccc(F)cc21 ZINC000241693890 304827994 /nfs/dbraw/zinc/82/79/94/304827994.db2.gz QIPQIDRTHIYAQW-CYBMUJFWSA-N 1 0 304.369 2.028 50 0 DEAARO O[C@H]1C[C@H]([C@@H]([NH2+]C2CSCCSC2)c2ccccn2)C1 ZINC000223607003 304842786 /nfs/dbraw/zinc/84/27/86/304842786.db2.gz KOOTWHCJWSHFQG-OSAQELSMSA-N 1 0 310.488 2.332 50 0 DEAARO Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000058305456 331796580 /nfs/dbraw/zinc/79/65/80/331796580.db2.gz NKBYKUYLJKENMA-INIZCTEOSA-N 1 0 314.433 2.378 50 0 DEAARO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cccc2c1OCCO2 ZINC000188939693 333059171 /nfs/dbraw/zinc/05/91/71/333059171.db2.gz HHUWVWHIERDTTI-KRWDZBQOSA-N 1 0 313.397 2.459 50 0 DEAARO CC(C)[C@H](CNC(=O)N1CC(Oc2ccccc2F)C1)[NH+](C)C ZINC000534578179 334288280 /nfs/dbraw/zinc/28/82/80/334288280.db2.gz DCQHPYCMIQKJSL-HNNXBMFYSA-N 1 0 323.412 2.185 50 0 DEAARO Cc1ccccc1[C@H](CNC(=O)CCn1ccnc1)[NH+](C)C ZINC000534582475 334289712 /nfs/dbraw/zinc/28/97/12/334289712.db2.gz SUGBSMJJLMNXRG-INIZCTEOSA-N 1 0 300.406 2.001 50 0 DEAARO C[NH+](C)C1(CNC(=O)CCC(=O)Nc2ccccc2)CCCC1 ZINC000534585967 334292026 /nfs/dbraw/zinc/29/20/26/334292026.db2.gz ZTMZHKLKVGWHTN-UHFFFAOYSA-N 1 0 317.433 2.396 50 0 DEAARO O=C(NCC1(CO)CCCC1)C1([NH+]2CCCC2)CCCCC1 ZINC000534590280 334294045 /nfs/dbraw/zinc/29/40/45/334294045.db2.gz RKQGEVGCQJVMMC-UHFFFAOYSA-N 1 0 308.466 2.454 50 0 DEAARO COc1ccc([C@@H]([NH3+])CC(=O)N2CCC(F)CC2)cc1OC ZINC000534637105 334309574 /nfs/dbraw/zinc/30/95/74/334309574.db2.gz QECUIYUZGNIFSB-ZDUSSCGKSA-N 1 0 310.369 2.054 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000022999748 337350825 /nfs/dbraw/zinc/35/08/25/337350825.db2.gz YALNCCXJRJLIQY-UHFFFAOYSA-N 1 0 318.442 2.460 50 0 DEAARO O=C1NCCN1[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000096419559 337381986 /nfs/dbraw/zinc/38/19/86/337381986.db2.gz FVHRWWYODWACLU-OAHLLOKOSA-N 1 0 309.454 2.215 50 0 DEAARO C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097237432 337382576 /nfs/dbraw/zinc/38/25/76/337382576.db2.gz UAVZMHGNYYLGHI-FZKCQIBNSA-N 1 0 323.481 2.458 50 0 DEAARO C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)[C@H](C)O1 ZINC000294656546 533970694 /nfs/dbraw/zinc/97/06/94/533970694.db2.gz CJFRZFDNKLWGTL-OQUILHJVSA-N 1 0 317.433 2.114 50 0 DEAARO COc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292474094 534110644 /nfs/dbraw/zinc/11/06/44/534110644.db2.gz BCWOBIOJNPDDII-QGZVFWFLSA-N 1 0 319.405 2.263 50 0 DEAARO Fc1cccc(-n2cc(CN3CC[N@@H+]4CCC[C@H]4C3)cn2)c1 ZINC000244718840 534514102 /nfs/dbraw/zinc/51/41/02/534514102.db2.gz LRUZEMXKOJCNOZ-KRWDZBQOSA-N 1 0 300.381 2.291 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 ZINC000299739930 534692315 /nfs/dbraw/zinc/69/23/15/534692315.db2.gz TUYAJIPFVYFSEX-SNVBAGLBSA-N 1 0 305.765 2.416 50 0 DEAARO Cc1noc(C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)n1 ZINC000339168101 526621389 /nfs/dbraw/zinc/62/13/89/526621389.db2.gz RGGSXODXWSGONC-SECBINFHSA-N 1 0 306.332 2.130 50 0 DEAARO C[N@@H+]1CCC[C@@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C1 ZINC000169965666 563901771 /nfs/dbraw/zinc/90/17/71/563901771.db2.gz WAJSUPHLKKOMGC-GFCCVEGCSA-N 1 0 317.418 2.421 50 0 DEAARO CC1CC[NH+](C[C@@H](O)CN2CCc3ccc(F)cc3C2)CC1 ZINC000135139782 622896758 /nfs/dbraw/zinc/89/67/58/622896758.db2.gz KFGBLJLFOKQBDW-GOSISDBHSA-N 1 0 306.425 2.277 50 0 DEAARO CCc1cc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncn1 ZINC000952994867 635227757 /nfs/dbraw/zinc/22/77/57/635227757.db2.gz VSTLYZNKHCRYAY-HOCLYGCPSA-N 1 0 304.438 2.342 50 0 DEAARO O=C(/C=C/c1c(F)cccc1F)NCC[C@H]1CSCC[NH2+]1 ZINC000888096280 635529877 /nfs/dbraw/zinc/52/98/77/635529877.db2.gz ROFQEHJUZWZODY-ZWNMCFTASA-N 1 0 312.385 2.189 50 0 DEAARO CO[C@H](C)c1c(-c2ccccc2)ncn1C[C@@]1(O)CC[N@H+](C)C1 ZINC000888097448 635541243 /nfs/dbraw/zinc/54/12/43/635541243.db2.gz JAKCXIMUWFOSKC-RDTXWAMCSA-N 1 0 315.417 2.324 50 0 DEAARO C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1C[N@H+](C)CCN1C ZINC000888099658 635548756 /nfs/dbraw/zinc/54/87/56/635548756.db2.gz IJJWPFDENKCGHD-LVQVYYBASA-N 1 0 309.498 2.199 50 0 DEAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCCCC1 ZINC000011879172 635871026 /nfs/dbraw/zinc/87/10/26/635871026.db2.gz PEYQMRMXVDXIEY-GOSISDBHSA-N 1 0 308.466 2.406 50 0 DEAARO Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC(C)(C)C)C3=O)cn1 ZINC000012753042 636263410 /nfs/dbraw/zinc/26/34/10/636263410.db2.gz OIKHUYDVDOZDAP-GOSISDBHSA-N 1 0 318.465 2.281 50 0 DEAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012439097 636632833 /nfs/dbraw/zinc/63/28/33/636632833.db2.gz LWNSKBIQCGLRQB-SFHVURJKSA-N 1 0 320.408 2.287 50 0 DEAARO Cc1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)[nH]n1 ZINC000012445310 636636184 /nfs/dbraw/zinc/63/61/84/636636184.db2.gz HCDBKBWXMYGWBY-ZDUSSCGKSA-N 1 0 318.446 2.422 50 0 DEAARO c1cc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc2c1OCC2 ZINC000874434921 648090512 /nfs/dbraw/zinc/09/05/12/648090512.db2.gz HLKLAQBFVXTLNU-UKRRQHHQSA-N 1 0 313.357 2.207 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000040463624 683888655 /nfs/dbraw/zinc/88/86/55/683888655.db2.gz JGJQFCJJZJRVPG-JTQLQIEISA-N 1 0 301.843 2.425 50 0 DEAARO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCCN3C=O)n2)cc1 ZINC000863950491 686599540 /nfs/dbraw/zinc/59/95/40/686599540.db2.gz XCJWQOLCZRLBMF-AWEZNQCLSA-N 1 0 300.362 2.092 50 0 DEAARO Cn1cc([C@H](O)C[NH2+]C2CC(Sc3ccccc3)C2)cn1 ZINC000863983169 686602367 /nfs/dbraw/zinc/60/23/67/686602367.db2.gz DLFJARLQBZDPSA-AVVWSFFYSA-N 1 0 303.431 2.366 50 0 DEAARO c1cn(Cc2noc([C@@H]3CCCN3Cc3ccccc3)n2)nn1 ZINC000585120360 790316309 /nfs/dbraw/zinc/31/63/09/790316309.db2.gz JONODQPPMIDPQR-AWEZNQCLSA-N 1 0 310.361 2.047 50 0 DEAARO O=C(c1cccc(Cl)c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000585130112 790325943 /nfs/dbraw/zinc/32/59/43/790325943.db2.gz IEFHDJFCEBAHOA-UHFFFAOYSA-N 1 0 322.836 2.307 50 0 DEAARO Cc1noc(C)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)[nH]c(=O)c1C2 ZINC000675011192 778331349 /nfs/dbraw/zinc/33/13/49/778331349.db2.gz QBSKDKUWMUGNBJ-OLZOCXBDSA-N 1 0 314.389 2.227 50 0 DEAARO COc1ccc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)on2)cc1 ZINC000585138725 778830578 /nfs/dbraw/zinc/83/05/78/778830578.db2.gz MWAKKNWFNQOWHN-ZDUSSCGKSA-N 1 0 315.373 2.126 50 0 DEAARO Cc1ccc(OCC(=O)NCCNc2cc[nH+]cc2C)cc1C ZINC000827841398 783693653 /nfs/dbraw/zinc/69/36/53/783693653.db2.gz XKHOYXUPPJLAOU-UHFFFAOYSA-N 1 0 313.401 2.036 50 0 DEAARO O=C(C[NH+]1CCCCCC1)N1CCN[C@H](c2ccccc2)C1 ZINC000827957775 783707898 /nfs/dbraw/zinc/70/78/98/783707898.db2.gz AABHVKUNFVMQQK-KRWDZBQOSA-N 1 0 301.434 2.036 50 0 DEAARO O=C(NCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)c1ccon1 ZINC000828228764 783773930 /nfs/dbraw/zinc/77/39/30/783773930.db2.gz LUFZNYOVUSRRKV-OAHLLOKOSA-N 1 0 303.406 2.473 50 0 DEAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccc([C@H]4CCCO4)s3)C[C@H]2C[C@@H]1O ZINC000828873659 783866275 /nfs/dbraw/zinc/86/62/75/783866275.db2.gz LBNMAOAMOBGESO-XVLPMQGWSA-N 1 0 323.458 2.163 50 0 DEAARO Cc1nc([C@@H]2C[C@@H](O)C[NH2+]2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000828901689 783875065 /nfs/dbraw/zinc/87/50/65/783875065.db2.gz STMBMNGSJGGYSP-KOLCDFICSA-N 1 0 313.188 2.278 50 0 DEAARO Cc1cnc(N2CCC(Oc3cccnc3)CC2)nc1N(C)C ZINC000065385152 784602970 /nfs/dbraw/zinc/60/29/70/784602970.db2.gz JYHNOVIKGQHCRL-UHFFFAOYSA-N 1 0 313.405 2.294 50 0 DEAARO O=C(c1ccncc1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000581776374 784774169 /nfs/dbraw/zinc/77/41/69/784774169.db2.gz QYLYUSBIPPIVFJ-UHFFFAOYSA-N 1 0 322.412 2.213 50 0 DEAARO O=c1ccncn1CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000585637078 791835275 /nfs/dbraw/zinc/83/52/75/791835275.db2.gz DJACJBHEMJPNBU-UHFFFAOYSA-N 1 0 319.355 2.434 50 0 DEAARO CCc1cc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)ncn1 ZINC000952854496 792779891 /nfs/dbraw/zinc/77/98/91/792779891.db2.gz LYIIWAHZICRUPW-JKSUJKDBSA-N 1 0 307.463 2.178 50 0 DEAARO Cc1cc(C)cc(C(=O)N[C@H]2CCOC[C@H]2[NH+]2CCCC2)c1 ZINC000952876879 792791613 /nfs/dbraw/zinc/79/16/13/792791613.db2.gz HFEQLENTYFEHRF-DLBZAZTESA-N 1 0 302.418 2.287 50 0 DEAARO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000952877655 792793284 /nfs/dbraw/zinc/79/32/84/792793284.db2.gz SVNADZVMADWJTO-PVXIVEMSSA-N 1 0 322.380 2.342 50 0 DEAARO CCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1cccc(C)c1 ZINC000952973810 792835018 /nfs/dbraw/zinc/83/50/18/792835018.db2.gz JXOHCGINXGPWSJ-UHFFFAOYSA-N 1 0 310.463 2.243 50 0 DEAARO COc1ccc(/C=C/C[NH2+]CCN2CCCC[C@@H]2CO)cc1 ZINC000952978748 792843542 /nfs/dbraw/zinc/84/35/42/792843542.db2.gz STSDKIXTCRDKHE-LAQIPUCWSA-N 1 0 304.434 2.145 50 0 DEAARO C=CS(=O)(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000667988064 794095328 /nfs/dbraw/zinc/09/53/28/794095328.db2.gz TWBMHQDCNISWIZ-AWEZNQCLSA-N 1 0 322.430 2.038 50 0 DEAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237768554 797040461 /nfs/dbraw/zinc/04/04/61/797040461.db2.gz WQKHOGOICTWKJU-LLVKDONJSA-N 1 0 322.771 2.146 50 0 DEAARO CCc1ccccc1C(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001529112885 1070864559 /nfs/dbraw/zinc/86/45/59/1070864559.db2.gz UQBGEWIOQWUTNI-UHFFFAOYSA-N 1 0 304.419 2.457 50 0 DEAARO C[NH+](C)CCc1nnc(NC(=O)Cc2cccc(Cl)c2)s1 ZINC001529127075 1070870043 /nfs/dbraw/zinc/87/00/43/1070870043.db2.gz ZXQFQVANJODTIT-UHFFFAOYSA-N 1 0 324.837 2.477 50 0 DEAARO Cc1ccn(CC[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001529167673 1070895942 /nfs/dbraw/zinc/89/59/42/1070895942.db2.gz LNALTXZNUNIWCT-LJQANCHMSA-N 1 0 324.428 2.202 50 0 DEAARO Cc1noc(-c2ccnc(NCCNc3cc[nH+]cc3C)c2)n1 ZINC001529172450 1070901002 /nfs/dbraw/zinc/90/10/02/1070901002.db2.gz HWNVHSRKKKKHJZ-UHFFFAOYSA-N 1 0 310.361 2.089 50 0 DEAARO O=C1CC[C@H]([NH2+]Cc2ccc3nonc3c2)CCN1CC1CC1 ZINC001506397474 1061935546 /nfs/dbraw/zinc/93/55/46/1061935546.db2.gz VHGRUCQVILXVRW-AWEZNQCLSA-N 1 0 314.389 2.104 50 0 DEAARO O=C1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)CCN1CC1CC1 ZINC001506397476 1061937099 /nfs/dbraw/zinc/93/70/99/1061937099.db2.gz VHGRUCQVILXVRW-CQSZACIVSA-N 1 0 314.389 2.104 50 0 DEAARO C[C@@H](CN(C)CCO)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001506398911 1061939253 /nfs/dbraw/zinc/93/92/53/1061939253.db2.gz HMERHVCEASCUEN-JTQLQIEISA-N 1 0 308.319 2.247 50 0 DEAARO CC[NH+]1CCC(CC(=O)NCCCn2cc(Cl)cn2)CC1 ZINC000095529259 185378554 /nfs/dbraw/zinc/37/85/54/185378554.db2.gz CGVMKADZALWMBM-UHFFFAOYSA-N 1 0 312.845 2.165 50 0 DEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000095528640 185378597 /nfs/dbraw/zinc/37/85/97/185378597.db2.gz GQEOHGCTVBHLPM-HNNXBMFYSA-N 1 0 302.374 2.249 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000095531050 185378749 /nfs/dbraw/zinc/37/87/49/185378749.db2.gz CQOIZATYSKNVJR-QGZVFWFLSA-N 1 0 322.424 2.486 50 0 DEAARO Cc1cc(C)n(C2CN(C(=O)NCC[NH+](C(C)C)C(C)C)C2)n1 ZINC000426370524 230791503 /nfs/dbraw/zinc/79/15/03/230791503.db2.gz MWPVCZHMRBMKRK-UHFFFAOYSA-N 1 0 321.469 2.185 50 0 DEAARO Cn1cc(/C=C\C(=O)NCc2ccccc2C[NH+]2CCCC2)cn1 ZINC000096793917 185388384 /nfs/dbraw/zinc/38/83/84/185388384.db2.gz LWXIPAIESFJHHU-HJWRWDBZSA-N 1 0 324.428 2.346 50 0 DEAARO O=C(CC[N@H+]1CCC[C@@H]1CO)Nc1cccc(C(F)(F)F)c1 ZINC000083169452 185215567 /nfs/dbraw/zinc/21/55/67/185215567.db2.gz KGLZZIJALGVAEQ-CYBMUJFWSA-N 1 0 316.323 2.491 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)CC2 ZINC000090179689 185285542 /nfs/dbraw/zinc/28/55/42/185285542.db2.gz LONBVDVPTRYJLS-ZDUSSCGKSA-N 1 0 300.358 2.034 50 0 DEAARO O=C(C[C@@H]1CCc2ccccc21)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120524 192358371 /nfs/dbraw/zinc/35/83/71/192358371.db2.gz GFUZEFVICKJHBY-HNNXBMFYSA-N 1 0 324.428 2.113 50 0 DEAARO O=C1NCCCc2nc([C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000095390406 185351662 /nfs/dbraw/zinc/35/16/62/185351662.db2.gz QCMFCSYDHJBMSM-CQSZACIVSA-N 1 0 310.401 2.075 50 0 DEAARO CCNC(=O)c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000095395766 185352741 /nfs/dbraw/zinc/35/27/41/185352741.db2.gz ZZMCLMFMMHMUAE-INIZCTEOSA-N 1 0 316.449 2.286 50 0 DEAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCC[NH+]1CCOCC1 ZINC000095411126 185357552 /nfs/dbraw/zinc/35/75/52/185357552.db2.gz KDMLLBSJAVCLIS-IKGGRYGDSA-N 1 0 323.481 2.461 50 0 DEAARO C[N@@H+]1CCCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC000095419181 185359779 /nfs/dbraw/zinc/35/97/79/185359779.db2.gz WUQFMJHTALBJOC-UHFFFAOYSA-N 1 0 315.442 2.491 50 0 DEAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1Cl ZINC000095421359 185360402 /nfs/dbraw/zinc/36/04/02/185360402.db2.gz LFBMXAPLTSYGOI-BXUZGUMPSA-N 1 0 323.824 2.234 50 0 DEAARO O=C(CCCc1cccs1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000095428339 185362479 /nfs/dbraw/zinc/36/24/79/185362479.db2.gz KKUWVRZTUWKEMI-OAHLLOKOSA-N 1 0 324.490 2.424 50 0 DEAARO C[C@H]([NH2+]CC1(O)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000095422361 185360996 /nfs/dbraw/zinc/36/09/96/185360996.db2.gz DLFZQANKOPRKOD-WMZOPIPTSA-N 1 0 318.461 2.171 50 0 DEAARO CC1(C)C[C@H]([NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 ZINC000095423852 185361013 /nfs/dbraw/zinc/36/10/13/185361013.db2.gz KXTBXTRRVFOWIW-GJZGRUSLSA-N 1 0 317.433 2.232 50 0 DEAARO CCc1nncn1CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000095423454 185361244 /nfs/dbraw/zinc/36/12/44/185361244.db2.gz LGPWPRIPUWTALA-CQSZACIVSA-N 1 0 315.421 2.156 50 0 DEAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299753219 529982455 /nfs/dbraw/zinc/98/24/55/529982455.db2.gz XHTAUYDUKOJPSX-QZTJIDSGSA-N 1 0 310.397 2.035 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000255263524 282624936 /nfs/dbraw/zinc/62/49/36/282624936.db2.gz GWICUYWGBLPYCG-HWYHOQROSA-N 1 0 323.396 2.233 50 0 DEAARO CC[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cnn(C)c1 ZINC000219389311 539727434 /nfs/dbraw/zinc/72/74/34/539727434.db2.gz MAVVVZSSVUDZJD-HNNXBMFYSA-N 1 0 304.438 2.396 50 0 DEAARO CC(C)[C@H]1CN(C(=O)c2cccnn2)CCC[N@@H+]1CC1CC1 ZINC000071711913 191011591 /nfs/dbraw/zinc/01/15/91/191011591.db2.gz YLSYABADCDYXGJ-MRXNPFEDSA-N 1 0 302.422 2.059 50 0 DEAARO CNS(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1 ZINC000071747667 191020300 /nfs/dbraw/zinc/02/03/00/191020300.db2.gz BOQXFHIDFVLDSU-MDBPOYHNSA-N 1 0 320.458 2.073 50 0 DEAARO Cc1ccnn1CC[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071767978 191029580 /nfs/dbraw/zinc/02/95/80/191029580.db2.gz SKLMEQQYNOWHQQ-QGZVFWFLSA-N 1 0 318.465 2.160 50 0 DEAARO O=C(C[C@@H]1COCC[NH2+]1)NCCc1ccc(Cl)cc1Cl ZINC000072119509 191039567 /nfs/dbraw/zinc/03/95/67/191039567.db2.gz NRWKVZJZPAMLLY-GFCCVEGCSA-N 1 0 317.216 2.031 50 0 DEAARO CN(CCc1ccccn1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000072135479 191046828 /nfs/dbraw/zinc/04/68/28/191046828.db2.gz UWJLQVDLNHEXKJ-UHFFFAOYSA-N 1 0 323.440 2.182 50 0 DEAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000072149987 191056419 /nfs/dbraw/zinc/05/64/19/191056419.db2.gz AGAHHINEARWRAQ-CQSZACIVSA-N 1 0 305.422 2.390 50 0 DEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000152578406 186086987 /nfs/dbraw/zinc/08/69/87/186086987.db2.gz VBRNTYHTTFDCGZ-AWEZNQCLSA-N 1 0 311.470 2.053 50 0 DEAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 ZINC000096193051 282711074 /nfs/dbraw/zinc/71/10/74/282711074.db2.gz XIZBGYIJSGUFTQ-UHFFFAOYSA-N 1 0 315.417 2.130 50 0 DEAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072419893 191157104 /nfs/dbraw/zinc/15/71/04/191157104.db2.gz LKPIAYQAMFUPGQ-INIZCTEOSA-N 1 0 317.481 2.390 50 0 DEAARO FC(F)(F)[C@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccccn1 ZINC000072431435 191163644 /nfs/dbraw/zinc/16/36/44/191163644.db2.gz SUCVEISXSVCFNB-CYBMUJFWSA-N 1 0 323.322 2.275 50 0 DEAARO CCn1ccc2ccc(CN3CC[C@@](O)(C[NH+](C)C)C3)cc21 ZINC000072463579 191173709 /nfs/dbraw/zinc/17/37/09/191173709.db2.gz LWDNEDAGHHKPQX-GOSISDBHSA-N 1 0 301.434 2.160 50 0 DEAARO c1cn([C@H]2COc3ccccc3C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072478630 191179017 /nfs/dbraw/zinc/17/90/17/191179017.db2.gz PAHHMQKNPWYQHZ-OAHLLOKOSA-N 1 0 321.384 2.026 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000055562691 282905463 /nfs/dbraw/zinc/90/54/63/282905463.db2.gz ZWLQNZHLZYEOED-UHFFFAOYSA-N 1 0 317.340 2.111 50 0 DEAARO O[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000004389301 181105789 /nfs/dbraw/zinc/10/57/89/181105789.db2.gz HZFYFSXQPFAKQP-AWEZNQCLSA-N 1 0 302.340 2.164 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000004487267 181113768 /nfs/dbraw/zinc/11/37/68/181113768.db2.gz NAEISPDBNQMCTO-INIZCTEOSA-N 1 0 321.417 2.369 50 0 DEAARO CC(=O)c1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000069876880 354879696 /nfs/dbraw/zinc/87/96/96/354879696.db2.gz JEQPKMQSSWALMM-MRXNPFEDSA-N 1 0 301.390 2.495 50 0 DEAARO COc1cc(Br)c(C[NH2+]C(C)(C)CO)cc1OC ZINC000004857041 181163804 /nfs/dbraw/zinc/16/38/04/181163804.db2.gz AHLTXMCDSQIEJT-UHFFFAOYSA-N 1 0 318.211 2.327 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cccn1C ZINC000076042797 355120684 /nfs/dbraw/zinc/12/06/84/355120684.db2.gz YHSJBVZLBGMOIB-YOEHRIQHSA-N 1 0 302.422 2.243 50 0 DEAARO C[NH+](C)C1(CNC(=O)N2CCOc3ccccc3C2)CCCC1 ZINC000079570908 355317140 /nfs/dbraw/zinc/31/71/40/355317140.db2.gz WXBXJVSRXJKTBA-UHFFFAOYSA-N 1 0 317.433 2.465 50 0 DEAARO C[N@H+](CCN1CCOC2(CCOCC2)C1)Cc1ccc(F)cc1 ZINC000097099743 355702224 /nfs/dbraw/zinc/70/22/24/355702224.db2.gz PFEKFAODOPBSSI-UHFFFAOYSA-N 1 0 322.424 2.139 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000005210331 181217294 /nfs/dbraw/zinc/21/72/94/181217294.db2.gz WHISCSWJOZTWJH-ZDUSSCGKSA-N 1 0 300.406 2.096 50 0 DEAARO COCCn1cc(NC(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000005266359 181224065 /nfs/dbraw/zinc/22/40/65/181224065.db2.gz HNJBZCWJZPCDOT-UHFFFAOYSA-N 1 0 318.421 2.361 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)Cc2ccsc2)CC1 ZINC000169751763 355981334 /nfs/dbraw/zinc/98/13/34/355981334.db2.gz HIOCVZBLOGGXRD-HNNXBMFYSA-N 1 0 322.474 2.250 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccccc1OC ZINC000170129125 355985971 /nfs/dbraw/zinc/98/59/71/355985971.db2.gz FGUXCCHSRLYAKX-OAHLLOKOSA-N 1 0 320.433 2.455 50 0 DEAARO C[C@H]1COCCN1CCSc1n[nH]c(Cc2cccs2)n1 ZINC000170605573 355988779 /nfs/dbraw/zinc/98/87/79/355988779.db2.gz IRNRDWDSTQGXJQ-NSHDSACASA-N 1 0 324.475 2.270 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cn1 ZINC000195553608 356256306 /nfs/dbraw/zinc/25/63/06/356256306.db2.gz ZPNXABFKWVOQJZ-OALUTQOASA-N 1 0 322.412 2.402 50 0 DEAARO COc1ccc(F)cc1[C@@H](C)NC(=O)COC[C@@H]1CCC[NH2+]C1 ZINC000195549491 356256384 /nfs/dbraw/zinc/25/63/84/356256384.db2.gz JWXNNJOSHKTTDF-CHWSQXEVSA-N 1 0 324.396 2.028 50 0 DEAARO Cc1cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)sc1C ZINC000195555328 356257084 /nfs/dbraw/zinc/25/70/84/356257084.db2.gz QVKSGVYPEUQEOG-UHFFFAOYSA-N 1 0 302.465 2.255 50 0 DEAARO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000195570303 356257841 /nfs/dbraw/zinc/25/78/41/356257841.db2.gz QCKFDPOZDSNOCH-CVEARBPZSA-N 1 0 300.406 2.433 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)[C@H]2CCCO[C@@H]21 ZINC000221341023 356274536 /nfs/dbraw/zinc/27/45/36/356274536.db2.gz NBXUJPPVBRTLII-SVGFKBNWSA-N 1 0 323.408 2.359 50 0 DEAARO COCCN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cn1 ZINC000248809621 356325220 /nfs/dbraw/zinc/32/52/20/356325220.db2.gz CIUOTKMFCOEOGG-IRXDYDNUSA-N 1 0 319.449 2.165 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000418016115 283189183 /nfs/dbraw/zinc/18/91/83/283189183.db2.gz WKGLUBBJTOEFGQ-ZIAGYGMSSA-N 1 0 311.447 2.314 50 0 DEAARO COCC(=O)NC[C@@H]1C[N@H+](Cc2ccc[nH]2)CC12CCCCC2 ZINC000409420381 356736067 /nfs/dbraw/zinc/73/60/67/356736067.db2.gz KRYKSITVKBLAPF-OAHLLOKOSA-N 1 0 319.449 2.160 50 0 DEAARO CC[C@]1(O)CCOC2(CC[NH+](Cc3cc(C)nn3C)CC2)C1 ZINC000409419917 356736130 /nfs/dbraw/zinc/73/61/30/356736130.db2.gz QJSPYVVGSFQEQZ-INIZCTEOSA-N 1 0 307.438 2.015 50 0 DEAARO COc1cccc(OC)c1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000585093581 540256697 /nfs/dbraw/zinc/25/66/97/540256697.db2.gz DMDYFVIRJGVROR-OAHLLOKOSA-N 1 0 320.433 2.047 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2cc(OC)cc(OC)c2)C1 ZINC000237193893 202183842 /nfs/dbraw/zinc/18/38/42/202183842.db2.gz 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CC(C)NS(=O)(=O)CC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000670419532 540932171 /nfs/dbraw/zinc/93/21/71/540932171.db2.gz LKVZGFRFQWOFAB-UHFFFAOYSA-N 1 0 314.495 2.120 50 0 DEAARO Cc1ccc([C@@H](Cn2cnc3cnccc3c2=O)[NH+](C)C)cc1 ZINC000670441969 540934042 /nfs/dbraw/zinc/93/40/42/540934042.db2.gz QRAYSNWIGQSHFX-QGZVFWFLSA-N 1 0 308.385 2.403 50 0 DEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670452058 540935867 /nfs/dbraw/zinc/93/58/67/540935867.db2.gz IVDFUNHHUUYGQJ-GFCCVEGCSA-N 1 0 314.788 2.056 50 0 DEAARO CC/C=C(/C[N@@H+]1CCN(C(C)=O)C[C@@H](O)C1)c1ccccc1 ZINC000670468363 540938107 /nfs/dbraw/zinc/93/81/07/540938107.db2.gz GAKNASYLDYQITD-PNWYBZRESA-N 1 0 302.418 2.005 50 0 DEAARO COCCn1c(COc2ccc(C)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244874855 202504688 /nfs/dbraw/zinc/50/46/88/202504688.db2.gz XIIYWDCLSOJDOT-HDJSIYSDSA-N 1 0 316.405 2.017 50 0 DEAARO CCn1c(C)cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c1C ZINC000006533186 181350546 /nfs/dbraw/zinc/35/05/46/181350546.db2.gz 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COCC[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2C)OCO3)C1 ZINC000091907324 193124910 /nfs/dbraw/zinc/12/49/10/193124910.db2.gz XOZWAUNSPKJWEC-SFHVURJKSA-N 1 0 321.417 2.335 50 0 DEAARO CCCn1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c(C)n1 ZINC000091914973 193125960 /nfs/dbraw/zinc/12/59/60/193125960.db2.gz QMWHIUXONJERCE-SJORKVTESA-N 1 0 312.417 2.168 50 0 DEAARO C[C@@H]([NH2+]C1CCC(O)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000089598524 296114296 /nfs/dbraw/zinc/11/42/96/296114296.db2.gz OCLXIWYYVLSODH-JYPHPWERSA-N 1 0 318.461 2.342 50 0 DEAARO O=C(CC[NH+]1CC(c2ccccn2)C1)NCc1ccccc1F ZINC000252501093 202855719 /nfs/dbraw/zinc/85/57/19/202855719.db2.gz UCKMWROTOANLLO-UHFFFAOYSA-N 1 0 313.376 2.326 50 0 DEAARO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(C)C)C1 ZINC000093360874 193238642 /nfs/dbraw/zinc/23/86/42/193238642.db2.gz OEKYUMMEVUFCOS-HNNXBMFYSA-N 1 0 320.433 2.440 50 0 DEAARO [NH3+]CCCOC1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000094070738 193343483 /nfs/dbraw/zinc/34/34/83/193343483.db2.gz 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ZINC000023709572 182366875 /nfs/dbraw/zinc/36/68/75/182366875.db2.gz RJZHHRNFYKGDKQ-JKSUJKDBSA-N 1 0 301.386 2.036 50 0 DEAARO COc1ccc(NC(=O)NCC2CC[NH+](C)CC2)c(OC)c1 ZINC000038573012 183002952 /nfs/dbraw/zinc/00/29/52/183002952.db2.gz JWQYBVUJYNUQEE-UHFFFAOYSA-N 1 0 307.394 2.167 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(c(Cl)c1)OCO2 ZINC000040108183 183036447 /nfs/dbraw/zinc/03/64/47/183036447.db2.gz YNEDEAOQHSHDCB-QWHCGFSZSA-N 1 0 322.792 2.425 50 0 DEAARO CCOC(=O)CN(C(=O)C[NH2+]C(C)(C)CC)c1ccccc1 ZINC000040119093 183037905 /nfs/dbraw/zinc/03/79/05/183037905.db2.gz BDICXQZOTDDYHT-UHFFFAOYSA-N 1 0 306.406 2.361 50 0 DEAARO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000043165950 183343167 /nfs/dbraw/zinc/34/31/67/183343167.db2.gz LUCNACHTCUZKTM-OAHLLOKOSA-N 1 0 303.406 2.295 50 0 DEAARO COc1cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)ccc1F ZINC000104353101 194001504 /nfs/dbraw/zinc/00/15/04/194001504.db2.gz IZIVNMJRFWDIRD-MRXNPFEDSA-N 1 0 324.440 2.359 50 0 DEAARO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(NC(=O)C(C)(C)C)s1 ZINC000055242702 183973202 /nfs/dbraw/zinc/97/32/02/183973202.db2.gz ORKQYPHNEFOKPQ-JTQLQIEISA-N 1 0 309.435 2.214 50 0 DEAARO CCC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000057554473 184042065 /nfs/dbraw/zinc/04/20/65/184042065.db2.gz ZNNPBNUZXQTJSS-CQSZACIVSA-N 1 0 301.390 2.002 50 0 DEAARO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn2cccnc12 ZINC000058202960 184087609 /nfs/dbraw/zinc/08/76/09/184087609.db2.gz DHEMHLPPVKNZTK-UHFFFAOYSA-N 1 0 315.421 2.066 50 0 DEAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058226025 184090783 /nfs/dbraw/zinc/09/07/83/184090783.db2.gz FASJUEKIHKSBFE-INIZCTEOSA-N 1 0 315.417 2.337 50 0 DEAARO COCC[N@H+](C)C[C@H]1CCCN1C(=O)NCc1ccccc1F ZINC000058344258 184107294 /nfs/dbraw/zinc/10/72/94/184107294.db2.gz XOHWKOIIWUCNOW-OAHLLOKOSA-N 1 0 323.412 2.078 50 0 DEAARO COCCCC(=O)NC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000058357340 184108437 /nfs/dbraw/zinc/10/84/37/184108437.db2.gz ZJWJKLGLLJISPJ-UHFFFAOYSA-N 1 0 320.433 2.202 50 0 DEAARO COCc1ccc(C[NH2+]Cc2c(C)nn(C)c2N(C)C)cc1 ZINC000058394061 184112457 /nfs/dbraw/zinc/11/24/57/184112457.db2.gz ITCFSMAPMAQFRJ-UHFFFAOYSA-N 1 0 302.422 2.231 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269101871 207241427 /nfs/dbraw/zinc/24/14/27/207241427.db2.gz DFAYWBMITYTYQI-ABAIWWIYSA-N 1 0 308.809 2.102 50 0 DEAARO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000063770040 184287778 /nfs/dbraw/zinc/28/77/78/184287778.db2.gz HYHZGIKTYFSFAI-GFCCVEGCSA-N 1 0 317.433 2.304 50 0 DEAARO Cc1nc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000065413009 184341028 /nfs/dbraw/zinc/34/10/28/184341028.db2.gz YPPXSZJFZPDWQB-CQSZACIVSA-N 1 0 308.451 2.221 50 0 DEAARO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC000065449113 184345825 /nfs/dbraw/zinc/34/58/25/184345825.db2.gz BCYMJGFZXNAGIY-MRXNPFEDSA-N 1 0 324.428 2.423 50 0 DEAARO CCn1nc(C(C)C)cc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000065396382 184335264 /nfs/dbraw/zinc/33/52/64/184335264.db2.gz CKKJOZZWXLUESJ-CQSZACIVSA-N 1 0 306.454 2.488 50 0 DEAARO CCOC(=O)c1csc(CC[NH2+]C2CCSCC2)n1 ZINC000065406740 184338388 /nfs/dbraw/zinc/33/83/88/184338388.db2.gz QYNJNFBQDHKEMP-UHFFFAOYSA-N 1 0 300.449 2.348 50 0 DEAARO O=C(NCCNc1cc[nH+]cc1)c1cnc(-c2ccccc2)nc1 ZINC000065406085 184338590 /nfs/dbraw/zinc/33/85/90/184338590.db2.gz BVFCRLQYRNGWIR-UHFFFAOYSA-N 1 0 319.368 2.381 50 0 DEAARO CC(C)OCCCNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000065591399 184369826 /nfs/dbraw/zinc/36/98/26/184369826.db2.gz XDWGRFHHTQCWFZ-GOSISDBHSA-N 1 0 304.434 2.321 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)[NH+](C)C)cc1 ZINC000065608788 184372594 /nfs/dbraw/zinc/37/25/94/184372594.db2.gz NFNJHZZQRRNANC-QGZVFWFLSA-N 1 0 312.417 2.492 50 0 DEAARO CC(C)[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC(=O)N1 ZINC000065501130 184355583 /nfs/dbraw/zinc/35/55/83/184355583.db2.gz CAAJVYPODOBJEW-INIZCTEOSA-N 1 0 312.417 2.361 50 0 DEAARO C[C@@H](c1cccc(Br)c1)N1CC[NH+](CCO)CC1 ZINC000119753559 195030088 /nfs/dbraw/zinc/03/00/88/195030088.db2.gz UNMNNTDLINLMFP-LBPRGKRZSA-N 1 0 313.239 2.120 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158547284 197282817 /nfs/dbraw/zinc/28/28/17/197282817.db2.gz LJUSDCHREUTCCS-LLVKDONJSA-N 1 0 302.296 2.077 50 0 DEAARO OC[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000157432465 197186952 /nfs/dbraw/zinc/18/69/52/197186952.db2.gz UHRPIHLCGKFQPH-HOTGVXAUSA-N 1 0 324.424 2.470 50 0 DEAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H](C)[NH3+])cc1OC ZINC000157319777 197178997 /nfs/dbraw/zinc/17/89/97/197178997.db2.gz NPDKPFAYDSKCMY-HIFRSBDPSA-N 1 0 320.433 2.365 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)[C@H]1C[NH3+] ZINC000156795281 197141483 /nfs/dbraw/zinc/14/14/83/197141483.db2.gz KVVXEVKFEIJFET-CVYKPKQLSA-N 1 0 300.402 2.221 50 0 DEAARO COc1cc(C)c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000156461699 197115113 /nfs/dbraw/zinc/11/51/13/197115113.db2.gz FTAAUVOYBZITBQ-OLZOCXBDSA-N 1 0 306.406 2.212 50 0 DEAARO Cn1cnc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000225791024 256597481 /nfs/dbraw/zinc/59/74/81/256597481.db2.gz LJWNXOXZLOUAPW-CYBMUJFWSA-N 1 0 306.797 2.106 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)CC[NH2+]1 ZINC000237560098 257238714 /nfs/dbraw/zinc/23/87/14/257238714.db2.gz WTLAMROXXKCUSM-AWEZNQCLSA-N 1 0 311.385 2.095 50 0 DEAARO O=C(Cc1ccc(Cl)cc1Br)N1CC[NH2+]CC1 ZINC000237732320 257238908 /nfs/dbraw/zinc/23/89/08/257238908.db2.gz WQJNXMMBTSDZEN-UHFFFAOYSA-N 1 0 317.614 2.077 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCOc1ccc(F)cc1F ZINC000237382930 257239672 /nfs/dbraw/zinc/23/96/72/257239672.db2.gz PPQWMLOEYJEYMT-DGCLKSJQSA-N 1 0 312.360 2.462 50 0 DEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000014102426 257268535 /nfs/dbraw/zinc/26/85/35/257268535.db2.gz BCBLQACNGHKBIB-UHFFFAOYSA-N 1 0 314.838 2.245 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122420749 195447634 /nfs/dbraw/zinc/44/76/34/195447634.db2.gz FTJPOGVQSXXISI-SECBINFHSA-N 1 0 315.186 2.412 50 0 DEAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000124953929 195697703 /nfs/dbraw/zinc/69/77/03/195697703.db2.gz ZCNFNEDIKOASCF-FVQBIDKESA-N 1 0 302.418 2.105 50 0 DEAARO COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000299739831 533528919 /nfs/dbraw/zinc/52/89/19/533528919.db2.gz RTDKYUIJNIHSFE-JJRVBVJISA-N 1 0 320.433 2.186 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([NH2+]CCn3cccn3)[C@@H]21 ZINC000685940533 542768747 /nfs/dbraw/zinc/76/87/47/542768747.db2.gz NMZKKVUJNMFDNY-RRFJBIMHSA-N 1 0 320.437 2.261 50 0 DEAARO COCC1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000374317439 148229270 /nfs/dbraw/zinc/22/92/70/148229270.db2.gz SERSHUYAQXNIOE-MRXNPFEDSA-N 1 0 323.481 2.463 50 0 DEAARO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000007060552 401736592 /nfs/dbraw/zinc/73/65/92/401736592.db2.gz UIGABJQLRMFJQC-SJORKVTESA-N 1 0 307.434 2.198 50 0 DEAARO Cc1cc(OC[C@H](O)C[NH2+]CCCO)c(C(C)C)cc1Cl ZINC000007063766 401736661 /nfs/dbraw/zinc/73/66/61/401736661.db2.gz AZQDERRRWQBLAU-CYBMUJFWSA-N 1 0 315.841 2.484 50 0 DEAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000007222094 401738041 /nfs/dbraw/zinc/73/80/41/401738041.db2.gz NPFGXOTVTHKJEL-OAHLLOKOSA-N 1 0 317.433 2.336 50 0 DEAARO COc1cc(C)sc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000075093075 401749159 /nfs/dbraw/zinc/74/91/59/401749159.db2.gz SIYWSEBBIKNOLG-AWEZNQCLSA-N 1 0 314.476 2.232 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000007486516 401741127 /nfs/dbraw/zinc/74/11/27/401741127.db2.gz RLSGRPFHAIUJDK-HNNXBMFYSA-N 1 0 317.433 2.233 50 0 DEAARO COc1ccc2[nH]c(C(=O)NCC[NH+]3CCCCC3)cc2c1 ZINC000000114613 401688116 /nfs/dbraw/zinc/68/81/16/401688116.db2.gz PZNPLXPJIYDQTM-UHFFFAOYSA-N 1 0 301.390 2.392 50 0 DEAARO COc1ccc([C@H]2NC(=[NH2+])NC(=N)N2c2ccc(C)cc2)cc1 ZINC000000146418 401688457 /nfs/dbraw/zinc/68/84/57/401688457.db2.gz VZSYIRKPZUZAOC-HNNXBMFYSA-N 1 0 309.373 2.152 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 ZINC000071869896 401689534 /nfs/dbraw/zinc/68/95/34/401689534.db2.gz OZNXXZGFLBYEPP-HZPDHXFCSA-N 1 0 304.438 2.057 50 0 DEAARO O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCC1 ZINC000000212468 401690676 /nfs/dbraw/zinc/69/06/76/401690676.db2.gz CSJCIXFJSDWFOE-OAHLLOKOSA-N 1 0 316.401 2.250 50 0 DEAARO C[C@H](O)C[NH+]1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000071877445 401691191 /nfs/dbraw/zinc/69/11/91/401691191.db2.gz AABDGCOZDYVTDG-INIZCTEOSA-N 1 0 314.429 2.217 50 0 DEAARO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1CCc1ccccc1 ZINC000000317914 401694583 /nfs/dbraw/zinc/69/45/83/401694583.db2.gz WNIARGDFPKEWGV-GOSISDBHSA-N 1 0 322.408 2.189 50 0 DEAARO COc1c2c(cc3c1[C@@H](Cc1cc(C)on1)[N@H+](C)CC3)OCO2 ZINC000000488932 401699536 /nfs/dbraw/zinc/69/95/36/401699536.db2.gz FXHAALPDVFGBNW-CYBMUJFWSA-N 1 0 316.357 2.492 50 0 biogenic DEAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(-c2nnco2)cc1 ZINC000000571538 401701684 /nfs/dbraw/zinc/70/16/84/401701684.db2.gz RRLGJJHDSDWGRN-OAHLLOKOSA-N 1 0 317.389 2.399 50 0 DEAARO COc1nc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc2ccccc21 ZINC000072095175 401703562 /nfs/dbraw/zinc/70/35/62/401703562.db2.gz UCEYGMIQBQEGQP-GFCCVEGCSA-N 1 0 313.401 2.456 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000072123982 401703791 /nfs/dbraw/zinc/70/37/91/401703791.db2.gz OULMFEASNCURPL-OAHLLOKOSA-N 1 0 313.405 2.028 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000072253115 401704313 /nfs/dbraw/zinc/70/43/13/401704313.db2.gz HUYAEBADRHMQMQ-GOSISDBHSA-N 1 0 312.417 2.049 50 0 DEAARO CCOC(=O)CC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000002036622 401711400 /nfs/dbraw/zinc/71/14/00/401711400.db2.gz LRJQXEYJXMMPOA-AWEZNQCLSA-N 1 0 307.390 2.251 50 0 DEAARO CC[NH+]1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000013143271 401797164 /nfs/dbraw/zinc/79/71/64/401797164.db2.gz FGYGDUZILHCAGN-UHFFFAOYSA-N 1 0 303.450 2.302 50 0 DEAARO O=S(=O)(Cc1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000013675340 401802758 /nfs/dbraw/zinc/80/27/58/401802758.db2.gz KQECNDYBDRDPSI-UHFFFAOYSA-N 1 0 316.854 2.245 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 ZINC000075127274 401750390 /nfs/dbraw/zinc/75/03/90/401750390.db2.gz XLKGLLSIDLWQKR-KRWDZBQOSA-N 1 0 312.417 2.422 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000075132336 401750681 /nfs/dbraw/zinc/75/06/81/401750681.db2.gz YDYJTKPWPPMKGV-MRXNPFEDSA-N 1 0 312.417 2.473 50 0 DEAARO CCC[NH+](CCC)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000009550246 401763365 /nfs/dbraw/zinc/76/33/65/401763365.db2.gz XDSPJPAKJQDQNP-HNNXBMFYSA-N 1 0 309.406 2.415 50 0 DEAARO COC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863409 401771278 /nfs/dbraw/zinc/77/12/78/401771278.db2.gz MMAYZFQMOKUUGN-XJKSGUPXSA-N 1 0 312.841 2.026 50 0 DEAARO CN(C)c1ncccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000011953438 401777956 /nfs/dbraw/zinc/77/79/56/401777956.db2.gz AABXKJRTXLOMTQ-UHFFFAOYSA-N 1 0 316.449 2.172 50 0 DEAARO Cc1c(C(=O)NC(C)C)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012130632 401779828 /nfs/dbraw/zinc/77/98/28/401779828.db2.gz AJZDCHPBULETFY-UHFFFAOYSA-N 1 0 321.450 2.111 50 0 DEAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)n(C)n1 ZINC000012297554 401782376 /nfs/dbraw/zinc/78/23/76/401782376.db2.gz NMJTVDUUVUUJRR-SFHVURJKSA-N 1 0 316.449 2.067 50 0 DEAARO Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)n1 ZINC000012305282 401783415 /nfs/dbraw/zinc/78/34/15/401783415.db2.gz CGCGQEOUTPLCMY-QGZVFWFLSA-N 1 0 302.422 2.056 50 0 DEAARO C[NH+](C)CC[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000012429955 401785614 /nfs/dbraw/zinc/78/56/14/401785614.db2.gz YMAUIVLKGKUGKU-LBPRGKRZSA-N 1 0 314.788 2.272 50 0 DEAARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCC2)CC1 ZINC000012596887 401788979 /nfs/dbraw/zinc/78/89/79/401788979.db2.gz XWXRZDAHFDOWHN-INIZCTEOSA-N 1 0 316.449 2.205 50 0 DEAARO Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000076329323 401791081 /nfs/dbraw/zinc/79/10/81/401791081.db2.gz BPALRAXHOSMHNY-AWEZNQCLSA-N 1 0 318.465 2.308 50 0 DEAARO COc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1OC ZINC000027350253 401845216 /nfs/dbraw/zinc/84/52/16/401845216.db2.gz ALDKNTFTTMOENK-UHFFFAOYSA-N 1 0 314.385 2.435 50 0 DEAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000030904373 401867276 /nfs/dbraw/zinc/86/72/76/401867276.db2.gz VHLCFNXCGXQWPS-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2)CC1 ZINC000031091891 401868215 /nfs/dbraw/zinc/86/82/15/401868215.db2.gz WDONLHFSWDTLNF-UHFFFAOYSA-N 1 0 304.438 2.226 50 0 DEAARO COCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccccc1 ZINC000079101863 401870175 /nfs/dbraw/zinc/87/01/75/401870175.db2.gz SJTSUSHOLRNMCO-CVEARBPZSA-N 1 0 305.422 2.015 50 0 DEAARO Fc1ccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000077436837 401815219 /nfs/dbraw/zinc/81/52/19/401815219.db2.gz OQOYQQVDPDTASP-KRWDZBQOSA-N 1 0 322.424 2.391 50 0 DEAARO c1cc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cs1 ZINC000014993336 401815384 /nfs/dbraw/zinc/81/53/84/401815384.db2.gz ALCHEPFZFPFTSJ-ZDUSSCGKSA-N 1 0 304.419 2.249 50 0 DEAARO CC(=O)NCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000032740395 401882070 /nfs/dbraw/zinc/88/20/70/401882070.db2.gz SVPRGXCNNFRNLT-UHFFFAOYSA-N 1 0 308.385 2.251 50 0 DEAARO COc1cc(C(=O)N2CCC[N@H+](C)CC2)cc(Cl)c1OC ZINC000032963976 401886803 /nfs/dbraw/zinc/88/68/03/401886803.db2.gz YZGAAHASNQTLQE-UHFFFAOYSA-N 1 0 312.797 2.135 50 0 DEAARO COC(=O)[C@@H](C[N@H+](C)Cc1ccccc1)[C@H](O)c1ccncc1 ZINC000034858392 401893871 /nfs/dbraw/zinc/89/38/71/401893871.db2.gz KDXCSSVSRPXSBC-DLBZAZTESA-N 1 0 314.385 2.036 50 0 DEAARO C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000085469888 401916948 /nfs/dbraw/zinc/91/69/48/401916948.db2.gz OMHDYJFVOIZSMY-LLVKDONJSA-N 1 0 317.216 2.396 50 0 DEAARO CN1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000037887396 401918356 /nfs/dbraw/zinc/91/83/56/401918356.db2.gz LOROGLPMPYDXKR-AWEZNQCLSA-N 1 0 302.340 2.423 50 0 DEAARO Cc1n[nH]cc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000037989227 401919592 /nfs/dbraw/zinc/91/95/92/401919592.db2.gz BCJBZOSKXFHJGG-UHFFFAOYSA-N 1 0 324.178 2.499 50 0 DEAARO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)N1CCc2sccc2C1 ZINC000044937966 401951000 /nfs/dbraw/zinc/95/10/00/401951000.db2.gz OSNXDINXCZDCHE-CYBMUJFWSA-N 1 0 320.458 2.134 50 0 DEAARO CCc1nnsc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000044941682 401951325 /nfs/dbraw/zinc/95/13/25/401951325.db2.gz QVSVRXMGPBAAHP-LBPRGKRZSA-N 1 0 310.467 2.485 50 0 DEAARO Cc1cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)n2ncnc2n1 ZINC000089595992 401953402 /nfs/dbraw/zinc/95/34/02/401953402.db2.gz YINLLIGQWJJSSC-HNNXBMFYSA-N 1 0 314.437 2.278 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000048304212 401997526 /nfs/dbraw/zinc/99/75/26/401997526.db2.gz KYYILKGYMCNFGM-CYBMUJFWSA-N 1 0 300.358 2.007 50 0 DEAARO CC(C)OCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000089887860 401970322 /nfs/dbraw/zinc/97/03/22/401970322.db2.gz PDFCTEQFMIDYSQ-OAHLLOKOSA-N 1 0 312.479 2.478 50 0 DEAARO Cc1ccn2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)nc2c1 ZINC000046859671 401974270 /nfs/dbraw/zinc/97/42/70/401974270.db2.gz GEQLCJMGWWMZQQ-AWEZNQCLSA-N 1 0 300.406 2.247 50 0 DEAARO CCC[N@@H+]1CCCC[C@H]1C(=O)NCCc1csc(N(C)C)n1 ZINC000089959054 401976990 /nfs/dbraw/zinc/97/69/90/401976990.db2.gz AUSRWYORTXKDEA-AWEZNQCLSA-N 1 0 324.494 2.132 50 0 DEAARO Cc1cc(C)cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000047423080 401982312 /nfs/dbraw/zinc/98/23/12/401982312.db2.gz DTNAZSQJVZFXHW-UHFFFAOYSA-N 1 0 316.445 2.488 50 0 DEAARO COCc1ccccc1CNC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000089420374 401945906 /nfs/dbraw/zinc/94/59/06/401945906.db2.gz MXSHHHBHGFHSSG-HOTGVXAUSA-N 1 0 302.418 2.181 50 0 DEAARO O=C(NCc1ccccn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000044889773 401949090 /nfs/dbraw/zinc/94/90/90/401949090.db2.gz YRIPERNDCILWFO-HNNXBMFYSA-N 1 0 314.389 2.311 50 0 DEAARO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCc1ccc(F)cc1 ZINC000089478461 401949780 /nfs/dbraw/zinc/94/97/80/401949780.db2.gz KJVLZLGKGVVQGR-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/04/06/50/402040650.db2.gz KWZVAZSYTKDMCZ-OAHLLOKOSA-N 1 0 321.490 2.115 50 0 DEAARO Cc1cc(C)cc(NC(=O)CC(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000055211279 402077704 /nfs/dbraw/zinc/07/77/04/402077704.db2.gz SEUCZGHJKIARIZ-MRXNPFEDSA-N 1 0 317.433 2.233 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000096419627 402081967 /nfs/dbraw/zinc/08/19/67/402081967.db2.gz UNZDNFQFRNAWLP-XHSDSOJGSA-N 1 0 302.418 2.292 50 0 DEAARO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000055902737 402087466 /nfs/dbraw/zinc/08/74/66/402087466.db2.gz SDUDYHSDRJIMAP-DOTOQJQBSA-N 1 0 324.490 2.269 50 0 DEAARO O=C(Cc1ccccc1O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000096441088 402087899 /nfs/dbraw/zinc/08/78/99/402087899.db2.gz DLALYCCPAGHDBG-MRXNPFEDSA-N 1 0 302.418 2.315 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H]3CCOC3)C2)c1 ZINC000096448422 402089058 /nfs/dbraw/zinc/08/90/58/402089058.db2.gz MUZVGFCUWPEBPD-HUUCEWRRSA-N 1 0 320.433 2.251 50 0 DEAARO CC[NH+](CC)CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000057179449 402093243 /nfs/dbraw/zinc/09/32/43/402093243.db2.gz RYWCMSFCLWINLL-UHFFFAOYSA-N 1 0 322.424 2.332 50 0 DEAARO O=S1(=O)CC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000096476488 402093525 /nfs/dbraw/zinc/09/35/25/402093525.db2.gz ZNJTUAVONWZNLS-IUODEOHRSA-N 1 0 311.472 2.041 50 0 DEAARO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000096476614 402093626 /nfs/dbraw/zinc/09/36/26/402093626.db2.gz ZDRDLMAXTREZDW-ZDUSSCGKSA-N 1 0 309.841 2.155 50 0 DEAARO c1ccc2[nH]c(CN3CC[NH+](C[C@H]4CCCOC4)CC3)nc2c1 ZINC000096490483 402095672 /nfs/dbraw/zinc/09/56/72/402095672.db2.gz WRHCMSOGOLDFQB-OAHLLOKOSA-N 1 0 314.433 2.107 50 0 DEAARO CCc1ccc([C@H]([NH2+]CC(=O)N2CCNC2=O)C(C)(C)C)o1 ZINC000096491814 402095735 /nfs/dbraw/zinc/09/57/35/402095735.db2.gz MCYDBTCCOXRRAC-AWEZNQCLSA-N 1 0 307.394 2.071 50 0 DEAARO Cn1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c2ccccc21 ZINC000058341241 402100048 /nfs/dbraw/zinc/10/00/48/402100048.db2.gz JTZBXZVHPHNYCN-UHFFFAOYSA-N 1 0 311.389 2.189 50 0 DEAARO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1(C)C ZINC000097034800 402100789 /nfs/dbraw/zinc/10/07/89/402100789.db2.gz XSUUWLSUVMPNPQ-LSDHHAIUSA-N 1 0 317.495 2.241 50 0 DEAARO C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000097048267 402102914 /nfs/dbraw/zinc/10/29/14/402102914.db2.gz RDIHDAORBRFFKF-DOTOQJQBSA-N 1 0 319.449 2.140 50 0 DEAARO COC(=O)C1CCN(CCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000097048461 402102925 /nfs/dbraw/zinc/10/29/25/402102925.db2.gz BQGQRDXYFZHSEH-OKILXGFUSA-N 1 0 314.495 2.087 50 0 DEAARO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000097080397 402104464 /nfs/dbraw/zinc/10/44/64/402104464.db2.gz ZMNUFIWRXUWIRX-LBPRGKRZSA-N 1 0 324.808 2.085 50 0 DEAARO COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1=O ZINC000097084623 402105446 /nfs/dbraw/zinc/10/54/46/402105446.db2.gz PPXDAVIWBRFNIX-CHWSQXEVSA-N 1 0 306.431 2.286 50 0 DEAARO NC(=O)c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000097124906 402109732 /nfs/dbraw/zinc/10/97/32/402109732.db2.gz XXTKZEOZRDVHTE-UHFFFAOYSA-N 1 0 320.396 2.320 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000097159469 402112955 /nfs/dbraw/zinc/11/29/55/402112955.db2.gz JNWZOBRIWZLCDF-GOSISDBHSA-N 1 0 314.433 2.190 50 0 DEAARO CC1CC[NH+](C[C@H](O)CN2C[C@H](C)Oc3ccccc32)CC1 ZINC000097212465 402118259 /nfs/dbraw/zinc/11/82/59/402118259.db2.gz JYARJTLHKIBTPM-HOTGVXAUSA-N 1 0 304.434 2.367 50 0 DEAARO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234103 402119374 /nfs/dbraw/zinc/11/93/74/402119374.db2.gz LXXLCRKSJPJKPN-JSGCOSHPSA-N 1 0 308.426 2.298 50 0 DEAARO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234106 402119412 /nfs/dbraw/zinc/11/94/12/402119412.db2.gz LXXLCRKSJPJKPN-GXTWGEPZSA-N 1 0 308.426 2.298 50 0 DEAARO C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C1(C)CC[NH2+]CC1 ZINC000096139637 402062216 /nfs/dbraw/zinc/06/22/16/402062216.db2.gz YWOGWLJFVCJXCG-CQSZACIVSA-N 1 0 303.450 2.190 50 0 DEAARO C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000097237431 402119671 /nfs/dbraw/zinc/11/96/71/402119671.db2.gz UAVZMHGNYYLGHI-QKPAOTATSA-N 1 0 323.481 2.458 50 0 DEAARO CSc1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)c1 ZINC000097514396 402126756 /nfs/dbraw/zinc/12/67/56/402126756.db2.gz IFYLLCJLEZXJAL-UHFFFAOYSA-N 1 0 315.446 2.200 50 0 DEAARO COc1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1OC ZINC000097694911 402130545 /nfs/dbraw/zinc/13/05/45/402130545.db2.gz XIZCJNVIOHABHK-UHFFFAOYSA-N 1 0 320.433 2.000 50 0 DEAARO O[C@@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F ZINC000097378159 402123586 /nfs/dbraw/zinc/12/35/86/402123586.db2.gz GWLCIGOPPQAPIB-UONOGXRCSA-N 1 0 317.307 2.422 50 0 DEAARO C[C@@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H](C)[NH2+]1 ZINC000153433255 402144950 /nfs/dbraw/zinc/14/49/50/402144950.db2.gz ZOSZSWMZYOBDKI-GHMZBOCLSA-N 1 0 302.403 2.028 50 0 DEAARO C[C@@H]1C[NH+](Cc2ccccc2CNCc2cc[nH]n2)C[C@@H](C)O1 ZINC000066990222 402149908 /nfs/dbraw/zinc/14/99/08/402149908.db2.gz QYWOUZJBKNLEGE-HUUCEWRRSA-N 1 0 314.433 2.309 50 0 DEAARO COc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000067947731 402179881 /nfs/dbraw/zinc/17/98/81/402179881.db2.gz SADSQHQTLKLWFP-KRWDZBQOSA-N 1 0 319.405 2.311 50 0 DEAARO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000068065060 402183431 /nfs/dbraw/zinc/18/34/31/402183431.db2.gz BMOMQMSQUMCVQU-LLVKDONJSA-N 1 0 303.406 2.056 50 0 DEAARO Cc1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000068048935 402183611 /nfs/dbraw/zinc/18/36/11/402183611.db2.gz ZKERVMUFZVPMRC-SFHVURJKSA-N 1 0 315.413 2.229 50 0 DEAARO C[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000153654119 402160834 /nfs/dbraw/zinc/16/08/34/402160834.db2.gz RSZXVEWSDGMGCH-AOOOYVTPSA-N 1 0 300.761 2.067 50 0 DEAARO COc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)C[NH3+] ZINC000067559898 402162443 /nfs/dbraw/zinc/16/24/43/402162443.db2.gz YJDDGEMZJVCVBJ-LBPRGKRZSA-N 1 0 315.373 2.094 50 0 DEAARO CCn1ccnc1CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067605020 402164585 /nfs/dbraw/zinc/16/45/85/402164585.db2.gz NVSLPGXJYFMNLS-CQSZACIVSA-N 1 0 314.437 2.105 50 0 DEAARO C[C@H]1C[NH+](Cc2ccc(CNCc3ncc[nH]3)cc2)C[C@H](C)O1 ZINC000067668527 402166433 /nfs/dbraw/zinc/16/64/33/402166433.db2.gz FAJXDMTWWXBCJV-GJZGRUSLSA-N 1 0 314.433 2.309 50 0 DEAARO CC[C@H](NC(=O)c1c(F)cccc1F)C1=CCC[N@H+](CCO)C1 ZINC000067695811 402167856 /nfs/dbraw/zinc/16/78/56/402167856.db2.gz WGKGFMYJZAMWES-HNNXBMFYSA-N 1 0 324.371 2.098 50 0 DEAARO Cc1nc(CC[NH3+])cc(N(C)Cc2cccc3cnccc32)n1 ZINC000067784602 402172407 /nfs/dbraw/zinc/17/24/07/402172407.db2.gz MMNQTSFBHKVHPB-UHFFFAOYSA-N 1 0 307.401 2.471 50 0 DEAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000067872351 402176810 /nfs/dbraw/zinc/17/68/10/402176810.db2.gz SGGXRWQUANVFEH-INIZCTEOSA-N 1 0 321.808 2.150 50 0 DEAARO Cc1cccnc1N1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000067878740 402177609 /nfs/dbraw/zinc/17/76/09/402177609.db2.gz DIQNIEDNDPSLMX-UHFFFAOYSA-N 1 0 309.373 2.248 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)C[C@@H]1C ZINC000106840939 402217359 /nfs/dbraw/zinc/21/73/59/402217359.db2.gz AECWMQUEOQLVCI-KBPBESRZSA-N 1 0 317.408 2.261 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](c1ccsc1)N(C)C)CN2 ZINC000069348586 402218901 /nfs/dbraw/zinc/21/89/01/402218901.db2.gz IFMMXAOBZOUPNE-HIFRSBDPSA-N 1 0 319.478 2.187 50 0 DEAARO CCc1nc(CCNC(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)sc1C ZINC000069369797 402220341 /nfs/dbraw/zinc/22/03/41/402220341.db2.gz CKILGXHJGDSKSF-CYBMUJFWSA-N 1 0 324.494 2.338 50 0 DEAARO COCC[N@@H+]1CCN(Cc2nc(C)c3ccccc3n2)C[C@@H]1C ZINC000106907000 402221806 /nfs/dbraw/zinc/22/18/06/402221806.db2.gz IJLILIPWCMXTIG-AWEZNQCLSA-N 1 0 314.433 2.091 50 0 DEAARO CC[C@H]1CN(CCOc2cccc(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000106906649 402221956 /nfs/dbraw/zinc/22/19/56/402221956.db2.gz SAMFDMCCOVCRPX-IRXDYDNUSA-N 1 0 306.450 2.151 50 0 DEAARO O=C(NCC[NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1O ZINC000154662826 402224810 /nfs/dbraw/zinc/22/48/10/402224810.db2.gz YZUXZMVHFSNEMB-MRXNPFEDSA-N 1 0 310.397 2.269 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000069459665 402225558 /nfs/dbraw/zinc/22/55/58/402225558.db2.gz OQBUNGHQCDRKTD-ZDUSSCGKSA-N 1 0 314.368 2.090 50 0 DEAARO CCC[NH+]1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 ZINC000069484486 402226153 /nfs/dbraw/zinc/22/61/53/402226153.db2.gz KZWBHNLENAHCGF-UHFFFAOYSA-N 1 0 317.389 2.340 50 0 DEAARO Cc1nn(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c(C)c1Cl ZINC000069571433 402232623 /nfs/dbraw/zinc/23/26/23/402232623.db2.gz WLCLFKBCXVPOBR-ZIAGYGMSSA-N 1 0 324.856 2.239 50 0 DEAARO c1nc(N2CCOCC2)ncc1C[NH2+]CCC1=CCCCC1 ZINC000069644927 402236568 /nfs/dbraw/zinc/23/65/68/402236568.db2.gz AIQHTGYDDXAPEL-UHFFFAOYSA-N 1 0 302.422 2.293 50 0 DEAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069664253 402237714 /nfs/dbraw/zinc/23/77/14/402237714.db2.gz VBUKETIBJJZMLL-HIFRSBDPSA-N 1 0 317.433 2.489 50 0 DEAARO 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/nfs/dbraw/zinc/87/09/60/405870960.db2.gz UNWMLXOKWGOARE-ZETCQYMHSA-N 1 0 309.229 2.429 50 0 DEAARO C[C@H]1C[C@@H](NCc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118076 405870020 /nfs/dbraw/zinc/87/00/20/405870020.db2.gz ANUGWYXKRPNIBP-RDJZCZTQSA-N 1 0 306.450 2.410 50 0 DEAARO CCOCCCNC(=O)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000575314047 406806644 /nfs/dbraw/zinc/80/66/44/406806644.db2.gz XRCNIEQTZNTKTO-INIZCTEOSA-N 1 0 311.470 2.463 50 0 DEAARO C[C@@H](c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1)N1CCOCC1 ZINC000095352530 287130508 /nfs/dbraw/zinc/13/05/08/287130508.db2.gz QNZFHBGFEJJAIE-ZDUSSCGKSA-N 1 0 312.417 2.116 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cnns2)[C@@H]1c1cccs1 ZINC000129725643 196071283 /nfs/dbraw/zinc/07/12/83/196071283.db2.gz BXXAXXMMXFJJJC-GXFFZTMASA-N 1 0 322.459 2.413 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131784657 196199720 /nfs/dbraw/zinc/19/97/20/196199720.db2.gz ZBRWRZYPNVIZGJ-SCZZXKLOSA-N 1 0 323.245 2.494 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000132253041 196239249 /nfs/dbraw/zinc/23/92/49/196239249.db2.gz JPACYDICILFCNC-ZMLRMANQSA-N 1 0 314.307 2.248 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2F)C1 ZINC000132265035 196239917 /nfs/dbraw/zinc/23/99/17/196239917.db2.gz WEOQPENXMRETSR-CLUFZFBRSA-N 1 0 313.170 2.161 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000132871912 196291819 /nfs/dbraw/zinc/29/18/19/196291819.db2.gz AYQOYCGIGCKHGB-CYBMUJFWSA-N 1 0 312.360 2.334 50 0 DEAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000245339278 225218846 /nfs/dbraw/zinc/21/88/46/225218846.db2.gz RQYVGAHFIUUQAZ-FMKPAKJESA-N 1 0 322.474 2.414 50 0 DEAARO CC[C@@](CO)(C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000004698309 287399767 /nfs/dbraw/zinc/39/97/67/287399767.db2.gz UVFFMBYRGIAWRW-RZRMAFQFSA-N 1 0 317.429 2.495 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 ZINC000299739561 229373025 /nfs/dbraw/zinc/37/30/25/229373025.db2.gz QAUSXXHPBUBGCS-CHWSQXEVSA-N 1 0 310.825 2.442 50 0 DEAARO c1nnc2ccc(N3CCC(C[NH+]4CCCCCC4)CC3)nn12 ZINC000048346035 424832857 /nfs/dbraw/zinc/83/28/57/424832857.db2.gz AXURKYSWEFUTLR-UHFFFAOYSA-N 1 0 314.437 2.217 50 0 DEAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1nncs1 ZINC000047497685 424825851 /nfs/dbraw/zinc/82/58/51/424825851.db2.gz VWOHCKJAEGPIAX-UHFFFAOYSA-N 1 0 319.434 2.176 50 0 DEAARO CCC(C)(C)C(=O)N1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048087839 424829586 /nfs/dbraw/zinc/82/95/86/424829586.db2.gz AFNWJRDVZLKZDU-ZDUSSCGKSA-N 1 0 321.469 2.147 50 0 DEAARO O=C(NCc1cc[nH]n1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000048248212 424830754 /nfs/dbraw/zinc/83/07/54/424830754.db2.gz STHMSLYIAFJFHI-CYBMUJFWSA-N 1 0 319.434 2.108 50 0 DEAARO CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000048781851 424835791 /nfs/dbraw/zinc/83/57/91/424835791.db2.gz JBCQNLLHHAMUIG-UHFFFAOYSA-N 1 0 302.349 2.240 50 0 DEAARO c1ccc(CN2CCO[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]32)cc1 ZINC000108106749 424851154 /nfs/dbraw/zinc/85/11/54/424851154.db2.gz NTGQMHKEXXMLGL-GUDVDZBRSA-N 1 0 316.445 2.141 50 0 DEAARO O=C(CC[NH+]1CCC2(CCO2)CC1)NCc1ccccc1F ZINC000252510084 424888206 /nfs/dbraw/zinc/88/82/06/424888206.db2.gz ZBDIBJPFTXGWHI-UHFFFAOYSA-N 1 0 306.381 2.087 50 0 DEAARO CC[NH+](CC)CCn1c(=O)c2ccccc2n(CC(C)C)c1=O ZINC000140155228 276101813 /nfs/dbraw/zinc/10/18/13/276101813.db2.gz OTAFPBVEHHMBDM-UHFFFAOYSA-N 1 0 317.433 2.161 50 0 DEAARO COCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000096431280 277228717 /nfs/dbraw/zinc/22/87/17/277228717.db2.gz FDNNWAVCEORMKI-GXTWGEPZSA-N 1 0 311.451 2.077 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(F)ccc1Br ZINC000122646337 277284827 /nfs/dbraw/zinc/28/48/27/277284827.db2.gz ZAOKHBFYSHPWRI-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO CC(C)c1ccc(C(=O)N2CCCC[C@H]([NH+](C)C)C2)c(=O)n1C ZINC000082155853 278022786 /nfs/dbraw/zinc/02/27/86/278022786.db2.gz PKBWEHFQDBTLEO-AWEZNQCLSA-N 1 0 319.449 2.065 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccccc2)o1 ZINC000249288973 278270897 /nfs/dbraw/zinc/27/08/97/278270897.db2.gz QHLHNEPVBRCYEC-IACUBPJLSA-N 1 0 314.389 2.431 50 0 DEAARO C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC([NH3+])CC1 ZINC000237393956 278620396 /nfs/dbraw/zinc/62/03/96/278620396.db2.gz WWKGZPPOOPCYOK-CQSZACIVSA-N 1 0 301.434 2.168 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000069619786 279268959 /nfs/dbraw/zinc/26/89/59/279268959.db2.gz FCXGIAXWZKEBNV-QGZVFWFLSA-N 1 0 317.433 2.178 50 0 DEAARO Cc1[nH+]c2ccc(F)cc2c(N2CCN3C(=O)NC[C@H]3C2)c1C ZINC000097145040 282061463 /nfs/dbraw/zinc/06/14/63/282061463.db2.gz GHMDMUKSYKTBGT-ZDUSSCGKSA-N 1 0 314.364 2.205 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000097159306 293100089 /nfs/dbraw/zinc/10/00/89/293100089.db2.gz HQBSYLDQONPOAI-HNNXBMFYSA-N 1 0 320.462 2.251 50 0 DEAARO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000097009247 295251112 /nfs/dbraw/zinc/25/11/12/295251112.db2.gz VDVCHSVGABMNFD-SWLSCSKDSA-N 1 0 319.430 2.031 50 0 DEAARO [NH3+]C1(C(=O)N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 ZINC000067643722 303353992 /nfs/dbraw/zinc/35/39/92/303353992.db2.gz QQSGWHHXXMOPDA-OAHLLOKOSA-N 1 0 324.428 2.198 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000044966564 331701474 /nfs/dbraw/zinc/70/14/74/331701474.db2.gz GQTGVUVSXOEHBQ-ZIAGYGMSSA-N 1 0 323.462 2.315 50 0 DEAARO CCCn1ncc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000091254492 332102191 /nfs/dbraw/zinc/10/21/91/332102191.db2.gz KCISPZFXZYTIJC-UHFFFAOYSA-N 1 0 304.438 2.302 50 0 DEAARO CCn1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000189606950 333163663 /nfs/dbraw/zinc/16/36/63/333163663.db2.gz QSDWGVPNWIPFNP-OLZOCXBDSA-N 1 0 305.344 2.476 50 0 DEAARO [NH3+][C@@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 ZINC000534641413 334311447 /nfs/dbraw/zinc/31/14/47/334311447.db2.gz DFTDJXRGIOHLSN-SNVBAGLBSA-N 1 0 315.343 2.023 50 0 DEAARO C[C@@H](c1ccncn1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534658248 334315063 /nfs/dbraw/zinc/31/50/63/334315063.db2.gz QNBNKOLUQRLIAO-ZDUSSCGKSA-N 1 0 305.426 2.053 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2nn(C)c3ccc(C)cc23)C1 ZINC000534675213 334320304 /nfs/dbraw/zinc/32/03/04/334320304.db2.gz LBPBLGZWBVKXBY-CYBMUJFWSA-N 1 0 316.405 2.202 50 0 DEAARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000299746858 533715494 /nfs/dbraw/zinc/71/54/94/533715494.db2.gz BKSIOSDGWHPWRD-KJNMHVQDSA-N 1 0 321.179 2.033 50 0 DEAARO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(N)=O ZINC000097371672 337382554 /nfs/dbraw/zinc/38/25/54/337382554.db2.gz ADDLIOAIBARWSD-LBPRGKRZSA-N 1 0 304.390 2.081 50 0 DEAARO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(N)=O ZINC000097371673 337382596 /nfs/dbraw/zinc/38/25/96/337382596.db2.gz ADDLIOAIBARWSD-GFCCVEGCSA-N 1 0 304.390 2.081 50 0 DEAARO C[C@H](O)CCC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408519771 534053547 /nfs/dbraw/zinc/05/35/47/534053547.db2.gz ZWOMFTYLLKAIFE-JKSUJKDBSA-N 1 0 319.449 2.296 50 0 DEAARO COC(=O)c1oc([C@@H](C)[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1C ZINC000245964107 534378183 /nfs/dbraw/zinc/37/81/83/534378183.db2.gz DTMRFTAURGAQIF-TZMCWYRMSA-N 1 0 322.405 2.236 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091255819 521853629 /nfs/dbraw/zinc/85/36/29/521853629.db2.gz LHPGITBJTDMKRW-CHWSQXEVSA-N 1 0 300.805 2.081 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000158156929 527400646 /nfs/dbraw/zinc/40/06/46/527400646.db2.gz YGVNPKOVYIHDRB-HNNXBMFYSA-N 1 0 306.381 2.316 50 0 DEAARO CCC[C@@]1(C(=O)OCC)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000408514843 527915735 /nfs/dbraw/zinc/91/57/35/527915735.db2.gz IHZPBLSCGDGAHR-KRWDZBQOSA-N 1 0 310.438 2.053 50 0 DEAARO CCO[C@H](C)c1nc(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cs1 ZINC000408519966 528007312 /nfs/dbraw/zinc/00/73/12/528007312.db2.gz WWUWCHVYETYWDF-IJLUTSLNSA-N 1 0 311.451 2.121 50 0 DEAARO CCOCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000240555908 528554465 /nfs/dbraw/zinc/55/44/65/528554465.db2.gz GYBXUYWFDANQME-NVXWUHKLSA-N 1 0 304.434 2.392 50 0 DEAARO CCC(CC)[NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000007063710 528803585 /nfs/dbraw/zinc/80/35/85/528803585.db2.gz TVDWPFXCNCDLSA-OAHLLOKOSA-N 1 0 309.406 2.416 50 0 DEAARO CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245344137 528813446 /nfs/dbraw/zinc/81/34/46/528813446.db2.gz XTDLBJBUBDSQDX-GXTWGEPZSA-N 1 0 316.492 2.460 50 0 DEAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cc1 ZINC000453277698 536320997 /nfs/dbraw/zinc/32/09/97/536320997.db2.gz BSBXPKYZARMDGJ-CYBMUJFWSA-N 1 0 319.430 2.149 50 0 DEAARO COc1ccc2ccccc2c1CN1CC[N@H+](C)[C@@H](CCO)C1 ZINC000022852395 624782105 /nfs/dbraw/zinc/78/21/05/624782105.db2.gz XKBRWAAPSFUISH-INIZCTEOSA-N 1 0 314.429 2.347 50 0 DEAARO CC(C)(C)C[N@@H+]1CCN(C2CCSCC2)C[C@@H]1CCO ZINC000023375248 632951548 /nfs/dbraw/zinc/95/15/48/632951548.db2.gz DCRLGOTZELEMCB-HNNXBMFYSA-N 1 0 300.512 2.297 50 0 DEAARO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000888100501 635551554 /nfs/dbraw/zinc/55/15/54/635551554.db2.gz AEVZZNTVMXLCIG-ZDUSSCGKSA-N 1 0 301.394 2.044 50 0 DEAARO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CC[C@H](OC(F)F)C2)C1 ZINC000888099971 635555267 /nfs/dbraw/zinc/55/52/67/635555267.db2.gz MEAHHNUIDCLDPY-AGIUHOORSA-N 1 0 319.396 2.178 50 0 DEAARO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)C2)cc1F ZINC000895503804 638055715 /nfs/dbraw/zinc/05/57/15/638055715.db2.gz COGXFQNVFGKACI-TZQJONAQSA-N 1 0 322.380 2.483 50 0 DEAARO Cc1ncc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)s1 ZINC000038149500 683887128 /nfs/dbraw/zinc/88/71/28/683887128.db2.gz GBTPCZWXFLQPEI-OAHLLOKOSA-N 1 0 311.495 2.366 50 0 DEAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067842822 683925939 /nfs/dbraw/zinc/92/59/39/683925939.db2.gz GXBFHGOQNVXIEV-AWEZNQCLSA-N 1 0 315.348 2.117 50 0 DEAARO CN(C)[C@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000095361478 684052845 /nfs/dbraw/zinc/05/28/45/684052845.db2.gz PUDWBOUWQQTXPM-KRWDZBQOSA-N 1 0 319.424 2.125 50 0 DEAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nc(C(F)(F)F)n2)C1 ZINC000189200993 684375487 /nfs/dbraw/zinc/37/54/87/684375487.db2.gz IHNLKVHRPNAZPZ-SNVBAGLBSA-N 1 0 316.327 2.018 50 0 DEAARO CCc1[nH]nc(Cl)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000864089043 686617348 /nfs/dbraw/zinc/61/73/48/686617348.db2.gz LRNCWVSIRVUDMC-UHFFFAOYSA-N 1 0 324.787 2.284 50 0 DEAARO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3F)C[C@@H]2C1 ZINC000585127101 790320559 /nfs/dbraw/zinc/32/05/59/790320559.db2.gz PYJJORXMHAMAGC-BDAKNGLRSA-N 1 0 316.298 2.267 50 0 DEAARO O=C(c1cc(F)c(F)c(F)c1F)N1CC([NH+]2CCCC2)C1 ZINC000585127252 790321188 /nfs/dbraw/zinc/32/11/88/790321188.db2.gz UYPPUUJHAXWPCD-UHFFFAOYSA-N 1 0 302.271 2.163 50 0 DEAARO CCc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000585120828 790316647 /nfs/dbraw/zinc/31/66/47/790316647.db2.gz NZPZNCYWMYJIPB-SFHVURJKSA-N 1 0 318.461 2.037 50 0 DEAARO Cc1cccc(CS(=O)(=O)N2CCC[N@@H+](C3CCC3)CC2)c1 ZINC000825219031 783620419 /nfs/dbraw/zinc/62/04/19/783620419.db2.gz AOWDXPORLXZRJA-UHFFFAOYSA-N 1 0 322.474 2.385 50 0 DEAARO Cn1c2ccccc2nc1[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000825631409 783635190 /nfs/dbraw/zinc/63/51/90/783635190.db2.gz YWZNWLCSJVBAAE-AWEZNQCLSA-N 1 0 310.405 2.044 50 0 DEAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1)C1CCOCC1 ZINC000827763591 783689431 /nfs/dbraw/zinc/68/94/31/783689431.db2.gz BSZLVJWBULDRMR-AWEZNQCLSA-N 1 0 306.406 2.034 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)C2CCCC2)C1)C1CCN(C)CC1 ZINC000581799637 784779434 /nfs/dbraw/zinc/77/94/34/784779434.db2.gz BFFIYCNLNRGRAS-UHFFFAOYSA-N 1 0 321.509 2.440 50 0 DEAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C/C(C)=C/C(=O)OC)C1 ZINC000585116740 789703380 /nfs/dbraw/zinc/70/33/80/789703380.db2.gz HCSIGUPVWDLINQ-XEZFYOOLSA-N 1 0 310.438 2.123 50 0 DEAARO C[NH+](C)CCCC(C)(C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000585121380 789707533 /nfs/dbraw/zinc/70/75/33/789707533.db2.gz 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CCC[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(C)=O ZINC000095508860 185375922 /nfs/dbraw/zinc/37/59/22/185375922.db2.gz AKZFJYGPLUBETA-RHSMWYFYSA-N 1 0 308.397 2.441 50 0 DEAARO Cc1ccccc1-n1c(C[NH3+])nnc1SC[C@@H]1CCOC1 ZINC000426359501 230789519 /nfs/dbraw/zinc/78/95/19/230789519.db2.gz INETXRGSJXGYBS-GFCCVEGCSA-N 1 0 304.419 2.163 50 0 DEAARO O=C(c1cccc(Cl)c1)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000078971118 185137114 /nfs/dbraw/zinc/13/71/14/185137114.db2.gz CUCTYLZWPQKHEC-UHFFFAOYSA-N 1 0 322.836 2.403 50 0 DEAARO C[C@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)O1 ZINC000079030224 185147522 /nfs/dbraw/zinc/14/75/22/185147522.db2.gz WQIAJSZZQNOLAM-XJKSGUPXSA-N 1 0 320.458 2.394 50 0 DEAARO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000079097504 185158142 /nfs/dbraw/zinc/15/81/42/185158142.db2.gz MYZJKJDLABOKML-LJQANCHMSA-N 1 0 316.445 2.335 50 0 DEAARO C[C@@H](COc1ccc(F)c(F)c1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000090053813 185279954 /nfs/dbraw/zinc/27/99/54/185279954.db2.gz 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185360228 /nfs/dbraw/zinc/36/02/28/185360228.db2.gz SDWOYGFZFZYXAS-LLVKDONJSA-N 1 0 314.418 2.321 50 0 DEAARO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)sc1C ZINC000028012678 539331971 /nfs/dbraw/zinc/33/19/71/539331971.db2.gz GKTCNFRWEXHZBL-CQSZACIVSA-N 1 0 310.463 2.452 50 0 DEAARO O=C1OCCN1CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000095431927 185363477 /nfs/dbraw/zinc/36/34/77/185363477.db2.gz FRDMAMZTVAFLNH-UHFFFAOYSA-N 1 0 324.808 2.388 50 0 DEAARO C[N@H+](CCc1nccs1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000095435441 185364609 /nfs/dbraw/zinc/36/46/09/185364609.db2.gz CEUTZOAPMHPMSM-UHFFFAOYSA-N 1 0 314.414 2.097 50 0 DEAARO COc1ccc(OC)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000095459509 185370597 /nfs/dbraw/zinc/37/05/97/185370597.db2.gz SNSGOZWFUNFFEJ-HNNXBMFYSA-N 1 0 307.390 2.479 50 0 DEAARO COc1ccc(OC)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000095459508 185370789 /nfs/dbraw/zinc/37/07/89/185370789.db2.gz SNSGOZWFUNFFEJ-OAHLLOKOSA-N 1 0 307.390 2.479 50 0 DEAARO CCc1ccc(-n2nc(C(=O)N3CC[C@@H]([NH3+])C3)c3c2CCC3)cc1 ZINC000097019551 185397889 /nfs/dbraw/zinc/39/78/89/185397889.db2.gz MRCFSIWLVBMAOQ-CQSZACIVSA-N 1 0 324.428 2.097 50 0 DEAARO Cc1nn2c(nc(C[N@@H+]([C@@H](C)C3CC3)C3CC3)cc2=O)s1 ZINC000052607047 282308522 /nfs/dbraw/zinc/30/85/22/282308522.db2.gz CLYYQDNWUHNDPD-VIFPVBQESA-N 1 0 304.419 2.222 50 0 DEAARO Cc1nc2c(cnn2C)c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000106827572 185454140 /nfs/dbraw/zinc/45/41/40/185454140.db2.gz REDQKQRSQBKWOX-VXGBXAGGSA-N 1 0 302.426 2.204 50 0 DEAARO Cc1nc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)sc1C ZINC000084064517 539392368 /nfs/dbraw/zinc/39/23/68/539392368.db2.gz WOWMAOIOJXZLQR-ZDUSSCGKSA-N 1 0 324.450 2.135 50 0 DEAARO CCCc1noc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000084759039 539398136 /nfs/dbraw/zinc/39/81/36/539398136.db2.gz BMGNPZLGKZAJCL-ZOWXZIJZSA-N 1 0 319.409 2.184 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000090394190 539415782 /nfs/dbraw/zinc/41/57/82/539415782.db2.gz OOARXHPVXQGOAA-WCQYABFASA-N 1 0 318.446 2.468 50 0 DEAARO C[C@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000090916702 539418723 /nfs/dbraw/zinc/41/87/23/539418723.db2.gz OPDDOCKJICJAAH-KGLIPLIRSA-N 1 0 323.441 2.046 50 0 DEAARO FC(F)COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000091411901 539419736 /nfs/dbraw/zinc/41/97/36/539419736.db2.gz AADFKJCGJNPHOK-ZIAGYGMSSA-N 1 0 311.376 2.442 50 0 DEAARO OC1CC[NH+](CCCNc2ccnc(-c3ccccc3)n2)CC1 ZINC000069878820 190832711 /nfs/dbraw/zinc/83/27/11/190832711.db2.gz VDJCGKWOLUXPEN-UHFFFAOYSA-N 1 0 312.417 2.402 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000069952164 190842963 /nfs/dbraw/zinc/84/29/63/190842963.db2.gz SLEVCEFHLYCABM-ZIAGYGMSSA-N 1 0 318.396 2.047 50 0 DEAARO C[C@H](O)C[NH+]1CCC(CN(C)c2ncnc3ccccc32)CC1 ZINC000069901434 190836592 /nfs/dbraw/zinc/83/65/92/190836592.db2.gz UMKXJXMFKAFPDI-AWEZNQCLSA-N 1 0 314.433 2.159 50 0 DEAARO CCCOc1ccc(/C=C\C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000255025193 282608463 /nfs/dbraw/zinc/60/84/63/282608463.db2.gz ZKNMUXLXOCLFID-IQCBXXCUSA-N 1 0 318.417 2.318 50 0 DEAARO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000221970998 539728591 /nfs/dbraw/zinc/72/85/91/539728591.db2.gz PJGGDODQRCLYBN-LBPRGKRZSA-N 1 0 319.346 2.180 50 0 DEAARO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000071662537 191000062 /nfs/dbraw/zinc/00/00/62/191000062.db2.gz DIIXQGGPJIUTOQ-CYBMUJFWSA-N 1 0 319.430 2.183 50 0 DEAARO CC(C)[C@@H]1C[N@H+](CCC(N)=O)CCCN1Cc1ccc(F)cc1 ZINC000071750360 191021652 /nfs/dbraw/zinc/02/16/52/191021652.db2.gz KQJTZFWWUVVRSG-KRWDZBQOSA-N 1 0 321.440 2.233 50 0 DEAARO Cc1cc(C)cc(OCCN(C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072120951 191040063 /nfs/dbraw/zinc/04/00/63/191040063.db2.gz SOYSUJSAJKVZKN-UHFFFAOYSA-N 1 0 314.433 2.114 50 0 DEAARO Cc1nc2c(cnn2C)c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000072145944 191053859 /nfs/dbraw/zinc/05/38/59/191053859.db2.gz DIKCEGZGEHTSOG-UHFFFAOYSA-N 1 0 322.416 2.142 50 0 DEAARO O=C(c1ccncc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072163696 191063608 /nfs/dbraw/zinc/06/36/08/191063608.db2.gz XFBUIGQMFIJDGW-IBGZPJMESA-N 1 0 321.424 2.397 50 0 DEAARO Nc1ccnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072166587 191067396 /nfs/dbraw/zinc/06/73/96/191067396.db2.gz HHKAGHGWNKICDV-KBAYOESNSA-N 1 0 321.428 2.125 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2sccc2Cl)CC1 ZINC000072173980 191070002 /nfs/dbraw/zinc/07/00/02/191070002.db2.gz BIFIHTVTYMXERG-AWEZNQCLSA-N 1 0 316.854 2.320 50 0 DEAARO Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)n2)cc1C ZINC000150693087 186057061 /nfs/dbraw/zinc/05/70/61/186057061.db2.gz FKDOJFDUTGLVRE-QWHCGFSZSA-N 1 0 317.414 2.088 50 0 DEAARO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000072281278 191101060 /nfs/dbraw/zinc/10/10/60/191101060.db2.gz OGQUVRYVOBYWMA-LSDHHAIUSA-N 1 0 308.809 2.011 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CCC[C@@H]3C[NH3+])c2)cc1 ZINC000237447602 186290657 /nfs/dbraw/zinc/29/06/57/186290657.db2.gz NRDXYGOJXZJWMG-MRXNPFEDSA-N 1 0 311.385 2.321 50 0 DEAARO CN1CC2(CC1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000072421383 191158719 /nfs/dbraw/zinc/15/87/19/191158719.db2.gz UIVPAKOTGRWLPF-UHFFFAOYSA-N 1 0 324.428 2.317 50 0 DEAARO O=C1CC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)CCN1 ZINC000072428611 191160733 /nfs/dbraw/zinc/16/07/33/191160733.db2.gz RBVXQTBPUOKHJZ-UHFFFAOYSA-N 1 0 310.357 2.145 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2ccccc2O)[NH+](C)C)cc1 ZINC000002657938 180945367 /nfs/dbraw/zinc/94/53/67/180945367.db2.gz QTTNRPRHBVSVQJ-INIZCTEOSA-N 1 0 314.385 2.434 50 0 DEAARO C[NH+](C)CC(C)(C)CNCC(=O)Nc1ccc(F)c(F)c1F ZINC000003310794 181002727 /nfs/dbraw/zinc/00/27/27/181002727.db2.gz JQDVQQOIWLVJRT-UHFFFAOYSA-N 1 0 317.355 2.220 50 0 DEAARO CCCCC[C@]1(C(=O)OCC)C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004117710 181075563 /nfs/dbraw/zinc/07/55/63/181075563.db2.gz ZZDUENIWLHLXCW-QMTHXVAHSA-N 1 0 316.423 2.058 50 0 DEAARO CC[NH+](CC)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc21 ZINC000004163502 181080095 /nfs/dbraw/zinc/08/00/95/181080095.db2.gz QRHBUWNRRJRRBN-UHFFFAOYSA-N 1 0 301.390 2.117 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000066137513 354701697 /nfs/dbraw/zinc/70/16/97/354701697.db2.gz BFBSVWFVMYAMTJ-LBPRGKRZSA-N 1 0 302.374 2.253 50 0 DEAARO O=C(N[C@H]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066193189 354703950 /nfs/dbraw/zinc/70/39/50/354703950.db2.gz XCCUYLVMAPLPBX-ZWKOTPCHSA-N 1 0 313.445 2.424 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)CSCC(=O)c2ccccc2)C1 ZINC000072273294 354900295 /nfs/dbraw/zinc/90/02/95/354900295.db2.gz IQPQGBIJHBNHKQ-CQSZACIVSA-N 1 0 320.458 2.061 50 0 DEAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000072298393 354900573 /nfs/dbraw/zinc/90/05/73/354900573.db2.gz KRHXPXDVGAZKHH-MRXNPFEDSA-N 1 0 312.417 2.430 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](c2nccs2)C2CC2)C1 ZINC000074709571 355044398 /nfs/dbraw/zinc/04/43/98/355044398.db2.gz WKRYOTDYUZXRSC-QWHCGFSZSA-N 1 0 308.451 2.330 50 0 DEAARO C[NH+](C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1 ZINC000074223808 355015765 /nfs/dbraw/zinc/01/57/65/355015765.db2.gz DBHUSDOUWUXPTA-UHFFFAOYSA-N 1 0 311.470 2.319 50 0 DEAARO C[C@H](CCc1cccn1C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000074745482 355046786 /nfs/dbraw/zinc/04/67/86/355046786.db2.gz OZTZLDJOKNJIJC-WBVHZDCISA-N 1 0 318.465 2.226 50 0 DEAARO CC(C)([NH2+]Cc1cnc2cnccn12)c1ccc2c(c1)OCO2 ZINC000075093178 355067519 /nfs/dbraw/zinc/06/75/19/355067519.db2.gz NPIVONIOKOSYBS-UHFFFAOYSA-N 1 0 310.357 2.483 50 0 DEAARO COc1cc(C[NH2+]CCn2cnnc2C)c(SC)cc1OC ZINC000076020705 355119766 /nfs/dbraw/zinc/11/97/66/355119766.db2.gz VUUCUWVGDBVTOC-UHFFFAOYSA-N 1 0 322.434 2.115 50 0 DEAARO C[C@@H](CCc1cccn1C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076088501 355125466 /nfs/dbraw/zinc/12/54/66/355125466.db2.gz ALAYQVRTZKSEKU-GOEBONIOSA-N 1 0 318.465 2.130 50 0 DEAARO CN1CCN(C2CC[NH+](CCCc3ccccc3)CC2)C1=O ZINC000075604093 355095832 /nfs/dbraw/zinc/09/58/32/355095832.db2.gz ACEDEGYBOBQOKY-UHFFFAOYSA-N 1 0 301.434 2.451 50 0 DEAARO CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCc3nncn3C2)s1 ZINC000075605500 355096047 /nfs/dbraw/zinc/09/60/47/355096047.db2.gz BWHFLEDXJVYZRD-LLVKDONJSA-N 1 0 305.451 2.384 50 0 DEAARO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)NCC1CCC1 ZINC000076108101 355126272 /nfs/dbraw/zinc/12/62/72/355126272.db2.gz CRKKRXWKDUHPPZ-ROUUACIJSA-N 1 0 316.445 2.491 50 0 DEAARO O=C1C[C@@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccccc1 ZINC000004954082 181178942 /nfs/dbraw/zinc/17/89/42/181178942.db2.gz BGXRJOULWFUOKW-MRXNPFEDSA-N 1 0 312.344 2.290 50 0 DEAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C2CCCCC2)s1 ZINC000077389641 191706918 /nfs/dbraw/zinc/70/69/18/191706918.db2.gz HXMWSSGONWQGFB-HIFRSBDPSA-N 1 0 321.490 2.443 50 0 DEAARO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCCSC1 ZINC000097370909 355703889 /nfs/dbraw/zinc/70/38/89/355703889.db2.gz BHCRBJTZUVZMFS-OCCSQVGLSA-N 1 0 303.431 2.270 50 0 DEAARO CC(C)CCC(=O)N1CCN(Cc2c[nH+]ccc2N(C)C)CC1 ZINC000097377023 355705243 /nfs/dbraw/zinc/70/52/43/355705243.db2.gz HLRWFLXKOCWALB-UHFFFAOYSA-N 1 0 318.465 2.228 50 0 DEAARO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 ZINC000097942774 355706459 /nfs/dbraw/zinc/70/64/59/355706459.db2.gz PQFZOQICRWDLIQ-OAHLLOKOSA-N 1 0 322.474 2.107 50 0 DEAARO COc1ccc(CN2CC[C@@](C)(O)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000097942684 355706710 /nfs/dbraw/zinc/70/67/10/355706710.db2.gz UWXIHRJVLAKXSH-QZTJIDSGSA-N 1 0 304.434 2.116 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000106661335 355723971 /nfs/dbraw/zinc/72/39/71/355723971.db2.gz ALSHSQZXEMQYNU-IAGOWNOFSA-N 1 0 318.417 2.403 50 0 DEAARO Cc1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C)c3cccnc3)C2)no1 ZINC000108087055 355731362 /nfs/dbraw/zinc/73/13/62/355731362.db2.gz XMEVWTMKYQGCME-DOMZBBRYSA-N 1 0 301.394 2.040 50 0 DEAARO COC[C@H]1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2 ZINC000169782274 355983175 /nfs/dbraw/zinc/98/31/75/355983175.db2.gz FWHCXJDTQWLJJV-CQSZACIVSA-N 1 0 322.836 2.428 50 0 DEAARO CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000195554556 356257222 /nfs/dbraw/zinc/25/72/22/356257222.db2.gz SMOXBLZBRCNAPH-AEFFLSMTSA-N 1 0 304.434 2.176 50 0 DEAARO C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O ZINC000221365530 356274335 /nfs/dbraw/zinc/27/43/35/356274335.db2.gz BHHOWADKIVUGPW-BHVCSQLQSA-N 1 0 318.483 2.133 50 0 DEAARO CCOc1ccc(NC(=S)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000005737055 181278583 /nfs/dbraw/zinc/27/85/83/181278583.db2.gz NSSPWOWNPJXOGY-OAHLLOKOSA-N 1 0 305.447 2.466 50 0 DEAARO C[C@@H]1[C@H](C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000585089754 540256098 /nfs/dbraw/zinc/25/60/98/540256098.db2.gz LZRKJUZVWREGRG-QGPMSJSTSA-N 1 0 302.418 2.101 50 0 DEAARO CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237094138 202152240 /nfs/dbraw/zinc/15/22/40/202152240.db2.gz JHHZACZWCCWOOZ-INIZCTEOSA-N 1 0 304.340 2.493 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000237143485 202165339 /nfs/dbraw/zinc/16/53/39/202165339.db2.gz HFPIGPNGCKOORJ-AWEZNQCLSA-N 1 0 312.373 2.093 50 0 DEAARO CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237246489 202203480 /nfs/dbraw/zinc/20/34/80/202203480.db2.gz JZDOOGNIWOZNGE-LBPRGKRZSA-N 1 0 315.186 2.299 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C(/C)Cc1ccccc1OC ZINC000237249763 202204613 /nfs/dbraw/zinc/20/46/13/202204613.db2.gz AJYYERCXWVFFRC-OBEJXRGXSA-N 1 0 302.418 2.394 50 0 DEAARO C[NH2+]CC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000237249277 202205526 /nfs/dbraw/zinc/20/55/26/202205526.db2.gz BWLOTGFIDFXPHO-UHFFFAOYSA-N 1 0 309.413 2.085 50 0 DEAARO Cc1ccccc1[C@H](Cn1cnc2cccnc2c1=O)[NH+](C)C ZINC000584895059 357328679 /nfs/dbraw/zinc/32/86/79/357328679.db2.gz KALMXHUHNKZVSQ-INIZCTEOSA-N 1 0 308.385 2.403 50 0 DEAARO C[NH+]1CCC(CNC(=O)C[C@@H]2CCOC2)(c2ccccc2)CC1 ZINC000584896552 357329838 /nfs/dbraw/zinc/32/98/38/357329838.db2.gz DZWHWTMBSFSRBG-INIZCTEOSA-N 1 0 316.445 2.193 50 0 DEAARO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657420828 540306224 /nfs/dbraw/zinc/30/62/24/540306224.db2.gz BEZJRCIGYKHJHX-NWDGAFQWSA-N 1 0 316.323 2.431 50 0 DEAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000097113852 283348001 /nfs/dbraw/zinc/34/80/01/283348001.db2.gz CUFNXQQOWWDVNO-GXSJLCMTSA-N 1 0 301.312 2.234 50 0 DEAARO C[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)[C@@H]1C[NH3+] ZINC000237658621 202320180 /nfs/dbraw/zinc/32/01/80/202320180.db2.gz MGDMHOGPHQAMNG-BLLLJJGKSA-N 1 0 316.380 2.211 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCCC[C@@H]3C[NH3+])nc21 ZINC000237734599 202342123 /nfs/dbraw/zinc/34/21/23/202342123.db2.gz KQDQEHZYQZWNTF-CYBMUJFWSA-N 1 0 300.406 2.144 50 0 DEAARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2cnccc21 ZINC000097009243 283503443 /nfs/dbraw/zinc/50/34/43/283503443.db2.gz VDVCHSVGABMNFD-DOMZBBRYSA-N 1 0 319.430 2.031 50 0 DEAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@H](c2ccccc2F)C1 ZINC000237876997 202377644 /nfs/dbraw/zinc/37/76/44/202377644.db2.gz LHKHPLBTRWRCDN-HOCLYGCPSA-N 1 0 318.392 2.115 50 0 DEAARO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C(=O)N1CCOCC1 ZINC000189376341 200389619 /nfs/dbraw/zinc/38/96/19/200389619.db2.gz UBWHVXUSJPQVID-CQSZACIVSA-N 1 0 314.788 2.206 50 0 DEAARO CN(CCS(=O)(=O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000670428830 540932757 /nfs/dbraw/zinc/93/27/57/540932757.db2.gz OZXCEIHOILLTQM-HNNXBMFYSA-N 1 0 324.490 2.122 50 0 DEAARO O=c1cc([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)nc[nH]1 ZINC000670437276 540933063 /nfs/dbraw/zinc/93/30/63/540933063.db2.gz RKMHULOFTJZDAR-LLVKDONJSA-N 1 0 311.476 2.210 50 0 DEAARO Cc1ccc([C@H](Cn2cnc3cnccc3c2=O)[NH+](C)C)cc1 ZINC000670441968 540934131 /nfs/dbraw/zinc/93/41/31/540934131.db2.gz QRAYSNWIGQSHFX-KRWDZBQOSA-N 1 0 308.385 2.403 50 0 DEAARO CC[NH+](CC)CC[C@H](CO)NC/C=C\c1ccccc1OC ZINC000606444637 361008211 /nfs/dbraw/zinc/00/82/11/361008211.db2.gz RVUPPZKUEMPUIG-SECOEOQKSA-N 1 0 306.450 2.391 50 0 DEAARO O=C(/C=C\c1ccc2c(c1)CCO2)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000606445876 361009467 /nfs/dbraw/zinc/00/94/67/361009467.db2.gz NVKHFNOKJFNQJR-NTLBYLRVSA-N 1 0 312.413 2.378 50 0 DEAARO Cc1cc(Cl)ccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670457441 540936172 /nfs/dbraw/zinc/93/61/72/540936172.db2.gz UCFAUSRXPOUSHX-CQSZACIVSA-N 1 0 310.825 2.225 50 0 DEAARO COc1ccc(OCC2CC[NH+](CCn3cnnc3)CC2)cc1 ZINC000670460401 540936803 /nfs/dbraw/zinc/93/68/03/540936803.db2.gz SOCRRWKAWZIAAX-UHFFFAOYSA-N 1 0 316.405 2.078 50 0 DEAARO C[N@H+](CC1(C)COC1)[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000670462756 540937708 /nfs/dbraw/zinc/93/77/08/540937708.db2.gz IQYAWDIVFTZPTQ-MRXNPFEDSA-N 1 0 302.418 2.146 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000262088737 296028125 /nfs/dbraw/zinc/02/81/25/296028125.db2.gz HUKNBFBIFWFDSQ-IUODEOHRSA-N 1 0 319.430 2.125 50 0 DEAARO C[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000194197809 201195626 /nfs/dbraw/zinc/19/56/26/201195626.db2.gz XXTXUOVWLGEFSG-LBPRGKRZSA-N 1 0 315.421 2.178 50 0 DEAARO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCc2nc(COC)nn2C1 ZINC000527677036 283688615 /nfs/dbraw/zinc/68/86/15/283688615.db2.gz XRQJJCCPZFZVKF-NSHDSACASA-N 1 0 316.396 2.400 50 0 DEAARO CC(C)(C)NC(=O)CC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000244899307 202508371 /nfs/dbraw/zinc/50/83/71/202508371.db2.gz ZHMYHYSHFIIREH-UHFFFAOYSA-N 1 0 300.406 2.267 50 0 DEAARO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1F ZINC000195553562 201408226 /nfs/dbraw/zinc/40/82/26/201408226.db2.gz SZYVYLSRIOGDGH-KRWDZBQOSA-N 1 0 321.440 2.419 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNc2c(=O)c(=O)c2-c2ccccc2)C1 ZINC000006749170 181382571 /nfs/dbraw/zinc/38/25/71/181382571.db2.gz WRVQROGFYRHGGN-AWEZNQCLSA-N 1 0 312.413 2.484 50 0 DEAARO COc1ccccc1OC1CN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000091381781 193048647 /nfs/dbraw/zinc/04/86/47/193048647.db2.gz YTNXJBLQDOCSNN-UHFFFAOYSA-N 1 0 318.417 2.159 50 0 DEAARO Cc1nccn1CCC[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091548800 193072395 /nfs/dbraw/zinc/07/23/95/193072395.db2.gz OWEWKWSABDCJCW-ZWKOTPCHSA-N 1 0 302.466 2.388 50 0 DEAARO Cc1nc(C)c(CC(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)s1 ZINC000091656880 193085867 /nfs/dbraw/zinc/08/58/67/193085867.db2.gz XRVBMQDHIZHVIL-CABCVRRESA-N 1 0 315.442 2.256 50 0 DEAARO CC(C)CN1CC2(CC1=O)CC[NH+](CCCn1ccnc1)CC2 ZINC000091915027 193126306 /nfs/dbraw/zinc/12/63/06/193126306.db2.gz TVXJWZMKWJHWRE-UHFFFAOYSA-N 1 0 318.465 2.244 50 0 DEAARO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC[C@]1(C)O ZINC000092065426 193150883 /nfs/dbraw/zinc/15/08/83/193150883.db2.gz OLQXNBGNKYBJNC-DYVFJYSZSA-N 1 0 324.852 2.092 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N(CCCO)Cc2ccc(Cl)cc2)C1 ZINC000215341153 201458509 /nfs/dbraw/zinc/45/85/09/201458509.db2.gz OQZBGJWIYQILGC-DZGCQCFKSA-N 1 0 310.825 2.178 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093017967 193194430 /nfs/dbraw/zinc/19/44/30/193194430.db2.gz GUPHPDRTRSRTRC-KRWDZBQOSA-N 1 0 304.434 2.239 50 0 DEAARO COc1ccnc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000095959987 193459196 /nfs/dbraw/zinc/45/91/96/193459196.db2.gz XATWPEIMFJWCOU-UHFFFAOYSA-N 1 0 317.433 2.475 50 0 DEAARO O=C(NCC1(CO)CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000096447324 193650621 /nfs/dbraw/zinc/65/06/21/193650621.db2.gz ALLFQNWKKHKNQI-UHFFFAOYSA-N 1 0 323.481 2.103 50 0 DEAARO C[N@H+](C1Cc2ccccc2C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000264681459 204075792 /nfs/dbraw/zinc/07/57/92/204075792.db2.gz CWMCLRWNSREKHW-AWEZNQCLSA-N 1 0 312.335 2.249 50 0 DEAARO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CCOCC1 ZINC000011663365 181697700 /nfs/dbraw/zinc/69/77/00/181697700.db2.gz PUYCWQSCLQUIKL-UHFFFAOYSA-N 1 0 315.373 2.416 50 0 DEAARO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000016684934 182057635 /nfs/dbraw/zinc/05/76/35/182057635.db2.gz XXXMXPAMCQPJRL-CQSZACIVSA-N 1 0 320.433 2.094 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000019790342 182149263 /nfs/dbraw/zinc/14/92/63/182149263.db2.gz HRXAKXDRGQGSRX-KRWDZBQOSA-N 1 0 320.477 2.496 50 0 DEAARO [NH3+]CCNCCOCCOc1ccccc1-c1ccccc1 ZINC000020118002 182188330 /nfs/dbraw/zinc/18/83/30/182188330.db2.gz DGILXTSWWKXSLK-UHFFFAOYSA-N 1 0 300.402 2.297 50 0 DEAARO O=C1OCC[C@@H]1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021312579 182271283 /nfs/dbraw/zinc/27/12/83/182271283.db2.gz KAPGDWJIVQVQPJ-SFHVURJKSA-N 1 0 310.397 2.273 50 0 DEAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000022846399 182337141 /nfs/dbraw/zinc/33/71/41/182337141.db2.gz FLNZFTMBMOUIAP-GOSISDBHSA-N 1 0 321.440 2.277 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)Nc1nnc(C(F)(F)F)s1 ZINC000023337466 182357245 /nfs/dbraw/zinc/35/72/45/182357245.db2.gz MUHQBSYMJRWMMK-UHFFFAOYSA-N 1 0 323.344 2.164 50 0 DEAARO CC[C@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000040115244 183036904 /nfs/dbraw/zinc/03/69/04/183036904.db2.gz NRYPCAQTDPUNIV-INIZCTEOSA-N 1 0 317.477 2.486 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccccc1Br ZINC000493267605 249265571 /nfs/dbraw/zinc/26/55/71/249265571.db2.gz OHQLIGZPVBOMDZ-QDZRJHCZSA-N 1 0 309.207 2.412 50 0 DEAARO Cc1cnc(C)c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000273906991 211161821 /nfs/dbraw/zinc/16/18/21/211161821.db2.gz WXDZCLIZMZUONL-KRWDZBQOSA-N 1 0 312.417 2.272 50 0 DEAARO C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000047920294 183609244 /nfs/dbraw/zinc/60/92/44/183609244.db2.gz LBCLRYDSBLRYHG-CQSZACIVSA-N 1 0 314.433 2.344 50 0 DEAARO COCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000110630292 194343455 /nfs/dbraw/zinc/34/34/55/194343455.db2.gz FDNNWAVCEORMKI-JSGCOSHPSA-N 1 0 311.451 2.077 50 0 DEAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cccn2)c1 ZINC000110641262 194344614 /nfs/dbraw/zinc/34/46/14/194344614.db2.gz BAMBIHYUISBANT-QZTJIDSGSA-N 1 0 314.433 2.147 50 0 DEAARO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc[nH]3)[C@@H](C)C2)s1 ZINC000110613300 194343092 /nfs/dbraw/zinc/34/30/92/194343092.db2.gz OPCZXMNOTIFGFJ-FZMZJTMJSA-N 1 0 318.446 2.420 50 0 DEAARO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000110665317 194348346 /nfs/dbraw/zinc/34/83/46/194348346.db2.gz HOZQWXDDILSELI-DYVFJYSZSA-N 1 0 312.417 2.359 50 0 DEAARO CC[NH+]1CCC(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000057000703 184024155 /nfs/dbraw/zinc/02/41/55/184024155.db2.gz VCVRFIIMJKWZNI-SUMWQHHRSA-N 1 0 318.417 2.063 50 0 DEAARO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000057352203 184034946 /nfs/dbraw/zinc/03/49/46/184034946.db2.gz SJHWSBCDIVVSIS-OLZOCXBDSA-N 1 0 317.433 2.450 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000058357373 184108837 /nfs/dbraw/zinc/10/88/37/184108837.db2.gz APMDKQHNAVJAAO-INIZCTEOSA-N 1 0 302.418 2.325 50 0 DEAARO COC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058358030 184108967 /nfs/dbraw/zinc/10/89/67/184108967.db2.gz VFXLOAIFJBRIRP-HIFRSBDPSA-N 1 0 308.397 2.189 50 0 DEAARO O=C(NC1CC1)C1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000058378232 184109954 /nfs/dbraw/zinc/10/99/54/184109954.db2.gz OAHVXTBSEMADKS-UHFFFAOYSA-N 1 0 324.428 2.498 50 0 DEAARO CN(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C1CCCCC1 ZINC000058246120 184094515 /nfs/dbraw/zinc/09/45/15/184094515.db2.gz SECMKAHECMYIGY-UHFFFAOYSA-N 1 0 304.438 2.380 50 0 DEAARO C[C@@H](CNC(=O)Cc1cn2ccsc2n1)[NH+]1CCC(C)CC1 ZINC000058283734 184100418 /nfs/dbraw/zinc/10/04/18/184100418.db2.gz YKXKFDICHKAAIM-ZDUSSCGKSA-N 1 0 320.462 2.175 50 0 DEAARO CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(N)=O ZINC000058293704 184102131 /nfs/dbraw/zinc/10/21/31/184102131.db2.gz OSUQXBFECCLDJE-OAHLLOKOSA-N 1 0 305.422 2.497 50 0 DEAARO COc1ccc(OC)c([C@@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000058413938 184114651 /nfs/dbraw/zinc/11/46/51/184114651.db2.gz FECKWOCJKGIMII-GUYCJALGSA-N 1 0 321.417 2.238 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)COc1cccc(F)c1 ZINC000058412730 184114668 /nfs/dbraw/zinc/11/46/68/184114668.db2.gz FFVASOLULWLDLG-GFCCVEGCSA-N 1 0 320.412 2.491 50 0 DEAARO COc1c(C[NH2+][C@@H](C)COc2ccccc2OC)c(C)nn1C ZINC000058420549 184115955 /nfs/dbraw/zinc/11/59/55/184115955.db2.gz KZVZEHVMNSDSOK-LBPRGKRZSA-N 1 0 319.405 2.303 50 0 DEAARO COc1ccc(OCCCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000061031769 184160230 /nfs/dbraw/zinc/16/02/30/184160230.db2.gz URESEYMZJUVVSR-UHFFFAOYSA-N 1 0 306.406 2.065 50 0 DEAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCO2 ZINC000062001529 184200498 /nfs/dbraw/zinc/20/04/98/184200498.db2.gz HIVLLLMSCJPNTB-AEFFLSMTSA-N 1 0 308.337 2.340 50 0 biogenic DEAARO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000269080732 207226471 /nfs/dbraw/zinc/22/64/71/207226471.db2.gz HUTWYHWHAIAUNI-DLBZAZTESA-N 1 0 302.418 2.101 50 0 DEAARO [NH3+]Cc1nnn(-c2cccc(F)c2)c1-c1ccc2c(c1)OCO2 ZINC000062239989 184224900 /nfs/dbraw/zinc/22/49/00/184224900.db2.gz OMWIMVKREMZACJ-UHFFFAOYSA-N 1 0 312.304 2.261 50 0 DEAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(CC3CCCCC3)C2)cn1 ZINC000064043959 184291940 /nfs/dbraw/zinc/29/19/40/184291940.db2.gz XICYXRSAQPBRCL-INIZCTEOSA-N 1 0 302.422 2.056 50 0 DEAARO O=C(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1)Nc1cccnc1 ZINC000065394814 184334925 /nfs/dbraw/zinc/33/49/25/184334925.db2.gz VLANEXHJJKIELP-GOSISDBHSA-N 1 0 324.428 2.274 50 0 DEAARO CCc1c(C)nn(CCNC(=O)C2CC[NH+](C(C)C)CC2)c1C ZINC000065374920 184331198 /nfs/dbraw/zinc/33/11/98/184331198.db2.gz YJJACYKYNHYHMU-UHFFFAOYSA-N 1 0 320.481 2.299 50 0 DEAARO CCCCOc1ccc([C@H]2[NH2+][C@@](C)(CO)[C@H]3CN(C)C[C@H]32)cc1 ZINC000065408979 184339086 /nfs/dbraw/zinc/33/90/86/184339086.db2.gz NHSRHWSPDUEEBL-HCXYKTFWSA-N 1 0 318.461 2.439 50 0 DEAARO CC(C)Cc1noc([C@@H]2CCC[N@H+](Cc3cnc(N)nc3)C2)n1 ZINC000065530174 184361228 /nfs/dbraw/zinc/36/12/28/184361228.db2.gz HWUAYBUTWVGZBO-CYBMUJFWSA-N 1 0 316.409 2.020 50 0 DEAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000065595141 184370944 /nfs/dbraw/zinc/37/09/44/184370944.db2.gz ZJFAGYDJXSFFSU-INIZCTEOSA-N 1 0 315.417 2.337 50 0 DEAARO CCc1nnc(CNC(=O)[C@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000065499055 184355642 /nfs/dbraw/zinc/35/56/42/184355642.db2.gz YWTHFFYOLNOJQS-ZDUSSCGKSA-N 1 0 320.437 2.293 50 0 DEAARO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)n1ccnc1 ZINC000065939247 184383450 /nfs/dbraw/zinc/38/34/50/184383450.db2.gz AOCSEKCUCABIMM-AWEZNQCLSA-N 1 0 318.396 2.174 50 0 DEAARO Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccn1 ZINC000119911247 195059815 /nfs/dbraw/zinc/05/98/15/195059815.db2.gz BNLCVDVVCBMXAQ-CQSZACIVSA-N 1 0 318.421 2.012 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000299739268 533084502 /nfs/dbraw/zinc/08/45/02/533084502.db2.gz MRJGRUYYQNRDKO-CSMYWGQOSA-N 1 0 318.417 2.147 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158330642 197263346 /nfs/dbraw/zinc/26/33/46/197263346.db2.gz WPZUTYYSPMQEKC-YBJDMEARSA-N 1 0 324.856 2.464 50 0 DEAARO Cc1cc(C)nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000096484308 291876204 /nfs/dbraw/zinc/87/62/04/291876204.db2.gz HNDQIBRRLBJISV-MRXNPFEDSA-N 1 0 304.438 2.175 50 0 DEAARO CC(C)CCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072408350 257270923 /nfs/dbraw/zinc/27/09/23/257270923.db2.gz QZDUUSZZLUMRLE-HNNXBMFYSA-N 1 0 310.438 2.498 50 0 DEAARO CC(=O)O[C@@H](c1nc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000071790443 184841779 /nfs/dbraw/zinc/84/17/79/184841779.db2.gz DTIFIXAOCRLHHS-CQSZACIVSA-N 1 0 301.346 2.189 50 0 DEAARO CCn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cn1 ZINC000121765818 195343373 /nfs/dbraw/zinc/34/33/73/195343373.db2.gz CCONHHGSBLVRJS-HNNXBMFYSA-N 1 0 310.405 2.325 50 0 DEAARO O=C(CCc1cnn(-c2ccccc2)c1)N[C@H]1C[NH+]2CCC1CC2 ZINC000685939584 542767983 /nfs/dbraw/zinc/76/79/83/542767983.db2.gz YWICKEYWECPWNB-SFHVURJKSA-N 1 0 324.428 2.015 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCCSC1 ZINC000685943803 542768713 /nfs/dbraw/zinc/76/87/13/542768713.db2.gz WXIBGXQORKHYDG-NCOADZHNSA-N 1 0 316.470 2.376 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([NH2+]CCn3cccn3)[C@@H]21 ZINC000685940535 542769186 /nfs/dbraw/zinc/76/91/86/542769186.db2.gz NMZKKVUJNMFDNY-SOUVJXGZSA-N 1 0 320.437 2.261 50 0 DEAARO C[NH+]1CCC(CC(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000368169340 133263153 /nfs/dbraw/zinc/26/31/53/133263153.db2.gz XUTGXAHDMQIHIE-LJQANCHMSA-N 1 0 314.429 2.376 50 0 DEAARO COc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc12 ZINC000368376035 133270903 /nfs/dbraw/zinc/27/09/03/133270903.db2.gz KQOXZFJBOYMQBL-RYUDHWBXSA-N 1 0 302.349 2.278 50 0 DEAARO CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)n2)cc1 ZINC000377154151 133320338 /nfs/dbraw/zinc/32/03/38/133320338.db2.gz XPRBXRSYJSSOFQ-STQMWFEESA-N 1 0 317.414 2.034 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccs1 ZINC000193184498 145083463 /nfs/dbraw/zinc/08/34/63/145083463.db2.gz DOBAASBEIWFYPI-SFYZADRCSA-N 1 0 323.340 2.175 50 0 DEAARO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)Cn1cccn1)CCC2 ZINC000248197917 145150402 /nfs/dbraw/zinc/15/04/02/145150402.db2.gz MEQQEWTYNBJEIR-TZMCWYRMSA-N 1 0 320.462 2.272 50 0 DEAARO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000007587629 401741390 /nfs/dbraw/zinc/74/13/90/401741390.db2.gz BAEFTPSDUJJLBA-AAEUAGOBSA-N 1 0 321.446 2.440 50 0 DEAARO Cc1csc2nc(C[NH2+][C@H](C)[C@H](C)n3cccn3)cc(=O)n12 ZINC000071882109 401691821 /nfs/dbraw/zinc/69/18/21/401691821.db2.gz LOGJGISSRKODDE-NEPJUHHUSA-N 1 0 317.418 2.000 50 0 DEAARO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000071902650 401695026 /nfs/dbraw/zinc/69/50/26/401695026.db2.gz QJZQOTDLSLXEFI-MRXNPFEDSA-N 1 0 310.463 2.399 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000071903975 401695051 /nfs/dbraw/zinc/69/50/51/401695051.db2.gz ODCRKHCJLHUHCQ-QZTJIDSGSA-N 1 0 324.428 2.171 50 0 DEAARO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)s1 ZINC000071908332 401695488 /nfs/dbraw/zinc/69/54/88/401695488.db2.gz VMINVKPSWRFAOL-AWEZNQCLSA-N 1 0 308.447 2.442 50 0 DEAARO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000072269146 401705094 /nfs/dbraw/zinc/70/50/94/401705094.db2.gz XENJAMUDHZGBDS-IAGOWNOFSA-N 1 0 316.445 2.022 50 0 DEAARO Cc1nnc(-c2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)o1 ZINC000072309740 401708092 /nfs/dbraw/zinc/70/80/92/401708092.db2.gz GRAIIAXDUWDKPC-UHFFFAOYSA-N 1 0 315.377 2.261 50 0 DEAARO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[NH2+]CCO2)n1 ZINC000072343420 401709337 /nfs/dbraw/zinc/70/93/37/401709337.db2.gz GIIJFVOKZHIBEA-CQSZACIVSA-N 1 0 302.353 2.010 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000014110347 401806991 /nfs/dbraw/zinc/80/69/91/401806991.db2.gz AORKHEVBTUITDH-OKILXGFUSA-N 1 0 317.433 2.411 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(CCCc2nc3ccccc3o2)C[C@H]1C ZINC000075129367 401750685 /nfs/dbraw/zinc/75/06/85/401750685.db2.gz RLBLIDKWVLZHFO-HUUCEWRRSA-N 1 0 317.433 2.147 50 0 DEAARO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CCCO1 ZINC000075603731 401764229 /nfs/dbraw/zinc/76/42/29/401764229.db2.gz NVIGZZYRBSCWAG-CABCVRRESA-N 1 0 310.463 2.232 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2=O)cc1 ZINC000075626501 401764662 /nfs/dbraw/zinc/76/46/62/401764662.db2.gz ICWIWDULNQYTJU-QGZVFWFLSA-N 1 0 302.418 2.195 50 0 DEAARO CCC[N@H+](C[C@H](O)COc1ccc(C(=O)OC)cc1)CC1CC1 ZINC000009863804 401766327 /nfs/dbraw/zinc/76/63/27/401766327.db2.gz UOZMCRBOZGDPQA-INIZCTEOSA-N 1 0 321.417 2.335 50 0 DEAARO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339972 401769865 /nfs/dbraw/zinc/76/98/65/401769865.db2.gz OROMOKQPKSCGQG-OAHLLOKOSA-N 1 0 303.406 2.305 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH+]1CCCCCCC1 ZINC000012030286 401778898 /nfs/dbraw/zinc/77/88/98/401778898.db2.gz LCWNFLGQFHPZJZ-SFHVURJKSA-N 1 0 308.466 2.406 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196090 401781042 /nfs/dbraw/zinc/78/10/42/401781042.db2.gz LVXMKALEQAKVQE-OAHLLOKOSA-N 1 0 312.369 2.448 50 0 DEAARO COc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1OC ZINC000012382540 401784708 /nfs/dbraw/zinc/78/47/08/401784708.db2.gz XSPGUHHIDINYQI-UHFFFAOYSA-N 1 0 306.406 2.306 50 0 DEAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000012420196 401785564 /nfs/dbraw/zinc/78/55/64/401785564.db2.gz KUXJXFXMNAWWOU-MRXNPFEDSA-N 1 0 323.433 2.313 50 0 DEAARO COc1ccc(OC)c(COC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000012420200 401785982 /nfs/dbraw/zinc/78/59/82/401785982.db2.gz YIDIYJZNRWHQRF-GOEBONIOSA-N 1 0 323.433 2.456 50 0 DEAARO OCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012997876 401794641 /nfs/dbraw/zinc/79/46/41/401794641.db2.gz IPDROIYPLAPNBO-UHFFFAOYSA-N 1 0 308.385 2.406 50 0 DEAARO C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000023195647 401828037 /nfs/dbraw/zinc/82/80/37/401828037.db2.gz SSVWCWUYDSPCGC-UHFFFAOYSA-N 1 0 313.401 2.485 50 0 DEAARO CCOCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077428000 401815082 /nfs/dbraw/zinc/81/50/82/401815082.db2.gz FBOBQAXUUZFWRL-DLBZAZTESA-N 1 0 304.434 2.278 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1CCc1ccc(F)cc1 ZINC000015075126 401815656 /nfs/dbraw/zinc/81/56/56/401815656.db2.gz HVESOOIAPUYBOS-MRXNPFEDSA-N 1 0 322.449 2.454 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2ccc(C)nc2)[NH+](C)C)cc1 ZINC000032201426 401876846 /nfs/dbraw/zinc/87/68/46/401876846.db2.gz HJMSACQPHJDCSS-KRWDZBQOSA-N 1 0 313.401 2.431 50 0 DEAARO CC[C@H](CNC(=O)[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000032817242 401883774 /nfs/dbraw/zinc/88/37/74/401883774.db2.gz YXJQMONNZFKGNR-IAGOWNOFSA-N 1 0 302.418 2.119 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000032863584 401884667 /nfs/dbraw/zinc/88/46/67/401884667.db2.gz SEFHCOVHWHXPFH-KRWDZBQOSA-N 1 0 319.449 2.151 50 0 DEAARO CC1(C)CCCC[C@@H]1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000133453909 401887083 /nfs/dbraw/zinc/88/70/83/401887083.db2.gz LIEYIXCYAMOMLF-MRXNPFEDSA-N 1 0 310.482 2.413 50 0 DEAARO CN(CC[NH+](C)C)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000083058586 401899861 /nfs/dbraw/zinc/89/98/61/401899861.db2.gz CUOTVJFKCRUEGT-UHFFFAOYSA-N 1 0 317.355 2.451 50 0 DEAARO c1nc2ccccn2c1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082092563 401899995 /nfs/dbraw/zinc/89/99/95/401899995.db2.gz ZKRJYPXKKVZHEF-HNNXBMFYSA-N 1 0 315.417 2.195 50 0 DEAARO COc1ccc2ccccc2c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000037116661 401910639 /nfs/dbraw/zinc/91/06/39/401910639.db2.gz SFAIIWLYTVQTCB-ZDUSSCGKSA-N 1 0 305.399 2.125 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc2c1OCCCO2 ZINC000134670830 401910652 /nfs/dbraw/zinc/91/06/52/401910652.db2.gz ODUAPAHQXBSQTK-OAHLLOKOSA-N 1 0 318.417 2.339 50 0 DEAARO C[C@H](C(=O)N1CCOCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547717 401914812 /nfs/dbraw/zinc/91/48/12/401914812.db2.gz AFNHYTROSHCHHP-MRXNPFEDSA-N 1 0 316.445 2.188 50 0 DEAARO COC(=O)C[C@@H]1CN(c2cc[nH+]c3c(C)cccc23)CCO1 ZINC000089689028 401957408 /nfs/dbraw/zinc/95/74/08/401957408.db2.gz WRIQFSCIRVOUQR-CYBMUJFWSA-N 1 0 300.358 2.312 50 0 DEAARO COC[C@H](O)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089703420 401958087 /nfs/dbraw/zinc/95/80/87/401958087.db2.gz WPJPAAVSXQFAEZ-PELKAZGASA-N 1 0 318.186 2.172 50 0 DEAARO COc1ccc(CCN2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000089888541 401970211 /nfs/dbraw/zinc/97/02/11/401970211.db2.gz MKBIIAGOBMBNHS-RTBURBONSA-N 1 0 318.461 2.159 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCO1)Cc1ccccc1 ZINC000047508371 401983312 /nfs/dbraw/zinc/98/33/12/401983312.db2.gz XMXFYRHXZPKAIO-IAGOWNOFSA-N 1 0 304.434 2.235 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCO1)Cc1ccccc1 ZINC000047508368 401983386 /nfs/dbraw/zinc/98/33/86/401983386.db2.gz XMXFYRHXZPKAIO-IRXDYDNUSA-N 1 0 304.434 2.235 50 0 DEAARO COC[C@@H](C)[NH+]1CCN(CCN2CCCc3ccccc32)CC1 ZINC000090554449 401984964 /nfs/dbraw/zinc/98/49/64/401984964.db2.gz NZBLFUWCFMGVJM-QGZVFWFLSA-N 1 0 317.477 2.092 50 0 DEAARO CCc1nc(C)c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)s1 ZINC000090882207 401988337 /nfs/dbraw/zinc/98/83/37/401988337.db2.gz VOKDMGVQPSKNQE-SNVBAGLBSA-N 1 0 316.492 2.489 50 0 DEAARO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(Cn3ccnn3)CC2)o1 ZINC000089264153 401940416 /nfs/dbraw/zinc/94/04/16/401940416.db2.gz HBJQYRPJIMGOEY-GFCCVEGCSA-N 1 0 318.377 2.131 50 0 DEAARO CC(C)[C@H](CNc1ncnc2ccccc21)[NH+]1CCN(C)CC1 ZINC000044406529 401942218 /nfs/dbraw/zinc/94/22/18/401942218.db2.gz CDWDQDMWNBWORC-KRWDZBQOSA-N 1 0 313.449 2.314 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 ZINC000089314055 401942375 /nfs/dbraw/zinc/94/23/75/401942375.db2.gz HXWZZQSFMKKUMR-CQSZACIVSA-N 1 0 311.376 2.243 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1sccc1C)C2 ZINC000095353189 402026223 /nfs/dbraw/zinc/02/62/23/402026223.db2.gz UROJRMQXKWNEIW-ZIAGYGMSSA-N 1 0 308.447 2.239 50 0 DEAARO CN(Cc1noc(C2CCC2)n1)c1nc(N)[nH+]c2c1CCCC2 ZINC000095355458 402027037 /nfs/dbraw/zinc/02/70/37/402027037.db2.gz DOSQNZNJBMPRQV-UHFFFAOYSA-N 1 0 314.393 2.225 50 0 DEAARO Cc1noc(C)c1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000095359385 402027848 /nfs/dbraw/zinc/02/78/48/402027848.db2.gz ZCOHRWABYLEOMK-UHFFFAOYSA-N 1 0 307.438 2.461 50 0 DEAARO O=C(NCCn1cccc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095358967 402027865 /nfs/dbraw/zinc/02/78/65/402027865.db2.gz DERWCZPNXUEDKJ-UHFFFAOYSA-N 1 0 301.390 2.110 50 0 DEAARO CC[N@@H+]1CC[C@H](Cn2ccc3c(ccc(OC)c3OC)c2=O)C1 ZINC000095370535 402029351 /nfs/dbraw/zinc/02/93/51/402029351.db2.gz RJKSMMZDSFUOJH-ZDUSSCGKSA-N 1 0 316.401 2.361 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@@H](O)c2ccc(O)cc2)CC1 ZINC000095370837 402029354 /nfs/dbraw/zinc/02/93/54/402029354.db2.gz RFELTMZRABVMEQ-QGZVFWFLSA-N 1 0 320.433 2.054 50 0 DEAARO C[NH+](C)CCN1CCCN(c2ccnc3ccsc32)CC1 ZINC000095403192 402031830 /nfs/dbraw/zinc/03/18/30/402031830.db2.gz QJSNQTMAAUGWHN-UHFFFAOYSA-N 1 0 304.463 2.370 50 0 DEAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1=O ZINC000095968167 402038689 /nfs/dbraw/zinc/03/86/89/402038689.db2.gz QWZJWVIAXGSTMV-CHWSQXEVSA-N 1 0 306.431 2.286 50 0 DEAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000095972688 402039105 /nfs/dbraw/zinc/03/91/05/402039105.db2.gz KZNICRHYGRPNPP-KBPBESRZSA-N 1 0 321.446 2.228 50 0 DEAARO OC1(C[NH+](Cc2ccncc2)CC2(O)CCCC2)CCCC1 ZINC000095972554 402039194 /nfs/dbraw/zinc/03/91/94/402039194.db2.gz PPUTZJSBYKWRAK-UHFFFAOYSA-N 1 0 304.434 2.494 50 0 DEAARO C[N@H+](C[C@H](O)c1ccc(F)cc1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000095987243 402043158 /nfs/dbraw/zinc/04/31/58/402043158.db2.gz SZCOEVZDTCITKO-SQNIBIBYSA-N 1 0 301.361 2.449 50 0 DEAARO CC(C)[N@@H+]1CCc2c(nc3cc([C@H]4CCCC[NH2+]4)[n-]n3c2=O)C1 ZINC000048623046 402004280 /nfs/dbraw/zinc/00/42/80/402004280.db2.gz FYVRRBFEMDYUKR-CYBMUJFWSA-N 1 0 315.421 2.016 50 0 DEAARO CN(C(=O)/C=C\c1ccc2c(c1)CCO2)C1CC[NH+](C)CC1 ZINC000096405174 402078093 /nfs/dbraw/zinc/07/80/93/402078093.db2.gz LNFFTOLZKNWTJB-XQRVVYSFSA-N 1 0 300.402 2.187 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccnc1 ZINC000096427100 402084029 /nfs/dbraw/zinc/08/40/29/402084029.db2.gz WLMQXNKCJKIZCO-UHFFFAOYSA-N 1 0 310.401 2.232 50 0 DEAARO CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096428260 402084788 /nfs/dbraw/zinc/08/47/88/402084788.db2.gz XTDLBJBUBDSQDX-OCCSQVGLSA-N 1 0 316.492 2.460 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000122578178 402084934 /nfs/dbraw/zinc/08/49/34/402084934.db2.gz LKRVIDVFSVQOPS-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO CCC[NH+]1CCC(NC(=O)Nc2nc3c(s2)COCC3)CC1 ZINC000096434989 402086354 /nfs/dbraw/zinc/08/63/54/402086354.db2.gz ADJFEDGNIBAWJH-UHFFFAOYSA-N 1 0 324.450 2.212 50 0 DEAARO COc1ccc2cccc(NC(=O)N3CCC[N@H+](C)CC3)c2n1 ZINC000096499977 402096929 /nfs/dbraw/zinc/09/69/29/402096929.db2.gz VXKHVKCKKDJLSP-UHFFFAOYSA-N 1 0 314.389 2.413 50 0 DEAARO CO[C@H](C[NH2+]C[C@@H]1CNc2cc(C)nn2C1)c1ccccc1 ZINC000058294369 402099870 /nfs/dbraw/zinc/09/98/70/402099870.db2.gz SHHSCVDUDCPEIY-GDBMZVCRSA-N 1 0 300.406 2.211 50 0 DEAARO CCOC(=O)c1ccc(C[NH2+][C@@H]2CCc3nc(C)cn3C2)o1 ZINC000097034403 402100777 /nfs/dbraw/zinc/10/07/77/402100777.db2.gz FVGBXYIRKZGVEQ-GFCCVEGCSA-N 1 0 303.362 2.066 50 0 DEAARO COc1c(C[NH2+]C2CCN(c3ccccc3)CC2)c(C)nn1C ZINC000058428059 402101035 /nfs/dbraw/zinc/10/10/35/402101035.db2.gz MREKACRQBYKKLC-UHFFFAOYSA-N 1 0 314.433 2.496 50 0 DEAARO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Cl)c(C)c2)CC1 ZINC000097057408 402104051 /nfs/dbraw/zinc/10/40/51/402104051.db2.gz UDLXATOUWUZMMX-HNNXBMFYSA-N 1 0 311.809 2.394 50 0 DEAARO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2[nH]1 ZINC000097106917 402107461 /nfs/dbraw/zinc/10/74/61/402107461.db2.gz ULMOMMCDXILMPX-UHFFFAOYSA-N 1 0 323.400 2.141 50 0 DEAARO CC(C)(C)[C@@H]([NH2+]CCc1cccc(Br)c1)C(N)=O ZINC000097162404 402112667 /nfs/dbraw/zinc/11/26/67/402112667.db2.gz BEPJNRZAAOGTDL-LBPRGKRZSA-N 1 0 313.239 2.481 50 0 DEAARO CC[NH+](CC)CCn1ccc2cc(NS(C)(=O)=O)ccc21 ZINC000097164225 402113467 /nfs/dbraw/zinc/11/34/67/402113467.db2.gz DIVIKXJCVRXSOT-UHFFFAOYSA-N 1 0 309.435 2.355 50 0 DEAARO O=C(CCCc1cn[nH]c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000097173072 402114177 /nfs/dbraw/zinc/11/41/77/402114177.db2.gz YFDSEKYNFODVRD-UHFFFAOYSA-N 1 0 304.438 2.209 50 0 DEAARO [NH3+]CCCOC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000097212912 402118017 /nfs/dbraw/zinc/11/80/17/402118017.db2.gz FIQXGWMDYZHHIP-UHFFFAOYSA-N 1 0 316.323 2.074 50 0 DEAARO Cc1nc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)sc1C ZINC000097234403 402119399 /nfs/dbraw/zinc/11/93/99/402119399.db2.gz MNFRNGDZSULPHI-ZIAGYGMSSA-N 1 0 322.478 2.386 50 0 DEAARO Cc1ccc(-c2nc([C@@H]3CC[NH2+]C3)n(CC(F)(F)F)n2)o1 ZINC000096161121 402064410 /nfs/dbraw/zinc/06/44/10/402064410.db2.gz MDIPQZBFZHSQBB-SECBINFHSA-N 1 0 300.284 2.486 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Br)c(F)c1 ZINC000054369279 402067279 /nfs/dbraw/zinc/06/72/79/402067279.db2.gz FGVBXLLGZVOPHX-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cn[nH]c1 ZINC000065423952 402124888 /nfs/dbraw/zinc/12/48/88/402124888.db2.gz IJPVBVXWMRTZLK-GFCCVEGCSA-N 1 0 305.407 2.430 50 0 DEAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)nc1 ZINC000153359605 402141069 /nfs/dbraw/zinc/14/10/69/402141069.db2.gz PQXWWPVBIANWEL-UHFFFAOYSA-N 1 0 313.401 2.300 50 0 DEAARO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C2)c(F)c1F ZINC000097631985 402128721 /nfs/dbraw/zinc/12/87/21/402128721.db2.gz DSBMTSLHUQOIPJ-GFCCVEGCSA-N 1 0 312.360 2.320 50 0 DEAARO COc1cccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1O ZINC000097667670 402129368 /nfs/dbraw/zinc/12/93/68/402129368.db2.gz QWEXALFXQVKOHB-QWHCGFSZSA-N 1 0 306.406 2.251 50 0 DEAARO Cc1ccccc1OC1CN(CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000097698634 402130386 /nfs/dbraw/zinc/13/03/86/402130386.db2.gz IHZAKMFOIVMHIH-UHFFFAOYSA-N 1 0 318.461 2.416 50 0 DEAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CCN1c1ccccc1 ZINC000098019379 402134079 /nfs/dbraw/zinc/13/40/79/402134079.db2.gz FMGPWVVGYAXRFL-QBPKDAKJSA-N 1 0 300.402 2.339 50 0 DEAARO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000123656145 402140461 /nfs/dbraw/zinc/14/04/61/402140461.db2.gz PQUQYNPUGCKJRY-HZPDHXFCSA-N 1 0 323.481 2.317 50 0 DEAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ncccc2O)CC1 ZINC000097377872 402123366 /nfs/dbraw/zinc/12/33/66/402123366.db2.gz LSABULQJQVBJJY-UHFFFAOYSA-N 1 0 315.373 2.117 50 0 DEAARO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccc(F)c1 ZINC000066875101 402145172 /nfs/dbraw/zinc/14/51/72/402145172.db2.gz ZYYBNGKUNPQWFG-UHFFFAOYSA-N 1 0 322.405 2.035 50 0 DEAARO C[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H](C)[NH2+]1 ZINC000153948827 402182435 /nfs/dbraw/zinc/18/24/35/402182435.db2.gz AGHXSJJDKJHDFR-QWRGUYRKSA-N 1 0 302.403 2.028 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc(Br)c1 ZINC000124838893 402200213 /nfs/dbraw/zinc/20/02/13/402200213.db2.gz LOCNXXOZZIQIMQ-LLVKDONJSA-N 1 0 311.223 2.202 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc3ccccc3n2)C1 ZINC000067654477 402166678 /nfs/dbraw/zinc/16/66/78/402166678.db2.gz NURRGDWDYDOJGY-HNNXBMFYSA-N 1 0 314.433 2.130 50 0 DEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2 ZINC000067673319 402167346 /nfs/dbraw/zinc/16/73/46/402167346.db2.gz ABZOYAGNSFOFJZ-UONOGXRCSA-N 1 0 310.401 2.385 50 0 DEAARO C=Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)NC3CCCC3)C2)cn1 ZINC000067713202 402169706 /nfs/dbraw/zinc/16/97/06/402169706.db2.gz OUBALMXYEMVJEF-CQSZACIVSA-N 1 0 317.437 2.047 50 0 DEAARO Cc1cccc2nc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cn21 ZINC000067714654 402170091 /nfs/dbraw/zinc/17/00/91/402170091.db2.gz DMEPEZPTPYJXBH-HNNXBMFYSA-N 1 0 314.433 2.493 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCCCCC2)C1 ZINC000067723190 402170098 /nfs/dbraw/zinc/17/00/98/402170098.db2.gz XHHLRQQYXOSIGF-MRXNPFEDSA-N 1 0 323.481 2.016 50 0 DEAARO CCn1ncnc1[C@@H](C)Nc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067739877 402170564 /nfs/dbraw/zinc/17/05/64/402170564.db2.gz ARFCOUJCLPNSIT-LLVKDONJSA-N 1 0 315.425 2.037 50 0 DEAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000067850188 402175080 /nfs/dbraw/zinc/17/50/80/402175080.db2.gz PTUICVIPJZRNOF-AWEZNQCLSA-N 1 0 321.421 2.236 50 0 DEAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)nc1 ZINC000067847154 402175125 /nfs/dbraw/zinc/17/51/25/402175125.db2.gz NFCCLGKPFZRNDU-INIZCTEOSA-N 1 0 301.434 2.478 50 0 DEAARO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@H](C)[NH2+]1 ZINC000153856456 402175821 /nfs/dbraw/zinc/17/58/21/402175821.db2.gz GPQIMBRGQSUDPS-PHIMTYICSA-N 1 0 302.353 2.038 50 0 DEAARO Cc1nc(C[C@H]2C[NH2+]CCO2)n(-c2ccc(Cl)cc2C)n1 ZINC000067869058 402176737 /nfs/dbraw/zinc/17/67/37/402176737.db2.gz VESAPUKVDFQBKU-ZDUSSCGKSA-N 1 0 306.797 2.068 50 0 DEAARO C[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000067872352 402177080 /nfs/dbraw/zinc/17/70/80/402177080.db2.gz SGGXRWQUANVFEH-MRXNPFEDSA-N 1 0 321.808 2.150 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1nccn1CC(F)(F)F)n1cccn1 ZINC000069349665 402219415 /nfs/dbraw/zinc/21/94/15/402219415.db2.gz PRNRJFJNXVZVKQ-WDEREUQCSA-N 1 0 301.316 2.381 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](c1ccccc1)n1cccn1 ZINC000069415049 402222018 /nfs/dbraw/zinc/22/20/18/402222018.db2.gz DMDXXYBSSGSKQN-KZNAEPCWSA-N 1 0 324.428 2.216 50 0 DEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(C(=O)OC)n1 ZINC000069415757 402222349 /nfs/dbraw/zinc/22/23/49/402222349.db2.gz OIFIZQYERJEGLZ-ZDUSSCGKSA-N 1 0 321.421 2.109 50 0 DEAARO C[C@H](CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1)[NH+]1CCCC1 ZINC000069530594 402229167 /nfs/dbraw/zinc/22/91/67/402229167.db2.gz 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300.406 2.394 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)cc1 ZINC000215832537 402285158 /nfs/dbraw/zinc/28/51/58/402285158.db2.gz MSDSEVZPKZWBRC-WBVHZDCISA-N 1 0 324.428 2.486 50 0 DEAARO CCc1ccc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000216238654 402287802 /nfs/dbraw/zinc/28/78/02/402287802.db2.gz OGVQCSFVPKYOFL-MRXNPFEDSA-N 1 0 306.406 2.055 50 0 DEAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000225399256 402316499 /nfs/dbraw/zinc/31/64/99/402316499.db2.gz AKAFXLJLZMQQAF-QWHCGFSZSA-N 1 0 322.371 2.194 50 0 DEAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000225398543 402316642 /nfs/dbraw/zinc/31/66/42/402316642.db2.gz ROSZULBSKVDSHB-GDBMZVCRSA-N 1 0 312.417 2.267 50 0 DEAARO C[C@@H]1CN(Cc2ccccn2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229527780 402343341 /nfs/dbraw/zinc/34/33/41/402343341.db2.gz HPRGDHSXSYFNCN-VQIMIIECSA-N 1 0 311.429 2.321 50 0 DEAARO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229780676 402344942 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LNPAYTCEBZSCFF-BXUZGUMPSA-N 1 0 316.854 2.100 50 0 DEAARO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000253432240 402666804 /nfs/dbraw/zinc/66/68/04/402666804.db2.gz JKYQUUIPCNGNCC-QLFBSQMISA-N 1 0 318.417 2.192 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)CCO3)[C@H]1C[NH3+] ZINC000254970372 402673403 /nfs/dbraw/zinc/67/34/03/402673403.db2.gz KVVXEVKFEIJFET-UQXCZLMFSA-N 1 0 300.402 2.221 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C\c2cc(Br)ccc2F)C1 ZINC000255166440 402680549 /nfs/dbraw/zinc/68/05/49/402680549.db2.gz WEOQPENXMRETSR-PNDGHQIGSA-N 1 0 313.170 2.161 50 0 DEAARO C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C[C@@H](C)[NH2+]1 ZINC000255205185 402681613 /nfs/dbraw/zinc/68/16/13/402681613.db2.gz VHQNSNVRCKGHJT-OVUXIIJLSA-N 1 0 310.401 2.094 50 0 DEAARO Cc1noc([C@H]2CC3(CN2C)CCN(C(=O)C(C)C)CC3)n1 ZINC000257179789 402700823 /nfs/dbraw/zinc/70/08/23/402700823.db2.gz JLWJUBXPLYHZBO-CYBMUJFWSA-N 1 0 306.410 2.019 50 0 DEAARO CCn1cc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1 ZINC000257184375 402701093 /nfs/dbraw/zinc/70/10/93/402701093.db2.gz UKDUDHYDHBEBBH-CVEARBPZSA-N 1 0 304.438 2.174 50 0 DEAARO C[C@@H]1C[C@H](NC(=O)Nc2ccncn2)C[N@@H+]1Cc1ccccc1 ZINC000194051576 402782682 /nfs/dbraw/zinc/78/26/82/402782682.db2.gz VMGJNFNQANOUPK-HIFRSBDPSA-N 1 0 311.389 2.261 50 0 DEAARO CCc1cnc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)s1 ZINC000175972534 402845580 /nfs/dbraw/zinc/84/55/80/402845580.db2.gz XGBHXNFISXCPKP-UHFFFAOYSA-N 1 0 324.450 2.034 50 0 DEAARO CC(=O)N1CCC(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279180883 402913028 /nfs/dbraw/zinc/91/30/28/402913028.db2.gz RWDFUAPZHRBDDW-UHFFFAOYSA-N 1 0 312.417 2.220 50 0 DEAARO c1nnn2c1CO[C@H]1C[N@H+](C3CCc4ccccc4CC3)CC[C@@H]12 ZINC000299765006 403567894 /nfs/dbraw/zinc/56/78/94/403567894.db2.gz YHCSYXRWHIRFEJ-OALUTQOASA-N 1 0 324.428 2.371 50 0 DEAARO Cc1cccc2[nH]c(CCNC(=O)C[N@@H+](C)C3CCCC3)nc21 ZINC000299762278 403568256 /nfs/dbraw/zinc/56/82/56/403568256.db2.gz SXVHNMLSNUHWLW-UHFFFAOYSA-N 1 0 314.433 2.404 50 0 DEAARO Cc1ncc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000299784437 403574636 /nfs/dbraw/zinc/57/46/36/403574636.db2.gz ONIMFPPNGHXQCG-UHFFFAOYSA-N 1 0 302.422 2.123 50 0 DEAARO O=C(c1ccc(Cl)cn1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299788991 403575576 /nfs/dbraw/zinc/57/55/76/403575576.db2.gz UVUNQPCCGMRWHU-CQSZACIVSA-N 1 0 323.824 2.062 50 0 DEAARO CC(=O)c1cccc(C(=O)NCC2(C[NH+]3CCCC3)CC2)c1 ZINC000299794930 403576718 /nfs/dbraw/zinc/57/67/18/403576718.db2.gz KGQOZKHHZJDNBM-UHFFFAOYSA-N 1 0 300.402 2.495 50 0 DEAARO Cc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OCCC[NH3+] ZINC000299794980 403577589 /nfs/dbraw/zinc/57/75/89/403577589.db2.gz LBGSWZPLBJQJOX-INIZCTEOSA-N 1 0 320.433 2.364 50 0 DEAARO COCC[N@H+](C[C@@H]1CC=CCC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000342127510 404384986 /nfs/dbraw/zinc/38/49/86/404384986.db2.gz KVKNEEXJZYRXOS-CVEARBPZSA-N 1 0 315.479 2.116 50 0 DEAARO CCOc1c(Cl)cccc1CC(=O)N1CCC(C[NH3+])CC1 ZINC000297263028 404524813 /nfs/dbraw/zinc/52/48/13/404524813.db2.gz RUJPRDNVKWZQIZ-UHFFFAOYSA-N 1 0 310.825 2.479 50 0 DEAARO Cc1ncccc1CSc1nnc([C@@H]2CCC[NH2+]C2)n1C ZINC000426409195 405358083 /nfs/dbraw/zinc/35/80/83/405358083.db2.gz WKRDGOCGVZQJSL-GFCCVEGCSA-N 1 0 303.435 2.278 50 0 DEAARO COC(C)(C)CNC(=O)N(C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000426376392 405355963 /nfs/dbraw/zinc/35/59/63/405355963.db2.gz OWVJYBPOQLQGDW-HNNXBMFYSA-N 1 0 307.438 2.356 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)NCCC[N@H+](C)C2CCCC2)n1 ZINC000426445196 405360347 /nfs/dbraw/zinc/36/03/47/405360347.db2.gz YYRDVOKWRSIFHJ-UHFFFAOYSA-N 1 0 307.442 2.124 50 0 DEAARO [NH3+]CCOc1cccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000426473335 405362433 /nfs/dbraw/zinc/36/24/33/405362433.db2.gz AXBCQOLHAIOUCK-ZWKOTPCHSA-N 1 0 310.397 2.239 50 0 DEAARO O=C(NCc1ncc(Cl)cn1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426508176 405365170 /nfs/dbraw/zinc/36/51/70/405365170.db2.gz ZSOVGLROJREEDB-CHWSQXEVSA-N 1 0 308.813 2.011 50 0 DEAARO NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426518923 405366112 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C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000246084872 225224358 /nfs/dbraw/zinc/22/43/58/225224358.db2.gz IETGUPJMMHSZBQ-RISCZKNCSA-N 1 0 301.394 2.054 50 0 DEAARO C[C@H]1OCC[C@H]1N(CCO)Cc1ccccc1Br ZINC000390834012 227222153 /nfs/dbraw/zinc/22/21/53/227222153.db2.gz QHSWUJAUKXLVKG-BXUZGUMPSA-N 1 0 314.223 2.421 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000299739606 229372960 /nfs/dbraw/zinc/37/29/60/229372960.db2.gz QNXXBOXPEVRLNY-WOPDTQHZSA-N 1 0 312.360 2.318 50 0 DEAARO CN(C(=O)c1cccnc1Nc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000299740229 229374799 /nfs/dbraw/zinc/37/47/99/229374799.db2.gz XGILITYUYUVYNB-CQSZACIVSA-N 1 0 314.364 2.398 50 0 DEAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000299797686 229458220 /nfs/dbraw/zinc/45/82/20/229458220.db2.gz ONFWSWXWGWTXJU-CYBMUJFWSA-N 1 0 318.204 2.229 50 0 DEAARO COCCOc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421684115 229970713 /nfs/dbraw/zinc/97/07/13/229970713.db2.gz IIWILEYQHHKJQV-UHFFFAOYSA-N 1 0 320.433 2.314 50 0 DEAARO CC(C)CC(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000046935055 424822231 /nfs/dbraw/zinc/82/22/31/424822231.db2.gz MSJHFBSPODHCRG-UHFFFAOYSA-N 1 0 303.450 2.096 50 0 DEAARO CC(C)[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(F)cc1 ZINC000049067072 424836004 /nfs/dbraw/zinc/83/60/04/424836004.db2.gz HLHVILWJECYZAO-CQSZACIVSA-N 1 0 302.415 2.052 50 0 DEAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)OC)c(C)c2)CC1 ZINC000056170265 424839273 /nfs/dbraw/zinc/83/92/73/424839273.db2.gz BNXXUBFNTBGUHK-CQSZACIVSA-N 1 0 305.422 2.110 50 0 DEAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CCN1c1ccccc1 ZINC000227371093 424885708 /nfs/dbraw/zinc/88/57/08/424885708.db2.gz FMGPWVVGYAXRFL-VQHPVUNQSA-N 1 0 300.402 2.339 50 0 DEAARO Nc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244605554 424885979 /nfs/dbraw/zinc/88/59/79/424885979.db2.gz FATLOVWAROCZQW-BETUJISGSA-N 1 0 316.380 2.481 50 0 DEAARO C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000252512713 424888105 /nfs/dbraw/zinc/88/81/05/424888105.db2.gz UZRXPVNUABBOTM-PVAVHDDUSA-N 1 0 302.418 2.317 50 0 DEAARO COCC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000053421078 274026578 /nfs/dbraw/zinc/02/65/78/274026578.db2.gz WHCIDLJQFQHYMH-UHFFFAOYSA-N 1 0 303.328 2.259 50 0 DEAARO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCCc1ccccc1 ZINC000053079390 276260596 /nfs/dbraw/zinc/26/05/96/276260596.db2.gz IEDVBCXLBUUVNQ-CQSZACIVSA-N 1 0 305.422 2.175 50 0 DEAARO COCCC1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000089375297 277203011 /nfs/dbraw/zinc/20/30/11/277203011.db2.gz MMXQMOYBZCIQIK-OAHLLOKOSA-N 1 0 311.470 2.224 50 0 DEAARO COCCN1C[C@@H](Cc2cccc(C[NH+]3CCCC3)c2)CC1=O ZINC000252497550 277227562 /nfs/dbraw/zinc/22/75/62/277227562.db2.gz QKDNYPYATBSZGF-SFHVURJKSA-N 1 0 316.445 2.320 50 0 DEAARO COC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095436588 277319141 /nfs/dbraw/zinc/31/91/41/277319141.db2.gz SGSPCSRJUOESEF-CHWSQXEVSA-N 1 0 317.307 2.376 50 0 DEAARO C[C@@H]1SCC[N@H+](C[C@@H](O)Cn2cccn2)[C@@H]1c1ccccc1 ZINC000229710714 278073063 /nfs/dbraw/zinc/07/30/63/278073063.db2.gz ANKWNLOVISWQIF-UAGQMJEPSA-N 1 0 317.458 2.423 50 0 DEAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229723199 279216078 /nfs/dbraw/zinc/21/60/78/279216078.db2.gz VBUKETIBJJZMLL-UKRRQHHQSA-N 1 0 317.433 2.489 50 0 DEAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156253080 281355641 /nfs/dbraw/zinc/35/56/41/281355641.db2.gz PNQVDLGWMWYISZ-ZSDSOXJFSA-N 1 0 315.479 2.342 50 0 DEAARO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000338779069 281384780 /nfs/dbraw/zinc/38/47/80/281384780.db2.gz MWBGZBNRUIGFDY-LBPRGKRZSA-N 1 0 321.387 2.050 50 0 DEAARO C[C@H](CN1CCOCC1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000091531519 289613069 /nfs/dbraw/zinc/61/30/69/289613069.db2.gz XZEWJTNOOYIEMK-VQIMIIECSA-N 1 0 318.461 2.153 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131744158 300418999 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Fc1ccc(C2(C[NH2+]C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000058305886 337458543 /nfs/dbraw/zinc/45/85/43/337458543.db2.gz MXHMASCXCBETMJ-CYBMUJFWSA-N 1 0 300.381 2.385 50 0 DEAARO CCNc1cc(NCCNC(=O)c2ccccc2C)nc(C)[nH+]1 ZINC000065365278 520274626 /nfs/dbraw/zinc/27/46/26/520274626.db2.gz CYUMXHJNKVVUKM-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO C[C@@H]1CN(CCC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000328588550 563929662 /nfs/dbraw/zinc/92/96/62/563929662.db2.gz IHHSQJRUTDVLGN-DJDHSFSDSA-N 1 0 322.493 2.375 50 0 DEAARO CC(C)(CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)Oc1ccccc1 ZINC000888094349 635501933 /nfs/dbraw/zinc/50/19/33/635501933.db2.gz JJHFBQTYFKZUKA-JKSUJKDBSA-N 1 0 302.418 2.491 50 0 DEAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccccn2)C1 ZINC000011936816 635914670 /nfs/dbraw/zinc/91/46/70/635914670.db2.gz KLOOWNHZEHAOFU-KRWDZBQOSA-N 1 0 306.406 2.263 50 0 DEAARO O=c1c2cc(Br)ccc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000258245802 636422457 /nfs/dbraw/zinc/42/24/57/636422457.db2.gz QHIFWYRNNWOXRJ-SNVBAGLBSA-N 1 0 308.179 2.084 50 0 DEAARO CC[C@H](O)C[NH+]1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000174085155 646790289 /nfs/dbraw/zinc/79/02/89/646790289.db2.gz QXXAQNQKMMBDEX-KRWDZBQOSA-N 1 0 313.445 2.432 50 0 DEAARO C[C@@](O)(C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000848527861 647171126 /nfs/dbraw/zinc/17/11/26/647171126.db2.gz IVHBYNXJJZLHFI-IAGOWNOFSA-N 1 0 324.490 2.189 50 0 DEAARO COc1ccc2[nH]c(=O)c(CN3CCCn4cncc4C3)cc2c1 ZINC000072161224 683927587 /nfs/dbraw/zinc/92/75/87/683927587.db2.gz TXPMCEFQHJVIJL-UHFFFAOYSA-N 1 0 324.384 2.139 50 0 DEAARO CC(=O)NCc1cc2n(n1)CC[N@H+](CCCC1CCCC1)C2 ZINC000082137427 683995560 /nfs/dbraw/zinc/99/55/60/683995560.db2.gz AFKMEZDWULMLTC-UHFFFAOYSA-N 1 0 304.438 2.305 50 0 DEAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000093360755 684049824 /nfs/dbraw/zinc/04/98/24/684049824.db2.gz ZYBWBUFHEXPYKL-OAHLLOKOSA-N 1 0 302.418 2.358 50 0 DEAARO CCc1cc(N2CCC3(CCN(C)C3=O)CC2)nc(CC)n1 ZINC000928996471 693869284 /nfs/dbraw/zinc/86/92/84/693869284.db2.gz UFVJENYRAMWJCZ-UHFFFAOYSA-N 1 0 302.422 2.050 50 0 DEAARO COCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000824312842 783592703 /nfs/dbraw/zinc/59/27/03/783592703.db2.gz ALWKFWPUCZEKCE-OAHLLOKOSA-N 1 0 319.405 2.084 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccon3)C2)o1 ZINC000825198114 783620938 /nfs/dbraw/zinc/62/09/38/783620938.db2.gz XLDGBADRKKOBGK-ZDUSSCGKSA-N 1 0 303.362 2.218 50 0 DEAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3ccon3)CC2)n1 ZINC000825230590 783621878 /nfs/dbraw/zinc/62/18/78/783621878.db2.gz COGIUGUJLFJWCP-UHFFFAOYSA-N 1 0 314.389 2.020 50 0 DEAARO CC(C)c1csc(CCNC(=O)N2CCCC[C@@H]2C[NH3+])n1 ZINC000827268006 783670351 /nfs/dbraw/zinc/67/03/51/783670351.db2.gz MTHFRZSCRLJBFO-GFCCVEGCSA-N 1 0 310.467 2.332 50 0 DEAARO Nc1ncc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)s1 ZINC000827590646 783678298 /nfs/dbraw/zinc/67/82/98/783678298.db2.gz RYJRZRLNPMJGHF-UHFFFAOYSA-N 1 0 308.451 2.254 50 0 DEAARO COc1ccc2ccccc2c1CN1CC[N@H+](C)[C@H](CCO)C1 ZINC000828747378 783848324 /nfs/dbraw/zinc/84/83/24/783848324.db2.gz XKBRWAAPSFUISH-MRXNPFEDSA-N 1 0 314.429 2.347 50 0 DEAARO Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3C)C[C@H]2N(C)C)[nH]1 ZINC000575542019 784251811 /nfs/dbraw/zinc/25/18/11/784251811.db2.gz KBARQLKQSDDWSC-DLBZAZTESA-N 1 0 313.449 2.341 50 0 DEAARO O=C(c1ccsc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581788198 784775679 /nfs/dbraw/zinc/77/56/79/784775679.db2.gz XJHVJORKDGJHSU-AWEZNQCLSA-N 1 0 308.447 2.323 50 0 DEAARO C[NH+](C)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1CO ZINC000581799321 784779361 /nfs/dbraw/zinc/77/93/61/784779361.db2.gz QOJVEEMJIAKYTP-UKRRQHHQSA-N 1 0 316.367 2.450 50 0 DEAARO c1cncc(CN2CC([N@@H+](CC3CC3)C3CCOCC3)C2)c1 ZINC000581794638 784783445 /nfs/dbraw/zinc/78/34/45/784783445.db2.gz JWYTWVKEADWJCM-UHFFFAOYSA-N 1 0 301.434 2.157 50 0 DEAARO O=C(c1cccs1)N1CCC2(CC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000581803733 784784154 /nfs/dbraw/zinc/78/41/54/784784154.db2.gz SMPHAZLVZZBOEI-HNNXBMFYSA-N 1 0 320.458 2.465 50 0 DEAARO COc1ccc(CCCC(=O)N2C[C@H]([NH3+])[C@@H](C(C)C)C2)cc1 ZINC000219561468 789683932 /nfs/dbraw/zinc/68/39/32/789683932.db2.gz KRLJMAZZOBOXQN-SJORKVTESA-N 1 0 304.434 2.460 50 0 DEAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc(F)c(F)c(F)c1F ZINC000585113785 789700352 /nfs/dbraw/zinc/70/03/52/789700352.db2.gz MCBWJCGEUFBSFS-QMMMGPOBSA-N 1 0 304.287 2.457 50 0 DEAARO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000585116701 789704040 /nfs/dbraw/zinc/70/40/40/789704040.db2.gz GDKOAUZTYWADOJ-LJQANCHMSA-N 1 0 324.380 2.044 50 0 DEAARO CC1(C)C[NH2+][C@H]1C1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000952877352 792793140 /nfs/dbraw/zinc/79/31/40/792793140.db2.gz OMINBPJPCQPPCP-KRWDZBQOSA-N 1 0 317.481 2.215 50 0 DEAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccnn1C ZINC000952979588 792845664 /nfs/dbraw/zinc/84/56/64/792845664.db2.gz OKDNWKWPOKCNAU-AWEZNQCLSA-N 1 0 316.405 2.490 50 0 DEAARO c1ccc(C[C@@H]2CN(c3ccc4nccnc4n3)CC[NH2+]2)cc1 ZINC000952993085 792855487 /nfs/dbraw/zinc/85/54/87/792855487.db2.gz 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C[NH+](C)CCN(Cc1cccnc1)C(=O)/C=C/c1cscn1 ZINC000079050184 185149280 /nfs/dbraw/zinc/14/92/80/185149280.db2.gz PSJUBDPWXHXUSJ-AATRIKPKSA-N 1 0 316.430 2.142 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1F ZINC000079054962 185150299 /nfs/dbraw/zinc/15/02/99/185150299.db2.gz CDXLXKDMOXCITD-UHFFFAOYSA-N 1 0 321.377 2.174 50 0 DEAARO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1C ZINC000079354161 185166723 /nfs/dbraw/zinc/16/67/23/185166723.db2.gz SDYKQWRVNVNWMH-ZBFHGGJFSA-N 1 0 320.433 2.119 50 0 DEAARO CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CCCC2)n(C)n1 ZINC000082107948 192356498 /nfs/dbraw/zinc/35/64/98/192356498.db2.gz FSTYSASRTHZYND-UHFFFAOYSA-N 1 0 306.454 2.490 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082120682 192359177 /nfs/dbraw/zinc/35/91/77/192359177.db2.gz WLLYVMBZWAYBJK-GOSISDBHSA-N 1 0 320.433 2.175 50 0 DEAARO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)no1 ZINC000082148130 192361536 /nfs/dbraw/zinc/36/15/36/192361536.db2.gz HQKPKARTKJRSPY-UHFFFAOYSA-N 1 0 300.362 2.039 50 0 DEAARO C[N@H+](C[C@@H]1CCCO1)C1CCN(CCc2ccccn2)CC1 ZINC000095408730 185356689 /nfs/dbraw/zinc/35/66/89/185356689.db2.gz QMROSXJOEXAYAM-SFHVURJKSA-N 1 0 303.450 2.199 50 0 DEAARO CN(C[C@@H](O)C1CC1)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095411282 185357533 /nfs/dbraw/zinc/35/75/33/185357533.db2.gz QEEGTXKOYZJNTH-DOTOQJQBSA-N 1 0 323.481 2.196 50 0 DEAARO CCOC(=O)C(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000095447536 185367857 /nfs/dbraw/zinc/36/78/57/185367857.db2.gz UELXUGTUJKHCNU-ZDUSSCGKSA-N 1 0 310.438 2.051 50 0 DEAARO CSc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000095449134 185368328 /nfs/dbraw/zinc/36/83/28/185368328.db2.gz JPURZZBIDAXMJC-ZDUSSCGKSA-N 1 0 310.488 2.462 50 0 DEAARO CC(C)Oc1ccccc1CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000095463248 185371361 /nfs/dbraw/zinc/37/13/61/185371361.db2.gz NQZKWTXOMLTCIH-UHFFFAOYSA-N 1 0 302.418 2.394 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097020532 185398240 /nfs/dbraw/zinc/39/82/40/185398240.db2.gz MOQSMSPTBHPHDB-NOZJJQNGSA-N 1 0 306.303 2.393 50 0 DEAARO CN(C)C1(C[NH2+]Cc2ccccc2-n2cccn2)CCOCC1 ZINC000084662296 539397178 /nfs/dbraw/zinc/39/71/78/539397178.db2.gz VHNMXVWYEIBSNE-UHFFFAOYSA-N 1 0 314.433 2.073 50 0 DEAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084760861 539398207 /nfs/dbraw/zinc/39/82/07/539398207.db2.gz IFNKZGHZLXBEGD-ZDUSSCGKSA-N 1 0 322.430 2.395 50 0 DEAARO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084760864 539398330 /nfs/dbraw/zinc/39/83/30/539398330.db2.gz IFNKZGHZLXBEGD-CYBMUJFWSA-N 1 0 322.430 2.395 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000240668571 530052546 /nfs/dbraw/zinc/05/25/46/530052546.db2.gz HNNASAHHWJHEPQ-BDXSIMOUSA-N 1 0 319.493 2.051 50 0 DEAARO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000090455092 539415724 /nfs/dbraw/zinc/41/57/24/539415724.db2.gz WCYNTWKPSFMLOG-IAQYHMDHSA-N 1 0 316.380 2.413 50 0 DEAARO CN1CCC([NH2+]C[C@H](O)c2cccc(OC(F)F)c2)CC1 ZINC000090910740 539418738 /nfs/dbraw/zinc/41/87/38/539418738.db2.gz DWZSFDWDLLTGLA-AWEZNQCLSA-N 1 0 300.349 2.005 50 0 DEAARO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cc(F)c(Cl)cc1Cl ZINC000277621120 213638666 /nfs/dbraw/zinc/63/86/66/213638666.db2.gz BKSIOSDGWHPWRD-DJOAAKCGSA-N 1 0 321.179 2.033 50 0 DEAARO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCS(C)(=O)=O ZINC000219371793 539727130 /nfs/dbraw/zinc/72/71/30/539727130.db2.gz KNSFSAWDUIVXRX-JTQLQIEISA-N 1 0 320.252 2.014 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2ccc(O)cn2)CCC[N@@H+]1CC1CC1 ZINC000071752863 191024068 /nfs/dbraw/zinc/02/40/68/191024068.db2.gz PMSKNFIVSUYKJE-KRWDZBQOSA-N 1 0 317.433 2.370 50 0 DEAARO CCn1ccnc1CN(C)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072126461 191043008 /nfs/dbraw/zinc/04/30/08/191043008.db2.gz NFWOEFRBRGPHSA-MRXNPFEDSA-N 1 0 312.417 2.252 50 0 DEAARO Cc1cnc(CNC(=O)c2ccc(C[C@H]3CCC[NH2+]C3)cc2)cn1 ZINC000072145770 191053501 /nfs/dbraw/zinc/05/35/01/191053501.db2.gz XDGGFTMACQJASH-MRXNPFEDSA-N 1 0 324.428 2.257 50 0 DEAARO CN(Cc1ccno1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072165779 191065841 /nfs/dbraw/zinc/06/58/41/191065841.db2.gz CWXMIIVRSBGOAY-UHFFFAOYSA-N 1 0 313.401 2.489 50 0 DEAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000141211347 186029378 /nfs/dbraw/zinc/02/93/78/186029378.db2.gz NURIPIXZZLRZKU-CQSZACIVSA-N 1 0 305.422 2.297 50 0 DEAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccsc2)ncn1 ZINC000072254086 191088498 /nfs/dbraw/zinc/08/84/98/191088498.db2.gz LSMLMXPMZCAAJC-CYBMUJFWSA-N 1 0 303.435 2.338 50 0 DEAARO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072286213 191104722 /nfs/dbraw/zinc/10/47/22/191104722.db2.gz RHDQOQJLXFMTMS-YOEHRIQHSA-N 1 0 301.390 2.331 50 0 DEAARO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)Cn1cccn1)CCC2 ZINC000177890079 186199889 /nfs/dbraw/zinc/19/98/89/186199889.db2.gz MEQQEWTYNBJEIR-GXTWGEPZSA-N 1 0 320.462 2.272 50 0 DEAARO C[NH+](C)C1(CNC(=O)C/C=C/c2ccc(F)cc2)CCOCC1 ZINC000072310196 191118553 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Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000000422499 180784238 /nfs/dbraw/zinc/78/42/38/180784238.db2.gz CSSUJTRGDWGUOE-UHFFFAOYSA-N 1 0 309.782 2.025 50 0 DEAARO C[NH+]1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000003613333 181040802 /nfs/dbraw/zinc/04/08/02/181040802.db2.gz GWAJZJJXACZKKG-UHFFFAOYSA-N 1 0 316.323 2.295 50 0 DEAARO CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000072288384 354900179 /nfs/dbraw/zinc/90/01/79/354900179.db2.gz QRIZQCGLZCFIMY-HZPDHXFCSA-N 1 0 323.481 2.016 50 0 DEAARO Cc1nc(NC(=O)C[NH2+][C@@H](C)[C@H](C)n2cccn2)sc1C ZINC000075606734 355096244 /nfs/dbraw/zinc/09/62/44/355096244.db2.gz GOLMKYLBCXNYGN-ONGXEEELSA-N 1 0 307.423 2.134 50 0 DEAARO CCOC(=O)C1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000004948007 181178368 /nfs/dbraw/zinc/17/83/68/181178368.db2.gz DYPKDPWNTDDVMJ-UHFFFAOYSA-N 1 0 307.390 2.479 50 0 DEAARO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183771641 199640508 /nfs/dbraw/zinc/64/05/08/199640508.db2.gz QNCDNLMZDLPLEN-OIISXLGYSA-N 1 0 304.434 2.347 50 0 DEAARO COc1ccc2c(ccn2CC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000078894522 355282934 /nfs/dbraw/zinc/28/29/34/355282934.db2.gz CFVSJHPZYGKMET-CXAGYDPISA-N 1 0 315.417 2.058 50 0 DEAARO CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C2)o1 ZINC000095961641 355697283 /nfs/dbraw/zinc/69/72/83/355697283.db2.gz FITNJPKFGSNOPV-CABCVRRESA-N 1 0 307.438 2.483 50 0 DEAARO C[NH+]1CCC(n2nc([C@@H]3CCOC3)nc2-c2cc[nH]c2)CC1 ZINC000097547534 355705988 /nfs/dbraw/zinc/70/59/88/355705988.db2.gz KMSMODGUBMUXAY-CYBMUJFWSA-N 1 0 301.394 2.044 50 0 DEAARO C[NH+](C)C[C@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000097942757 355707000 /nfs/dbraw/zinc/70/70/00/355707000.db2.gz MMZUIKZOILOHGE-ZDUSSCGKSA-N 1 0 308.447 2.179 50 0 DEAARO C[NH+]1CCC(OC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000169792123 355984876 /nfs/dbraw/zinc/98/48/76/355984876.db2.gz UGRJJNOVJGPPHA-UHFFFAOYSA-N 1 0 302.418 2.402 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000170604368 355987811 /nfs/dbraw/zinc/98/78/11/355987811.db2.gz VJFMRWKUJQPHEF-GOEBONIOSA-N 1 0 314.495 2.335 50 0 DEAARO COC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2C)CCO1 ZINC000192040102 356220371 /nfs/dbraw/zinc/22/03/71/356220371.db2.gz MQPZMXWEQFWUPT-KRWDZBQOSA-N 1 0 301.390 2.028 50 0 DEAARO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1 ZINC000185171645 356203683 /nfs/dbraw/zinc/20/36/83/356203683.db2.gz RVIMVKGBTYTLQI-CQSZACIVSA-N 1 0 322.424 2.330 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000185404275 356206619 /nfs/dbraw/zinc/20/66/19/356206619.db2.gz MKWYNDLQRWKLLS-JKSUJKDBSA-N 1 0 324.490 2.089 50 0 DEAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000195552422 356256066 /nfs/dbraw/zinc/25/60/66/356256066.db2.gz IYMJHEFEYZGKDW-KEYYUXOJSA-N 1 0 318.465 2.327 50 0 DEAARO c1[nH]nc2c1cccc2C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000195561846 356257121 /nfs/dbraw/zinc/25/71/21/356257121.db2.gz QYKDPSLIWIBTKU-UHFFFAOYSA-N 1 0 307.401 2.276 50 0 DEAARO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccn(C)c1=O ZINC000195570023 356257994 /nfs/dbraw/zinc/25/79/94/356257994.db2.gz RIWOYINXJFHNCG-CQSZACIVSA-N 1 0 320.437 2.017 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1noc(CC(C)C)n1 ZINC000229555613 356282110 /nfs/dbraw/zinc/28/21/10/356282110.db2.gz HEMNDIAKECCZFP-HUUCEWRRSA-N 1 0 320.437 2.243 50 0 DEAARO CCO[C@H](C)c1noc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000229728119 356282292 /nfs/dbraw/zinc/28/22/92/356282292.db2.gz AZJIGMURZWRUDE-VXGBXAGGSA-N 1 0 305.382 2.270 50 0 DEAARO CO[C@H](C)CNC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000225509022 356276779 /nfs/dbraw/zinc/27/67/79/356276779.db2.gz KYUYWVUMHDTUOR-OAHLLOKOSA-N 1 0 319.449 2.294 50 0 DEAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)COC)c(OC)c1 ZINC000254869391 356336840 /nfs/dbraw/zinc/33/68/40/356336840.db2.gz VQZCIAAAAFEKKS-HJWXVDRSSA-N 1 0 309.406 2.093 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 ZINC000237085139 202148211 /nfs/dbraw/zinc/14/82/11/202148211.db2.gz 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C[NH2+]C[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2OC)C1 ZINC000237296453 202221723 /nfs/dbraw/zinc/22/17/23/202221723.db2.gz HMEJDGMWANPESS-GFCCVEGCSA-N 1 0 310.825 2.349 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000237326467 202230877 /nfs/dbraw/zinc/23/08/77/202230877.db2.gz CXOCZONRUGIRQK-NEPJUHHUSA-N 1 0 316.854 2.229 50 0 DEAARO COC(=O)C[C@H]1C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000601014383 359895062 /nfs/dbraw/zinc/89/50/62/359895062.db2.gz GYRJOPUUYMNVFG-RYUDHWBXSA-N 1 0 303.280 2.298 50 0 DEAARO CN(CCS(=O)(=O)c1ccccc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000670428831 540932675 /nfs/dbraw/zinc/93/26/75/540932675.db2.gz OZXCEIHOILLTQM-OAHLLOKOSA-N 1 0 324.490 2.122 50 0 DEAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc3c1CCC3=O)CC2 ZINC000670440236 540933436 /nfs/dbraw/zinc/93/34/36/540933436.db2.gz LJBTWYIWNIYUFL-UHFFFAOYSA-N 1 0 312.413 2.373 50 0 DEAARO Cc1cccc(N2CCC([NH2+][C@]3(C)CCS(=O)(=O)C3)CC2)c1 ZINC000670447783 540934651 /nfs/dbraw/zinc/93/46/51/540934651.db2.gz 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CC(C)c1cc(C(=O)NC[C@]2(O)CC[NH2+]C2)c(O)c(C(C)C)c1 ZINC000215909898 201475010 /nfs/dbraw/zinc/47/50/10/201475010.db2.gz VKMAAERHPIMAOO-SFHVURJKSA-N 1 0 320.433 2.093 50 0 DEAARO c1ncn(-c2ccc(CN3CC[NH2+]C4(CCCCC4)C3)cc2)n1 ZINC000093444391 193253192 /nfs/dbraw/zinc/25/31/92/193253192.db2.gz PCRGJJKNGHQIES-UHFFFAOYSA-N 1 0 311.433 2.375 50 0 DEAARO Cc1ccc2ncc(C[N@H+]3CC[C@@H](Cc4cnn(C)c4)C3)n2c1 ZINC000093870667 193321157 /nfs/dbraw/zinc/32/11/57/193321157.db2.gz QZCIVEXWDLDZQP-HNNXBMFYSA-N 1 0 309.417 2.441 50 0 DEAARO CCc1nc(C)ncc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000096435936 193643110 /nfs/dbraw/zinc/64/31/10/193643110.db2.gz RLSJMWJBULFPJJ-UHFFFAOYSA-N 1 0 304.438 2.386 50 0 DEAARO CNC(=O)NC(=O)CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000012757241 181793958 /nfs/dbraw/zinc/79/39/58/181793958.db2.gz WRSRQAMITOHSRT-LLVKDONJSA-N 1 0 303.362 2.271 50 0 DEAARO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000282716362 217198012 /nfs/dbraw/zinc/19/80/12/217198012.db2.gz 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ZINC000042208322 183242320 /nfs/dbraw/zinc/24/23/20/183242320.db2.gz FNQQQIKFNPXKHN-UHFFFAOYSA-N 1 0 316.357 2.160 50 0 DEAARO CCOc1c(Cl)cc(/C=C\C(=O)N2CC[NH2+]CC2)cc1OC ZINC000493871227 249435756 /nfs/dbraw/zinc/43/57/56/249435756.db2.gz OYFFVHUDZLDHHO-PLNGDYQASA-N 1 0 324.808 2.192 50 0 DEAARO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n(C)n1 ZINC000043435166 183363194 /nfs/dbraw/zinc/36/31/94/183363194.db2.gz NOVFSFAJUVXRFA-NSHDSACASA-N 1 0 307.423 2.214 50 0 DEAARO COc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c(F)c1 ZINC000104520553 194012559 /nfs/dbraw/zinc/01/25/59/194012559.db2.gz ARZQHXHRFGREHX-OAHLLOKOSA-N 1 0 310.413 2.111 50 0 DEAARO O=C(NC1CC1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000055913019 184000164 /nfs/dbraw/zinc/00/01/64/184000164.db2.gz XICAOPLPUPIQHN-MRXNPFEDSA-N 1 0 322.836 2.364 50 0 DEAARO COCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764444 184019319 /nfs/dbraw/zinc/01/93/19/184019319.db2.gz BTEVJKBENMCZMH-UHFFFAOYSA-N 1 0 305.422 2.483 50 0 DEAARO CC[NH+]1CCC(CNC(=O)c2cc(C)nc3onc(C)c32)CC1 ZINC000057000742 184023848 /nfs/dbraw/zinc/02/38/48/184023848.db2.gz FPTQRIHXXUHPRE-UHFFFAOYSA-N 1 0 316.405 2.301 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000057557121 184042138 /nfs/dbraw/zinc/04/21/38/184042138.db2.gz ZVZUPGPEJUDGCJ-MRXNPFEDSA-N 1 0 318.417 2.259 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000058379361 184110857 /nfs/dbraw/zinc/11/08/57/184110857.db2.gz UXJIVBXGMPVWIR-UHFFFAOYSA-N 1 0 314.429 2.347 50 0 DEAARO CCCc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058413651 184114995 /nfs/dbraw/zinc/11/49/95/184114995.db2.gz GACSVNMHFVFEFH-IAGOWNOFSA-N 1 0 302.418 2.232 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1F ZINC000063194060 184277705 /nfs/dbraw/zinc/27/77/05/184277705.db2.gz GLRPRRNCOSNCKW-BXUZGUMPSA-N 1 0 300.399 2.025 50 0 DEAARO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000065287943 184322684 /nfs/dbraw/zinc/32/26/84/184322684.db2.gz 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ZINC000065498707 184355359 /nfs/dbraw/zinc/35/53/59/184355359.db2.gz XQFQPNWCLXJOKD-CQSZACIVSA-N 1 0 314.389 2.089 50 0 DEAARO CC(C)[C@@H](CNC(=O)Cc1cn(C)c2ccccc12)[NH+](C)C ZINC000066043450 184385511 /nfs/dbraw/zinc/38/55/11/184385511.db2.gz RSGWANMEPWKJMS-QGZVFWFLSA-N 1 0 301.434 2.423 50 0 DEAARO c1cnn(-c2cncc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000069138126 184500506 /nfs/dbraw/zinc/50/05/06/184500506.db2.gz CSCVSBFQGMQMPT-MRXNPFEDSA-N 1 0 320.400 2.349 50 0 DEAARO COC(=O)[C@@H](O)C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000537702358 285011350 /nfs/dbraw/zinc/01/13/50/285011350.db2.gz QQTNWFCMOCVATR-YPQKKHBXSA-N 1 0 307.365 2.085 50 0 DEAARO Cn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000158582507 197285211 /nfs/dbraw/zinc/28/52/11/197285211.db2.gz PNHBQCONBAOPRN-LLVKDONJSA-N 1 0 318.808 2.304 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000158459819 197274597 /nfs/dbraw/zinc/27/45/97/197274597.db2.gz MVROTKUKQINTOS-HNNXBMFYSA-N 1 0 322.836 2.338 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCC(OC2CCCC2)CC1 ZINC000157312613 197178830 /nfs/dbraw/zinc/17/88/30/197178830.db2.gz DVEBZIXFXKOVDK-AWEZNQCLSA-N 1 0 300.468 2.017 50 0 DEAARO C[C@@H]1CN(C(=O)c2occc2COc2ccccc2)CC[NH2+]1 ZINC000155190650 197030458 /nfs/dbraw/zinc/03/04/58/197030458.db2.gz DHKKJPGFWHBKHD-CYBMUJFWSA-N 1 0 300.358 2.293 50 0 DEAARO O=C(NCCn1cccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000120531897 195185018 /nfs/dbraw/zinc/18/50/18/195185018.db2.gz AJOBADQNDIYDJA-UHFFFAOYSA-N 1 0 304.438 2.148 50 0 DEAARO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000036297642 256532663 /nfs/dbraw/zinc/53/26/63/256532663.db2.gz VBBMSWFRSCNMML-ZDUSSCGKSA-N 1 0 310.444 2.343 50 0 DEAARO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270685142 257237855 /nfs/dbraw/zinc/23/78/55/257237855.db2.gz SVDVFMVREYPTLI-VBQJREDUSA-N 1 0 302.418 2.355 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000237627313 257238724 /nfs/dbraw/zinc/23/87/24/257238724.db2.gz CEXIZQTXAZSXAS-NWDGAFQWSA-N 1 0 318.808 2.478 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237478536 257238839 /nfs/dbraw/zinc/23/88/39/257238839.db2.gz CHDBJEAYFOLWHM-PWSUYJOCSA-N 1 0 316.323 2.466 50 0 DEAARO C[C@@H]1CN(Cc2cscn2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229375972 257260181 /nfs/dbraw/zinc/26/01/81/257260181.db2.gz GCJBLYOMICXKKJ-RHSMWYFYSA-N 1 0 317.458 2.383 50 0 DEAARO NC(=O)[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000071824466 184854931 /nfs/dbraw/zinc/85/49/31/184854931.db2.gz FEFDPJUASMNRKF-GOSISDBHSA-N 1 0 309.413 2.472 50 0 DEAARO CCc1noc2ncc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])cc12 ZINC000121785116 195346869 /nfs/dbraw/zinc/34/68/69/195346869.db2.gz UEQJDYFNMMAMPF-YGRLFVJLSA-N 1 0 302.378 2.127 50 0 DEAARO C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246133241 533651153 /nfs/dbraw/zinc/65/11/53/533651153.db2.gz PKKFJROJLJLBCQ-SJORKVTESA-N 1 0 307.482 2.195 50 0 DEAARO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COCc2cccs2)n1 ZINC000006940272 401734778 /nfs/dbraw/zinc/73/47/78/401734778.db2.gz SYRWXXWUTKDRHX-HNNXBMFYSA-N 1 0 323.462 2.119 50 0 DEAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CCOCC1 ZINC000074878963 401745542 /nfs/dbraw/zinc/74/55/42/401745542.db2.gz REEDHUADXSGQCM-INIZCTEOSA-N 1 0 311.470 2.461 50 0 DEAARO COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(C)cc2)cc1 ZINC000000146420 401688561 /nfs/dbraw/zinc/68/85/61/401688561.db2.gz VZSYIRKPZUZAOC-OAHLLOKOSA-N 1 0 309.373 2.152 50 0 DEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000000178120 401689208 /nfs/dbraw/zinc/68/92/08/401689208.db2.gz NIRGOONUZDRFEN-UHFFFAOYSA-N 1 0 322.380 2.429 50 0 DEAARO c1nc(C[NH2+]C[C@@H]2CCc3nncn3C2)oc1-c1ccccc1 ZINC000071871869 401689477 /nfs/dbraw/zinc/68/94/77/401689477.db2.gz OPRWQRPQWDJPKD-ZDUSSCGKSA-N 1 0 309.373 2.285 50 0 DEAARO COc1cccc(SCC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000071888546 401692763 /nfs/dbraw/zinc/69/27/63/401692763.db2.gz RQQSUVJYIHTIJF-ZDUSSCGKSA-N 1 0 308.447 2.245 50 0 DEAARO COc1c2c(cc3c1[C@H](Cc1cc(C)on1)[N@H+](C)CC3)OCO2 ZINC000000488931 401699629 /nfs/dbraw/zinc/69/96/29/401699629.db2.gz FXHAALPDVFGBNW-ZDUSSCGKSA-N 1 0 316.357 2.492 50 0 biogenic DEAARO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111229641 401702344 /nfs/dbraw/zinc/70/23/44/401702344.db2.gz VYCUFJDLEHVTHL-TZMCWYRMSA-N 1 0 318.808 2.320 50 0 DEAARO CCn1cc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)cn1 ZINC000072145450 401703482 /nfs/dbraw/zinc/70/34/82/401703482.db2.gz CMEBZBOOXGNUOJ-GOSISDBHSA-N 1 0 311.429 2.354 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000072123983 401703765 /nfs/dbraw/zinc/70/37/65/401703765.db2.gz OULMFEASNCURPL-HNNXBMFYSA-N 1 0 313.405 2.028 50 0 DEAARO CSCc1ccc(C[NH2+]C[C@H]2CCc3nnc(C)n3C2)o1 ZINC000072267364 401704755 /nfs/dbraw/zinc/70/47/55/401704755.db2.gz YFCSLPCDWSVXOX-GFCCVEGCSA-N 1 0 306.435 2.395 50 0 DEAARO Cc1cc([C@H](C)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000072269027 401705108 /nfs/dbraw/zinc/70/51/08/401705108.db2.gz CSVXDDIUCOXBNB-JQFCIGGWSA-N 1 0 320.433 2.058 50 0 DEAARO Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)no1 ZINC000072294951 401707478 /nfs/dbraw/zinc/70/74/78/401707478.db2.gz VUEUKPYBCJCJIY-CABCVRRESA-N 1 0 320.437 2.347 50 0 DEAARO Cn1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1=O ZINC000072299860 401707675 /nfs/dbraw/zinc/70/76/75/401707675.db2.gz USQQHGSTLXNPIB-CQSZACIVSA-N 1 0 314.389 2.025 50 0 DEAARO CCOc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1OCC ZINC000002845315 401719178 /nfs/dbraw/zinc/71/91/78/401719178.db2.gz SZONJLXWHGAUBS-ZDUSSCGKSA-N 1 0 308.422 2.412 50 0 DEAARO CCc1nc(C[NH2+]C[C@H]2CCCN2c2cccnn2)cs1 ZINC000075128885 401751167 /nfs/dbraw/zinc/75/11/67/401751167.db2.gz QWHOQOTWRZXVCS-CYBMUJFWSA-N 1 0 303.435 2.254 50 0 DEAARO C[NH+](C)[C@H](CNc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC000008342199 401751936 /nfs/dbraw/zinc/75/19/36/401751936.db2.gz YHWGRZYSBOGIOJ-KRWDZBQOSA-N 1 0 322.416 2.247 50 0 DEAARO C[C@@H](CNC(=O)NCc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000075610427 401764222 /nfs/dbraw/zinc/76/42/22/401764222.db2.gz PJBLPCNMRVEXPE-HNNXBMFYSA-N 1 0 312.417 2.401 50 0 DEAARO C[C@H](C[NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000010475153 401770264 /nfs/dbraw/zinc/77/02/64/401770264.db2.gz MYCLVDVMBSSGAM-CQSZACIVSA-N 1 0 318.442 2.270 50 0 DEAARO CC(C)[NH+]1CCC(CNC(=O)COc2ccc(F)cc2)CC1 ZINC000011027407 401772667 /nfs/dbraw/zinc/77/26/67/401772667.db2.gz BNUZKFIKDZYBFF-UHFFFAOYSA-N 1 0 308.397 2.441 50 0 DEAARO Cc1nc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC000076046368 401778335 /nfs/dbraw/zinc/77/83/35/401778335.db2.gz QNHSTCGFKJVNAP-OAHLLOKOSA-N 1 0 314.389 2.417 50 0 DEAARO Cc1ccccc1CCC(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012316005 401783155 /nfs/dbraw/zinc/78/31/55/401783155.db2.gz RCLDIUHGZASCBP-KRWDZBQOSA-N 1 0 304.434 2.107 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000012531755 401786840 /nfs/dbraw/zinc/78/68/40/401786840.db2.gz HEAHKKGIIAKUTB-HZPDHXFCSA-N 1 0 321.417 2.010 50 0 DEAARO COc1ccc(CCN2C[C@H]([NH2+]C3CCCC3)CC2=O)cc1 ZINC000012713148 401790170 /nfs/dbraw/zinc/79/01/70/401790170.db2.gz VNILENUFZWZPNT-MRXNPFEDSA-N 1 0 302.418 2.371 50 0 DEAARO Cc1cc(=O)n2nc(NCC3([NH+](C)C)CCCCC3)sc2n1 ZINC000012812585 401792071 /nfs/dbraw/zinc/79/20/71/401792071.db2.gz BXXHBCTTYXJTTB-UHFFFAOYSA-N 1 0 321.450 2.136 50 0 DEAARO CCOC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012895936 401793275 /nfs/dbraw/zinc/79/32/75/401793275.db2.gz HFDXZTCCLWNMBB-OAHLLOKOSA-N 1 0 307.390 2.089 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)CC(=O)N(C)C ZINC000012980763 401794901 /nfs/dbraw/zinc/79/49/01/401794901.db2.gz SJEXQDILSLBUBC-CYBMUJFWSA-N 1 0 314.433 2.446 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cn2)CC1 ZINC000020372762 401823589 /nfs/dbraw/zinc/82/35/89/401823589.db2.gz ZYEKORDYAZQXMR-UHFFFAOYSA-N 1 0 314.364 2.225 50 0 DEAARO c1nn(CC[NH+]2CCN(c3cccnc3)CC2)c2ccccc12 ZINC000020997206 401825140 /nfs/dbraw/zinc/82/51/40/401825140.db2.gz YSDUQVBDYXELNK-UHFFFAOYSA-N 1 0 307.401 2.254 50 0 DEAARO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)NC(=O)NC1CCCC1 ZINC000024743456 401830438 /nfs/dbraw/zinc/83/04/38/401830438.db2.gz FSMCCCBGKFXADK-CYBMUJFWSA-N 1 0 318.421 2.023 50 0 DEAARO c1nnc2c(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nccn12 ZINC000077898047 401835821 /nfs/dbraw/zinc/83/58/21/401835821.db2.gz IVRIURXYLMTWCD-HNNXBMFYSA-N 1 0 308.389 2.201 50 0 DEAARO O=C(c1cccc2c1OCCO2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000078726970 401863716 /nfs/dbraw/zinc/86/37/16/401863716.db2.gz GMWBPSVBHOIHRC-AWEZNQCLSA-N 1 0 316.401 2.158 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)Cn1ccnc1)O[C@H](C)C2 ZINC000030909788 401866997 /nfs/dbraw/zinc/86/69/97/401866997.db2.gz OGILDRROQKYULC-QWHCGFSZSA-N 1 0 301.390 2.393 50 0 DEAARO Cc1c2cccc(F)c2oc1C(=O)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC000014955573 401814357 /nfs/dbraw/zinc/81/43/57/401814357.db2.gz JCIQEOGHFVAJAJ-GFCCVEGCSA-N 1 0 320.364 2.067 50 0 DEAARO COCCN1CC[N@H+](Cc2cc(C)c(C)cc2C)CCC1=O ZINC000014952033 401814763 /nfs/dbraw/zinc/81/47/63/401814763.db2.gz GCCGLBRYWFBEBA-UHFFFAOYSA-N 1 0 304.434 2.293 50 0 DEAARO COCCSc1nnc(C2CC[NH+](CC(C)C)CC2)n1C ZINC000014974140 401814859 /nfs/dbraw/zinc/81/48/59/401814859.db2.gz XNUNJGIDLWBGCP-UHFFFAOYSA-N 1 0 312.483 2.389 50 0 DEAARO CCC[NH+]1CCC(c2nnc(CN3CCCCC3)n2C)CC1 ZINC000077426660 401815484 /nfs/dbraw/zinc/81/54/84/401815484.db2.gz RXURVYFWEXYLPF-UHFFFAOYSA-N 1 0 305.470 2.390 50 0 DEAARO CC(C)n1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000077472472 401816240 /nfs/dbraw/zinc/81/62/40/401816240.db2.gz XUVSIINUPGBGRL-UHFFFAOYSA-N 1 0 322.478 2.117 50 0 DEAARO C[NH+]1CCN(c2nc3ccccc3c(N3CCCCC3)n2)CC1 ZINC000041148665 401927605 /nfs/dbraw/zinc/92/76/05/401927605.db2.gz QAYJBDHHJUHRNJ-UHFFFAOYSA-N 1 0 311.433 2.372 50 0 DEAARO NC(=S)c1ccccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000031945371 401875193 /nfs/dbraw/zinc/87/51/93/401875193.db2.gz WBUDJCYJFNPETB-UHFFFAOYSA-N 1 0 312.442 2.038 50 0 DEAARO Cn1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000032761863 401882715 /nfs/dbraw/zinc/88/27/15/401882715.db2.gz RGSFSYWAZLTIAM-CYBMUJFWSA-N 1 0 304.419 2.049 50 0 DEAARO CC[NH+]1CCC(NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000035335419 401898782 /nfs/dbraw/zinc/89/87/82/401898782.db2.gz XBEMRTOBYVWARL-UHFFFAOYSA-N 1 0 308.422 2.286 50 0 DEAARO Cc1nc(COc2ccccc2)sc1C(=O)NCC[NH+](C)C ZINC000036107964 401902481 /nfs/dbraw/zinc/90/24/81/401902481.db2.gz NEZWTWPUTBKMPO-UHFFFAOYSA-N 1 0 319.430 2.322 50 0 DEAARO CN(C(=O)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000036282800 401903850 /nfs/dbraw/zinc/90/38/50/401903850.db2.gz KQNBVFDCXGOXMD-UHFFFAOYSA-N 1 0 303.225 2.335 50 0 DEAARO Cc1cccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)n1 ZINC000036385740 401904735 /nfs/dbraw/zinc/90/47/35/401904735.db2.gz YFISHJUKQFKCEG-GOSISDBHSA-N 1 0 303.450 2.201 50 0 DEAARO CCOC1(OCC)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000036533499 401905442 /nfs/dbraw/zinc/90/54/42/401905442.db2.gz NREYAFTVKXEXRE-LBPRGKRZSA-N 1 0 302.415 2.032 50 0 DEAARO COCc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000045196109 401955441 /nfs/dbraw/zinc/95/54/41/401955441.db2.gz ZVWGBXFWINWDBB-UHFFFAOYSA-N 1 0 305.422 2.118 50 0 DEAARO O=c1n(CC[N@@H+]2CCC[C@H]2c2ccsc2)nc2ccccn21 ZINC000048300561 401997600 /nfs/dbraw/zinc/99/76/00/401997600.db2.gz XPEZUXULSMKVJV-AWEZNQCLSA-N 1 0 314.414 2.395 50 0 DEAARO Cc1nnc(CCC[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000089736317 401959442 /nfs/dbraw/zinc/95/94/42/401959442.db2.gz NWQSEQWKNCPSPC-ZDUSSCGKSA-N 1 0 324.425 2.300 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000045745017 401961365 /nfs/dbraw/zinc/96/13/65/401961365.db2.gz XQEFYFWONWLKIV-UHFFFAOYSA-N 1 0 314.426 2.144 50 0 DEAARO C[C@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)C[C@H]1[NH+](C)C ZINC000089937197 401975070 /nfs/dbraw/zinc/97/50/70/401975070.db2.gz CMYQYHWHKMSAOI-JOYOIKCWSA-N 1 0 310.781 2.091 50 0 DEAARO Cc1cc(C)nc(SCC(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000047383782 401981744 /nfs/dbraw/zinc/98/17/44/401981744.db2.gz RTIXTGFCGKYTDC-UHFFFAOYSA-N 1 0 322.478 2.034 50 0 DEAARO Cc1cc(C)n(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000044890519 401949077 /nfs/dbraw/zinc/94/90/77/401949077.db2.gz PJVAHBIDSYTAAM-OAHLLOKOSA-N 1 0 316.405 2.046 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151019370 402011092 /nfs/dbraw/zinc/01/10/92/402011092.db2.gz LGOKITCKVCPOMK-LBPRGKRZSA-N 1 0 316.323 2.338 50 0 DEAARO CNS(=O)(=O)CCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000095350604 402026733 /nfs/dbraw/zinc/02/67/33/402026733.db2.gz MZEWUAGVYMRDAY-AWEZNQCLSA-N 1 0 302.415 2.052 50 0 DEAARO CCn1nc(C)c(CCNC(=O)[C@@]2(C)CCC[N@H+](CC)C2)c1C ZINC000095354936 402026824 /nfs/dbraw/zinc/02/68/24/402026824.db2.gz SSCDUNOVYSNPRG-SFHVURJKSA-N 1 0 320.481 2.301 50 0 DEAARO CCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)cs1 ZINC000095374442 402029640 /nfs/dbraw/zinc/02/96/40/402029640.db2.gz PWRBARAPGVILHQ-UKRRQHHQSA-N 1 0 322.474 2.493 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(C)o1 ZINC000095939426 402035247 /nfs/dbraw/zinc/03/52/47/402035247.db2.gz XEMMCXVGSJIWQS-UHFFFAOYSA-N 1 0 314.451 2.249 50 0 DEAARO Cc1noc(C)c1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000095955165 402036118 /nfs/dbraw/zinc/03/61/18/402036118.db2.gz IOAGVKIHHVVKRP-UHFFFAOYSA-N 1 0 316.405 2.352 50 0 DEAARO O=C(CCc1ccccc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000095960638 402037206 /nfs/dbraw/zinc/03/72/06/402037206.db2.gz HIKGZLUTAIMMAN-UHFFFAOYSA-N 1 0 316.445 2.333 50 0 DEAARO Cc1ccc(O)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000095982299 402042330 /nfs/dbraw/zinc/04/23/30/402042330.db2.gz PCTXXXIOEYKKTG-UHFFFAOYSA-N 1 0 300.358 2.499 50 0 DEAARO C(C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)COC[C@@H]1CCOC1 ZINC000095985044 402042706 /nfs/dbraw/zinc/04/27/06/402042706.db2.gz OGZXILHHUGCFJD-XGUBFFRZSA-N 1 0 317.520 2.399 50 0 DEAARO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1C(F)(F)F ZINC000095985438 402042733 /nfs/dbraw/zinc/04/27/33/402042733.db2.gz RWBRHJXNCRYCKC-NSHDSACASA-N 1 0 316.323 2.215 50 0 DEAARO Cc1cccc([C@@H]([NH2+]CCN2C(=O)CNC2=O)C(C)(C)C)c1 ZINC000095985700 402042792 /nfs/dbraw/zinc/04/27/92/402042792.db2.gz FCJAADHFFZVTDT-OAHLLOKOSA-N 1 0 303.406 2.224 50 0 DEAARO C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)Cn1cccn1 ZINC000052499193 402043117 /nfs/dbraw/zinc/04/31/17/402043117.db2.gz PSIRGNZSOBIGJZ-HNNXBMFYSA-N 1 0 321.469 2.083 50 0 DEAARO CC1(C)[C@H]([NH2+]Cc2ccccc2OCCO)[C@H]2CCCO[C@@H]21 ZINC000095987946 402043311 /nfs/dbraw/zinc/04/33/11/402043311.db2.gz QEYWUNINMWWQEP-OIISXLGYSA-N 1 0 305.418 2.351 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc3[nH]ccc31)CC2 ZINC000151562104 402043452 /nfs/dbraw/zinc/04/34/52/402043452.db2.gz XXWNGHYOCCUSIP-CYBMUJFWSA-N 1 0 311.389 2.010 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000095996336 402044904 /nfs/dbraw/zinc/04/49/04/402044904.db2.gz REZPAFGQMYGZBG-JSGCOSHPSA-N 1 0 311.813 2.088 50 0 DEAARO Cn1ncc2c1nc(C[N@H+](C1CC1)C1CCCCC1)[nH]c2=O ZINC000052827837 402047456 /nfs/dbraw/zinc/04/74/56/402047456.db2.gz 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COCC[N@@H+](Cc1ccco1)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058305860 402099501 /nfs/dbraw/zinc/09/95/01/402099501.db2.gz OCOWFIXQPSFSPF-HNNXBMFYSA-N 1 0 319.357 2.190 50 0 DEAARO CCOC(=O)N(C)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000097034103 402100999 /nfs/dbraw/zinc/10/09/99/402100999.db2.gz KVSBNGINUFCOKZ-IAGOWNOFSA-N 1 0 318.417 2.197 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000097036844 402101676 /nfs/dbraw/zinc/10/16/76/402101676.db2.gz LIYNXKGJRAPLJU-WBMJQRKESA-N 1 0 324.396 2.458 50 0 DEAARO COC(=O)c1ccc(Cl)c(C[NH2+]C2(C(N)=O)CCCCC2)c1 ZINC000097080429 402104667 /nfs/dbraw/zinc/10/46/67/402104667.db2.gz YWSMFORSQPOKDE-UHFFFAOYSA-N 1 0 324.808 2.404 50 0 DEAARO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1NC(C)=O)C2 ZINC000097084941 402105403 /nfs/dbraw/zinc/10/54/03/402105403.db2.gz XRQHUJURCNKUSC-QAPCUYQASA-N 1 0 316.401 2.420 50 0 DEAARO COc1ccnc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000097086137 402106066 /nfs/dbraw/zinc/10/60/66/402106066.db2.gz UPQNWRUVDCBATH-DYVFJYSZSA-N 1 0 315.417 2.066 50 0 DEAARO Cc1c(C[NH2+]CCc2cccnc2)c(=O)n(-c2ccccc2)n1C ZINC000097139821 402110239 /nfs/dbraw/zinc/11/02/39/402110239.db2.gz IMILELYBWKMZFO-UHFFFAOYSA-N 1 0 322.412 2.212 50 0 DEAARO CCc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)o1 ZINC000097139361 402110467 /nfs/dbraw/zinc/11/04/67/402110467.db2.gz CMQXVNRFEOFZAR-UHFFFAOYSA-N 1 0 318.377 2.057 50 0 DEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccncc1F ZINC000097135832 402110511 /nfs/dbraw/zinc/11/05/11/402110511.db2.gz NYZZYDWNNRYWAT-UHFFFAOYSA-N 1 0 314.364 2.401 50 0 DEAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(C(=O)N(C)C(C)C)cc1 ZINC000097159429 402112153 /nfs/dbraw/zinc/11/21/53/402112153.db2.gz MJTYHCVQMBOJAF-UHFFFAOYSA-N 1 0 300.406 2.488 50 0 DEAARO Cc1nn(CCO)c(C)c1C[NH2+]CCc1cccc2cccnc21 ZINC000097159979 402112982 /nfs/dbraw/zinc/11/29/82/402112982.db2.gz FAOQSWRVFXYICN-UHFFFAOYSA-N 1 0 324.428 2.373 50 0 DEAARO O=C1Cc2ccc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cc2O1 ZINC000097200734 402116297 /nfs/dbraw/zinc/11/62/97/402116297.db2.gz ZVZZMWOTMZNUCX-OAHLLOKOSA-N 1 0 323.396 2.477 50 0 DEAARO C[C@H]([NH3+])C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000097234204 402119235 /nfs/dbraw/zinc/11/92/35/402119235.db2.gz YHIZYRFWZCMAJC-YUMQZZPRSA-N 1 0 307.341 2.215 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054370792 402067328 /nfs/dbraw/zinc/06/73/28/402067328.db2.gz ZOAPWMVEVZKGFG-SNVBAGLBSA-N 1 0 314.227 2.265 50 0 DEAARO Cc1cnc(C[NH2+]CCC(=O)N2CCCc3ccccc32)cn1 ZINC000065404412 402124846 /nfs/dbraw/zinc/12/48/46/402124846.db2.gz SRXIOPFPGQZVRB-UHFFFAOYSA-N 1 0 310.401 2.244 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000097776284 402132164 /nfs/dbraw/zinc/13/21/64/402132164.db2.gz ADRBKJKQZOJZPG-CQSZACIVSA-N 1 0 320.824 2.415 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000098055839 402135470 /nfs/dbraw/zinc/13/54/70/402135470.db2.gz ZRLNNPMCWPVLFF-OAQKJQOQSA-N 1 0 313.195 2.218 50 0 DEAARO CC(C)c1nnsc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000065382934 402124187 /nfs/dbraw/zinc/12/41/87/402124187.db2.gz MJNLTMNEOWYPGM-UHFFFAOYSA-N 1 0 308.451 2.219 50 0 DEAARO C/C=C/c1ccc(OCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC000153628473 402157531 /nfs/dbraw/zinc/15/75/31/402157531.db2.gz RBYBORKQZNQOOH-DLPZHFSESA-N 1 0 318.417 2.316 50 0 DEAARO CCC[NH+]1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000068047685 402183428 /nfs/dbraw/zinc/18/34/28/402183428.db2.gz UYXZOWOSLXGWOY-KRWDZBQOSA-N 1 0 306.450 2.071 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H](C)[NH2+]1 ZINC000154006129 402186642 /nfs/dbraw/zinc/18/66/42/402186642.db2.gz STHGOPDYNJIJBN-GHMZBOCLSA-N 1 0 300.324 2.457 50 0 DEAARO CCn1ccnc1CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000067605022 402164641 /nfs/dbraw/zinc/16/46/41/402164641.db2.gz NVSLPGXJYFMNLS-AWEZNQCLSA-N 1 0 314.437 2.105 50 0 DEAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](C[NH3+])C1 ZINC000067673488 402167258 /nfs/dbraw/zinc/16/72/58/402167258.db2.gz WNZYZRIUHDUECH-AWEZNQCLSA-N 1 0 321.808 2.463 50 0 DEAARO CN(Cc1cc(-c2ccccc2)no1)c1cc(CC[NH3+])ncn1 ZINC000067740355 402170357 /nfs/dbraw/zinc/17/03/57/402170357.db2.gz DSSWHPVPNMHPEI-UHFFFAOYSA-N 1 0 309.373 2.269 50 0 DEAARO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c2cnn(C(C)C)c2n1 ZINC000067742453 402170995 /nfs/dbraw/zinc/17/09/95/402170995.db2.gz BYIQIZQUCPHFRL-ZDUSSCGKSA-N 1 0 315.421 2.002 50 0 DEAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1ccncn1 ZINC000067757429 402171539 /nfs/dbraw/zinc/17/15/39/402171539.db2.gz HVDCIONZZRQHQC-CQSZACIVSA-N 1 0 314.389 2.102 50 0 DEAARO CCc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc(N(C)C)[nH+]1 ZINC000067872779 402177114 /nfs/dbraw/zinc/17/71/14/402177114.db2.gz YLURDBMLQRVPGV-GFCCVEGCSA-N 1 0 300.410 2.212 50 0 DEAARO CCCc1cnc(C)nc1N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000106947801 402224541 /nfs/dbraw/zinc/22/45/41/402224541.db2.gz AQEHGAHGZDGXTC-KRWDZBQOSA-N 1 0 320.481 2.267 50 0 DEAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000069463770 402225144 /nfs/dbraw/zinc/22/51/44/402225144.db2.gz LUXKYSZNDKPHBF-GJZGRUSLSA-N 1 0 314.437 2.321 50 0 DEAARO CC(C)(C)c1nc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000069463355 402225299 /nfs/dbraw/zinc/22/52/99/402225299.db2.gz ZIWSAMGFANVDMT-NSHDSACASA-N 1 0 307.463 2.336 50 0 DEAARO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000069519488 402228546 /nfs/dbraw/zinc/22/85/46/402228546.db2.gz UNHJZXAFSXWMIA-CYBMUJFWSA-N 1 0 316.323 2.338 50 0 DEAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000069704464 402240129 /nfs/dbraw/zinc/24/01/29/402240129.db2.gz KIPBZUCKVJFOHN-YPMHNXCESA-N 1 0 301.365 2.460 50 0 DEAARO CCc1nc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cs1 ZINC000069815001 402245986 /nfs/dbraw/zinc/24/59/86/402245986.db2.gz GHBAXJXQSVGISA-KBPBESRZSA-N 1 0 307.463 2.333 50 0 DEAARO CC[C@@H]1CN([C@@H](C)c2nc(C3CC3)no2)CC[N@@H+]1CCOC ZINC000069842254 402246697 /nfs/dbraw/zinc/24/66/97/402246697.db2.gz USWGLHGSCKDTSJ-GXTWGEPZSA-N 1 0 308.426 2.051 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 ZINC000069872152 402248550 /nfs/dbraw/zinc/24/85/50/402248550.db2.gz LDSAASRJMSNETF-IRXDYDNUSA-N 1 0 301.434 2.408 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000125843789 402252808 /nfs/dbraw/zinc/25/28/08/402252808.db2.gz HYPURGOTCVKTTP-NSHDSACASA-N 1 0 319.405 2.307 50 0 DEAARO COCC[NH+]1CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000069952078 402253024 /nfs/dbraw/zinc/25/30/24/402253024.db2.gz WXGGAPSFVQXJTI-UHFFFAOYSA-N 1 0 312.841 2.373 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2cccc(F)c2)C[C@@H]1C ZINC000069951953 402253194 /nfs/dbraw/zinc/25/31/94/402253194.db2.gz MUVHNFPPIMFMJJ-HNNXBMFYSA-N 1 0 310.413 2.247 50 0 DEAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000070012606 402254831 /nfs/dbraw/zinc/25/48/31/402254831.db2.gz YBUZEZKWYNIDBY-QGZVFWFLSA-N 1 0 312.417 2.263 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000070017311 402255359 /nfs/dbraw/zinc/25/53/59/402255359.db2.gz WRERNDMFHWMKLV-OAHLLOKOSA-N 1 0 300.406 2.001 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000070173450 402258370 /nfs/dbraw/zinc/25/83/70/402258370.db2.gz LHOCAUSNPDVUIH-NXEZZACHSA-N 1 0 320.817 2.227 50 0 DEAARO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)c1ccc[nH]1 ZINC000071278760 402271944 /nfs/dbraw/zinc/27/19/44/402271944.db2.gz IFZIJDIJZSFFMX-ZDUSSCGKSA-N 1 0 301.365 2.406 50 0 DEAARO CC(C)C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccnc(N)c2)C1 ZINC000071278652 402272067 /nfs/dbraw/zinc/27/20/67/402272067.db2.gz VIHBRUXQXSWGQZ-AWEZNQCLSA-N 1 0 304.438 2.152 50 0 DEAARO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000071385399 402273996 /nfs/dbraw/zinc/27/39/96/402273996.db2.gz JENUAEOIASMZQG-AWEZNQCLSA-N 1 0 304.390 2.452 50 0 DEAARO CC(C)n1cncc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000215169871 402280791 /nfs/dbraw/zinc/28/07/91/402280791.db2.gz SEKMKQWYHBDSSM-MRXNPFEDSA-N 1 0 317.437 2.143 50 0 DEAARO O=C(c1cnn(Cc2ccccc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000071821351 402282505 /nfs/dbraw/zinc/28/25/05/402282505.db2.gz LZKHAQGGNPOOMO-UHFFFAOYSA-N 1 0 324.428 2.099 50 0 DEAARO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000071841078 402287813 /nfs/dbraw/zinc/28/78/13/402287813.db2.gz HGDRIJZDJTZGEY-INIZCTEOSA-N 1 0 317.433 2.463 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000071850309 402288001 /nfs/dbraw/zinc/28/80/01/402288001.db2.gz NBSNVUZAVYATPS-UHFFFAOYSA-N 1 0 320.433 2.191 50 0 DEAARO CN(CCCc1ccccc1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219015855 402296989 /nfs/dbraw/zinc/29/69/89/402296989.db2.gz GEWDVKONEKBDNP-UHFFFAOYSA-N 1 0 311.433 2.333 50 0 DEAARO COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000222195257 402306001 /nfs/dbraw/zinc/30/60/01/402306001.db2.gz DAMNTHXNSLVQDP-OWCLPIDISA-N 1 0 322.449 2.053 50 0 DEAARO C[C@H](C(=O)N1CCc2ccccc21)N1CCc2cc[nH]c(=O)c2C1 ZINC000225421264 402317165 /nfs/dbraw/zinc/31/71/65/402317165.db2.gz CRMPRHKTEKFTRE-CYBMUJFWSA-N 1 0 323.396 2.123 50 0 DEAARO Cc1cccc(C)c1[C@H](C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000225472172 402318677 /nfs/dbraw/zinc/31/86/77/402318677.db2.gz FSOKCVAQQMVZTM-INIZCTEOSA-N 1 0 319.449 2.386 50 0 DEAARO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000229315529 402341852 /nfs/dbraw/zinc/34/18/52/402341852.db2.gz SDUDYHSDRJIMAP-WBVHZDCISA-N 1 0 324.490 2.269 50 0 DEAARO Cc1ccc(CN(C(=O)CN2CCO[C@@H]3CCC[C@H]32)C2CC2)o1 ZINC000230082258 402347443 /nfs/dbraw/zinc/34/74/43/402347443.db2.gz TXLJRCWCFMHGPB-IAGOWNOFSA-N 1 0 318.417 2.332 50 0 DEAARO Cc1ncsc1CC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000244866392 402450043 /nfs/dbraw/zinc/45/00/43/402450043.db2.gz VVJXAJWFZWEZNG-UHFFFAOYSA-N 1 0 304.419 2.350 50 0 DEAARO CC(=O)N[C@H]1CCCN(Cc2nc3c(ccc(C)c3C)[nH]2)C1 ZINC000244882704 402450822 /nfs/dbraw/zinc/45/08/22/402450822.db2.gz XWXAWKUYHFHTHB-AWEZNQCLSA-N 1 0 300.406 2.280 50 0 DEAARO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000237956491 402427672 /nfs/dbraw/zinc/42/76/72/402427672.db2.gz VKDOKPBJPSNJKH-QGZVFWFLSA-N 1 0 314.360 2.498 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 ZINC000238045968 402434553 /nfs/dbraw/zinc/43/45/53/402434553.db2.gz IFOHTXNWLNNGJA-HMDXOVGESA-N 1 0 315.236 2.474 50 0 DEAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000238057287 402435095 /nfs/dbraw/zinc/43/50/95/402435095.db2.gz UHPIOMQNFGYBQV-SNVBAGLBSA-N 1 0 323.245 2.246 50 0 DEAARO Cc1ccc(OCC[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)c(C)c1 ZINC000244708103 402447741 /nfs/dbraw/zinc/44/77/41/402447741.db2.gz KNNLDLNYYSITBR-CVEARBPZSA-N 1 0 302.418 2.283 50 0 DEAARO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000244723953 402448436 /nfs/dbraw/zinc/44/84/36/402448436.db2.gz MKVBYHZAFICMER-HNNXBMFYSA-N 1 0 307.825 2.449 50 0 DEAARO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OC1CCCC1 ZINC000178551369 402511101 /nfs/dbraw/zinc/51/11/01/402511101.db2.gz LZNIZJVGZUJDIW-ZDUSSCGKSA-N 1 0 318.417 2.437 50 0 DEAARO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCN(c2ccc(F)cc2)CC1 ZINC000167049777 402489313 /nfs/dbraw/zinc/48/93/13/402489313.db2.gz SOXXGOOWPMLXSK-KRWDZBQOSA-N 1 0 319.424 2.395 50 0 DEAARO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000170084840 402503045 /nfs/dbraw/zinc/50/30/45/402503045.db2.gz BDVZMDOMIOEKJN-UHFFFAOYSA-N 1 0 310.332 2.016 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000178963044 402559678 /nfs/dbraw/zinc/55/96/78/402559678.db2.gz YGSJJQHLMFGUPL-JTQLQIEISA-N 1 0 317.216 2.440 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000179013223 402564564 /nfs/dbraw/zinc/56/45/64/402564564.db2.gz MRARKRNHTXDHOP-LLVKDONJSA-N 1 0 302.378 2.028 50 0 DEAARO COCC[N@H+](C)CCNC(=O)c1ccc(Cl)c2ncccc12 ZINC000252483816 402654956 /nfs/dbraw/zinc/65/49/56/402654956.db2.gz FIZDLBWRKPCRCE-UHFFFAOYSA-N 1 0 321.808 2.196 50 0 DEAARO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000191334058 402661404 /nfs/dbraw/zinc/66/14/04/402661404.db2.gz WMLKVPZYUCQDNK-QGZVFWFLSA-N 1 0 318.465 2.318 50 0 DEAARO CCn1nccc1CC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000253420402 402665262 /nfs/dbraw/zinc/66/52/62/402665262.db2.gz IGKPBJLBCZGWAM-MRXNPFEDSA-N 1 0 316.453 2.066 50 0 DEAARO CC(C)CC(=O)N1C[C@@H]2C[N@@H+](C3CCCC3)CC[C@]2(CO)C1 ZINC000257174801 402700028 /nfs/dbraw/zinc/70/00/28/402700028.db2.gz KXGQWGRMXGLOML-MAUKXSAKSA-N 1 0 308.466 2.118 50 0 DEAARO Cc1noc([C@H]2C[N@@H+](Cc3cnn(C)c3)CC23CCCC3)n1 ZINC000257173999 402700209 /nfs/dbraw/zinc/70/02/09/402700209.db2.gz BDZCECXHEQBYEK-CQSZACIVSA-N 1 0 301.394 2.271 50 0 DEAARO C[C@H](CNC(=O)Nc1cnns1)[N@@H+]1CCc2ccccc2C1 ZINC000192323807 402722459 /nfs/dbraw/zinc/72/24/59/402722459.db2.gz DWAFQQWYQLMHBK-LLVKDONJSA-N 1 0 317.418 2.106 50 0 DEAARO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1cc(C)oc1C ZINC000195536337 402850754 /nfs/dbraw/zinc/85/07/54/402850754.db2.gz CGOFNMXLHUOTKZ-NVXWUHKLSA-N 1 0 308.422 2.095 50 0 DEAARO CC(C)(C(=O)N1CCC(OCCC[NH3+])CC1)c1cccc(F)c1 ZINC000195543028 402850891 /nfs/dbraw/zinc/85/08/91/402850891.db2.gz NRZDYJSZVKUOMC-UHFFFAOYSA-N 1 0 322.424 2.460 50 0 DEAARO C[C@H]1CN(c2ncccc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000275670307 403114028 /nfs/dbraw/zinc/11/40/28/403114028.db2.gz ZMCHOSZDNGZVOI-NSHDSACASA-N 1 0 317.355 2.382 50 0 DEAARO Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(C)c(OCCC[NH3+])c2)n1 ZINC000299756829 403566687 /nfs/dbraw/zinc/56/66/87/403566687.db2.gz HOFSORPQPWEPIS-CYBMUJFWSA-N 1 0 316.405 2.245 50 0 DEAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(O)CC1 ZINC000299761931 403567979 /nfs/dbraw/zinc/56/79/79/403567979.db2.gz ZFBUHOBBGMYBSY-KSZLIROESA-N 1 0 314.429 2.195 50 0 DEAARO Cn1ccnc1CCC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000299760973 403568008 /nfs/dbraw/zinc/56/80/08/403568008.db2.gz QAKDRKJTDLCCMS-UHFFFAOYSA-N 1 0 301.350 2.128 50 0 DEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]nc4ncccc34)[C@H]2C1 ZINC000299772186 403570306 /nfs/dbraw/zinc/57/03/06/403570306.db2.gz RUCDLFGMXVMRKV-ISTRZQFTSA-N 1 0 316.405 2.116 50 0 DEAARO COc1ccccc1NC(=O)c1cc(C[NH3+])cc(NC(C)=O)c1 ZINC000299777374 403572251 /nfs/dbraw/zinc/57/22/51/403572251.db2.gz NRZDMJKHEMFCSH-UHFFFAOYSA-N 1 0 313.357 2.365 50 0 DEAARO O=C(CCc1ccccc1F)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000299789143 403575561 /nfs/dbraw/zinc/57/55/61/403575561.db2.gz WIGFBGLQGGECLB-IRXDYDNUSA-N 1 0 320.408 2.128 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)CC[N@@H+](C2CC2)C1 ZINC000333111205 403668269 /nfs/dbraw/zinc/66/82/69/403668269.db2.gz SDAYSDNMASDKJE-ZDUSSCGKSA-N 1 0 312.417 2.048 50 0 DEAARO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCN1CCNC1=O ZINC000343764322 403722703 /nfs/dbraw/zinc/72/27/03/403722703.db2.gz KPVAEATXSGHFOW-INIZCTEOSA-N 1 0 303.406 2.030 50 0 DEAARO O=C(Cc1cc(F)ccc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290222634 404087036 /nfs/dbraw/zinc/08/70/36/404087036.db2.gz TWHZUONETFNPKB-ZDUSSCGKSA-N 1 0 308.372 2.355 50 0 DEAARO CC(C)c1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)nc1 ZINC000290513011 404200195 /nfs/dbraw/zinc/20/01/95/404200195.db2.gz UBPVWAKJEJHUBI-HNNXBMFYSA-N 1 0 319.449 2.436 50 0 DEAARO c1ccc([C@@H](NCc2nnc3n2CCCC3)[C@H]2CCOC2)cc1 ZINC000329386146 404321422 /nfs/dbraw/zinc/32/14/22/404321422.db2.gz POMPOMATELMCFR-MAUKXSAKSA-N 1 0 312.417 2.482 50 0 DEAARO Cc1ccccc1-n1c(C[NH3+])nnc1SC[C@H]1CCOC1 ZINC000426359502 405354287 /nfs/dbraw/zinc/35/42/87/405354287.db2.gz INETXRGSJXGYBS-LBPRGKRZSA-N 1 0 304.419 2.163 50 0 DEAARO Cn1c(SC[C@H](O)c2ccccc2)nnc1C1CC[NH2+]CC1 ZINC000426471668 405362199 /nfs/dbraw/zinc/36/21/99/405362199.db2.gz SCNSTHIQZHXGKZ-AWEZNQCLSA-N 1 0 318.446 2.108 50 0 DEAARO Cc1ccc(F)c(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000426470832 405362324 /nfs/dbraw/zinc/36/23/24/405362324.db2.gz NENYSTUUUTYRJU-GFCCVEGCSA-N 1 0 309.360 2.263 50 0 DEAARO COc1ccnc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426478128 405362436 /nfs/dbraw/zinc/36/24/36/405362436.db2.gz QAOBTYZDPSQVPE-ZDUSSCGKSA-N 1 0 303.406 2.085 50 0 DEAARO [NH3+]Cc1nnc(SC[C@@H]2CCCO2)n1-c1ccc(F)cc1 ZINC000426474153 405362628 /nfs/dbraw/zinc/36/26/28/405362628.db2.gz GEMLVWJDISYCRB-LBPRGKRZSA-N 1 0 308.382 2.136 50 0 DEAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NCC(F)(F)F ZINC000426510612 405365384 /nfs/dbraw/zinc/36/53/84/405365384.db2.gz JTVHYUXWEAWLQO-UHFFFAOYSA-N 1 0 301.312 2.336 50 0 DEAARO CCn1ncc(CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000426588954 405370332 /nfs/dbraw/zinc/37/03/32/405370332.db2.gz JMNCLXMSVCEHTE-MRXNPFEDSA-N 1 0 306.454 2.434 50 0 DEAARO C[C@@H](C(=O)N(Cc1ccncc1)Cc1ccc(O)cc1)[NH+](C)C ZINC000426684439 405374595 /nfs/dbraw/zinc/37/45/95/405374595.db2.gz LWGSICWZQCDQQQ-AWEZNQCLSA-N 1 0 313.401 2.266 50 0 DEAARO Cc1ccc(C(=O)N(C)[C@@H](C)c2ccon2)cc1OCC[NH3+] ZINC000426705681 405375063 /nfs/dbraw/zinc/37/50/63/405375063.db2.gz KCZZXBRBZXSMAU-LBPRGKRZSA-N 1 0 303.362 2.154 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000585123979 405873661 /nfs/dbraw/zinc/87/36/61/405873661.db2.gz WSFUBGYLJVBSLG-UHFFFAOYSA-N 1 0 322.836 2.206 50 0 DEAARO C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000585132359 405875113 /nfs/dbraw/zinc/87/51/13/405875113.db2.gz UVALFJZCGGTJAN-QGZVFWFLSA-N 1 0 318.461 2.170 50 0 DEAARO CCc1ccccc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000585115065 405868691 /nfs/dbraw/zinc/86/86/91/405868691.db2.gz KWXXKUMYJBGIRA-UHFFFAOYSA-N 1 0 322.474 2.355 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000585117524 405870146 /nfs/dbraw/zinc/87/01/46/405870146.db2.gz JMCLPXUWLYGIKI-UAGQMJEPSA-N 1 0 324.490 2.235 50 0 DEAARO CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(=O)N1CCOCC1 ZINC000488411744 406318317 /nfs/dbraw/zinc/31/83/17/406318317.db2.gz KQWCDCVJIQJWRM-IHRRRGAJSA-N 1 0 314.495 2.134 50 0 DEAARO COC(=O)c1cc(CN2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000575363229 406806717 /nfs/dbraw/zinc/80/67/17/406806717.db2.gz HUNPCFXEHQGDEF-UHFFFAOYSA-N 1 0 316.323 2.239 50 0 DEAARO O=C(NCc1cccs1)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575415569 406810028 /nfs/dbraw/zinc/81/00/28/406810028.db2.gz AJSQGTCUTWBKEO-AWEZNQCLSA-N 1 0 323.462 2.048 50 0 DEAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000131706585 196192732 /nfs/dbraw/zinc/19/27/32/196192732.db2.gz POGJRVZKPAIGEZ-JTQLQIEISA-N 1 0 309.218 2.105 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000132957655 196299467 /nfs/dbraw/zinc/29/94/67/196299467.db2.gz OOHFVAOVAVGNME-HNNXBMFYSA-N 1 0 311.389 2.044 50 0 DEAARO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(F)c(Cl)c1 ZINC000239287387 225213795 /nfs/dbraw/zinc/21/37/95/225213795.db2.gz CRPQIFAPBPUTDK-LBPRGKRZSA-N 1 0 311.788 2.198 50 0 DEAARO CC[C@H](CNC(=O)Nc1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000046309956 424820647 /nfs/dbraw/zinc/82/06/47/424820647.db2.gz ISYICONMCVXADS-MRXNPFEDSA-N 1 0 313.405 2.368 50 0 DEAARO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)OCO2 ZINC000048346018 424832783 /nfs/dbraw/zinc/83/27/83/424832783.db2.gz XNHIJQSOYQUIGC-LSDHHAIUSA-N 1 0 313.353 2.042 50 0 DEAARO COc1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000047700412 424827990 /nfs/dbraw/zinc/82/79/90/424827990.db2.gz RVLFQKIPXWHNKZ-HNNXBMFYSA-N 1 0 301.342 2.247 50 0 DEAARO CSc1ccccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000048284712 424832220 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C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)[C@@H]1C[NH3+] ZINC000237449570 274289869 /nfs/dbraw/zinc/28/98/69/274289869.db2.gz MGDMHOGPHQAMNG-MLGOLLRUSA-N 1 0 316.380 2.211 50 0 DEAARO Cc1cc(C)n(-c2nc3ccccc3nc2N2CC[NH+](C)CC2)n1 ZINC000004828507 274692352 /nfs/dbraw/zinc/69/23/52/274692352.db2.gz GEOPRPDHIVAMMU-UHFFFAOYSA-N 1 0 322.416 2.184 50 0 DEAARO CC(C)C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccnnc3)C2)CC1 ZINC000012704753 275885569 /nfs/dbraw/zinc/88/55/69/275885569.db2.gz HDNMRTIABRNGSZ-QGZVFWFLSA-N 1 0 316.449 2.307 50 0 DEAARO CC(C)N1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)C1=O ZINC000192794126 275948703 /nfs/dbraw/zinc/94/87/03/275948703.db2.gz LJYHPLINNRDHOP-JYJNAYRXSA-N 1 0 304.438 2.356 50 0 DEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1scc2c1CCCC2 ZINC000222407207 276878705 /nfs/dbraw/zinc/87/87/05/276878705.db2.gz BTNMQBKRGYUTID-LXTVHRRPSA-N 1 0 320.458 2.074 50 0 DEAARO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006455336 277080570 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CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000058209693 280218481 /nfs/dbraw/zinc/21/84/81/280218481.db2.gz JUAAMOIEKHZJIT-LSDHHAIUSA-N 1 0 303.406 2.230 50 0 DEAARO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)cn1 ZINC000075132750 281560834 /nfs/dbraw/zinc/56/08/34/281560834.db2.gz FEQVWXVBNPVVSS-HNNXBMFYSA-N 1 0 314.437 2.187 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000261985695 298973316 /nfs/dbraw/zinc/97/33/16/298973316.db2.gz SFGNBSBZJJAFAG-WFASDCNBSA-N 1 0 319.430 2.125 50 0 DEAARO O=C(Nc1ccc2c(c1)CCO2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000574126522 326124429 /nfs/dbraw/zinc/12/44/29/326124429.db2.gz CFAJPXOMIFWEPN-IBGZPJMESA-N 1 0 308.381 2.491 50 0 DEAARO CSCC(=O)N[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1C1CC1 ZINC000091254359 332102293 /nfs/dbraw/zinc/10/22/93/332102293.db2.gz NLGFFYLIFGPNLQ-CVEARBPZSA-N 1 0 319.474 2.080 50 0 DEAARO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(OC)c1)CC2 ZINC000253431185 333771555 /nfs/dbraw/zinc/77/15/55/333771555.db2.gz 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CC(C)(C)CN1CCC[C@@](O)(C[NH2+]Cc2ccccc2F)C1=O ZINC000014949282 683850267 /nfs/dbraw/zinc/85/02/67/683850267.db2.gz VYWVYLYZTOQSNO-GOSISDBHSA-N 1 0 322.424 2.315 50 0 DEAARO CNC(=O)c1ccc(-c2ccccc2CN2CCOCC2)o1 ZINC000032511843 683877729 /nfs/dbraw/zinc/87/77/29/683877729.db2.gz LUSQKHQPPOPPCH-UHFFFAOYSA-N 1 0 300.358 2.138 50 0 DEAARO COc1ccc2ncn(CC[C@@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000032537264 683878255 /nfs/dbraw/zinc/87/82/55/683878255.db2.gz OQLQWEPPOFXQCI-ZDUSSCGKSA-N 1 0 301.390 2.280 50 0 DEAARO COc1ncc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cn1 ZINC000071748276 683927761 /nfs/dbraw/zinc/92/77/61/683927761.db2.gz PCKKBIJOAGLLDJ-QGZVFWFLSA-N 1 0 318.465 2.428 50 0 DEAARO Cc1cccc([C@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1C ZINC000863981879 686602208 /nfs/dbraw/zinc/60/22/08/686602208.db2.gz QKSHAAXAQIQOQY-YJBOKZPZSA-N 1 0 304.434 2.327 50 0 DEAARO Cn1cc([C@H](O)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)cn1 ZINC000863982348 686602735 /nfs/dbraw/zinc/60/27/35/686602735.db2.gz DVUYFXSEVZQPLC-ILXRZTDVSA-N 1 0 307.438 2.169 50 0 DEAARO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000877871872 690250610 /nfs/dbraw/zinc/25/06/10/690250610.db2.gz VZHPMXGUGSYYQS-CYBMUJFWSA-N 1 0 317.332 2.156 50 0 DEAARO c1cn(Cc2noc([C@H]3CCCN3Cc3ccccc3)n2)nn1 ZINC000585120361 790316722 /nfs/dbraw/zinc/31/67/22/790316722.db2.gz JONODQPPMIDPQR-CQSZACIVSA-N 1 0 310.361 2.047 50 0 DEAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1cncn1C ZINC000585127363 790321809 /nfs/dbraw/zinc/32/18/09/790321809.db2.gz YLYBFQJMRGAFPK-WMZOPIPTSA-N 1 0 324.428 2.106 50 0 DEAARO CC(C)C(=O)N1CC(c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000575542296 780181097 /nfs/dbraw/zinc/18/10/97/780181097.db2.gz OCUWSXLAYMYZGK-AWEZNQCLSA-N 1 0 318.421 2.198 50 0 DEAARO COCC1(C[NH2+][C@H](C)Cn2cnc3ccccc3c2=O)CCC1 ZINC000824347132 783592374 /nfs/dbraw/zinc/59/23/74/783592374.db2.gz PTFQOTFDOPQXKT-CQSZACIVSA-N 1 0 315.417 2.191 50 0 DEAARO OC[C@H]1CCC[N@H+](CCCNc2nccc3cccnc32)C1 ZINC000828711184 783842371 /nfs/dbraw/zinc/84/23/71/783842371.db2.gz ODIGYIRHLRYLGT-AWEZNQCLSA-N 1 0 300.406 2.136 50 0 DEAARO CC[C@@H](C)Cc1nc(-c2ccc(CC[NH3+])cc2)n(CCO)n1 ZINC000828778327 783850064 /nfs/dbraw/zinc/85/00/64/783850064.db2.gz GSTYICZYKKTQJF-CYBMUJFWSA-N 1 0 302.422 2.027 50 0 DEAARO CCNC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCCCC1)CCO2 ZINC000581784106 784777198 /nfs/dbraw/zinc/77/71/98/784777198.db2.gz DFIFAAYELVQXRP-OAHLLOKOSA-N 1 0 309.454 2.215 50 0 DEAARO COCCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCCCC1)CCO2 ZINC000581784303 784778082 /nfs/dbraw/zinc/77/80/82/784778082.db2.gz QIOSUTMZCHIDSC-INIZCTEOSA-N 1 0 324.465 2.049 50 0 DEAARO O=C(Cc1cccnc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581798670 784779240 /nfs/dbraw/zinc/77/92/40/784779240.db2.gz UCEURBARLFQSJY-RTBURBONSA-N 1 0 321.424 2.357 50 0 DEAARO CC(C)CC(=O)N1CCC2(C[N@@H+](C3CCC3)C[C@@H]2CO)CC1 ZINC000581801198 784781114 /nfs/dbraw/zinc/78/11/14/784781114.db2.gz FVJDAKWHLPWOSL-OAHLLOKOSA-N 1 0 308.466 2.118 50 0 DEAARO CCn1nccc1C(=O)N1CCC(CC2CC2)([NH+](C)C)CC1 ZINC000581811156 784783210 /nfs/dbraw/zinc/78/32/10/784783210.db2.gz QIVPVQBTXKEPSV-UHFFFAOYSA-N 1 0 304.438 2.240 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)c2ccoc2)C1)C1CCOCC1 ZINC000581794391 784783516 /nfs/dbraw/zinc/78/35/16/784783516.db2.gz CSAAKBYUVOIXKA-UHFFFAOYSA-N 1 0 306.406 2.241 50 0 DEAARO Cn1cc(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)nn1 ZINC000585089159 789691556 /nfs/dbraw/zinc/69/15/56/789691556.db2.gz QMWMAVPPXPEXJK-UHFFFAOYSA-N 1 0 316.739 2.402 50 0 DEAARO CC(C)C[NH+]1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000585501077 791836021 /nfs/dbraw/zinc/83/60/21/791836021.db2.gz VTFZGENILQMHIR-UHFFFAOYSA-N 1 0 303.450 2.490 50 0 DEAARO COC(=O)CCc1cncc(NC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)c1 ZINC000952849688 792775941 /nfs/dbraw/zinc/77/59/41/792775941.db2.gz QBMXPLKWGFQJAI-PXAZEXFGSA-N 1 0 319.405 2.033 50 0 DEAARO CCCC[C@@H]1C(=O)N(C)CCN1CC(C)(C)C[NH+]1CCCC1 ZINC000952860119 792782780 /nfs/dbraw/zinc/78/27/80/792782780.db2.gz FHIWYTWTSVBYGO-MRXNPFEDSA-N 1 0 309.498 2.441 50 0 DEAARO Fc1ccccc1-c1noc(C2C[NH+](C3CCOCC3)C2)n1 ZINC000952881111 792795851 /nfs/dbraw/zinc/79/58/51/792795851.db2.gz FFEQCRFFARXUNM-UHFFFAOYSA-N 1 0 303.337 2.454 50 0 DEAARO O=C(c1ccc2nsnc2c1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828168683 799509457 /nfs/dbraw/zinc/50/94/57/799509457.db2.gz KWENAZOIBMFRPK-UHFFFAOYSA-N 1 0 316.430 2.392 50 0 DEAARO O=C1CCC2(CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)CN1 ZINC001506407706 1061947343 /nfs/dbraw/zinc/94/73/43/1061947343.db2.gz KYSZYLFDMHHNIA-QGZVFWFLSA-N 1 0 313.445 2.258 50 0 DEAARO Cc1cccnc1CC[NH2+][C@H]1CCC(=O)N(CC2CC2)CC1 ZINC001506413780 1061955601 /nfs/dbraw/zinc/95/56/01/1061955601.db2.gz KZFKGAXZCYQPEE-INIZCTEOSA-N 1 0 301.434 2.313 50 0 DEAARO COc1ccc([C@@H](C)[N@H+](C)CCn2cnnc2C)c(OC)c1 ZINC001506416681 1061960595 /nfs/dbraw/zinc/96/05/95/1061960595.db2.gz KOGLQYFIZWYZCH-GFCCVEGCSA-N 1 0 304.394 2.297 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1c(-c2ccccc2)c(C)nn1C ZINC001506418428 1061963445 /nfs/dbraw/zinc/96/34/45/1061963445.db2.gz SNVORMMOMGQIKN-ZDUSSCGKSA-N 1 0 318.446 2.414 50 0 DEAARO CCc1nccn1C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000823557449 1090688457 /nfs/dbraw/zinc/68/84/57/1090688457.db2.gz QQBJKCVEHKIYHN-OAHLLOKOSA-N 1 0 320.481 2.461 50 0 DEAARO Cc1nc(C2(O)CC[NH+](C)CC2)n(-c2ccc(Cl)cc2C)n1 ZINC000823761169 1090697189 /nfs/dbraw/zinc/69/71/89/1090697189.db2.gz PEHYZEGTNVNYKY-UHFFFAOYSA-N 1 0 320.824 2.451 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)[C@@H](c1ccccc1C)N(C)C ZINC000095525555 185378108 /nfs/dbraw/zinc/37/81/08/185378108.db2.gz QCVZIKKFUBEMMI-MRXNPFEDSA-N 1 0 305.466 2.444 50 0 DEAARO CC(C)n1ncc2cc(C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)cnc21 ZINC000078895071 185123913 /nfs/dbraw/zinc/12/39/13/185123913.db2.gz JNTOHUZGFXLOTC-IUODEOHRSA-N 1 0 315.421 2.034 50 0 DEAARO C[C@H](CNC(=O)NCc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000078923925 185129844 /nfs/dbraw/zinc/12/98/44/185129844.db2.gz LEBJLJNYXCLUPV-OAHLLOKOSA-N 1 0 312.417 2.401 50 0 DEAARO CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079101869 185158373 /nfs/dbraw/zinc/15/83/73/185158373.db2.gz UUAMPYXXMIQLRI-AWEZNQCLSA-N 1 0 305.422 2.206 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000625341557 365737463 /nfs/dbraw/zinc/73/74/63/365737463.db2.gz SGCHLEXHAOBNNW-OLZOCXBDSA-N 1 0 310.467 2.398 50 0 DEAARO COCC[NH2+]CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000092495566 185322435 /nfs/dbraw/zinc/32/24/35/185322435.db2.gz ZHOVYSZKLZYMGO-UHFFFAOYSA-N 1 0 300.786 2.302 50 0 DEAARO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CN(C)c1ccccc1 ZINC000095398565 185353417 /nfs/dbraw/zinc/35/34/17/185353417.db2.gz VSNHBYYRQNEGNP-MRXNPFEDSA-N 1 0 310.463 2.022 50 0 DEAARO O=C(NCc1ccon1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000095406234 185355967 /nfs/dbraw/zinc/35/59/67/185355967.db2.gz PPYORCRBHPSOHT-UHFFFAOYSA-N 1 0 314.389 2.270 50 0 DEAARO CCSc1ccc(C(=O)NCc2cc3n(n2)CC[NH2+]C3)s1 ZINC000082147009 192362364 /nfs/dbraw/zinc/36/23/64/192362364.db2.gz KNHRONFBRSNJMN-UHFFFAOYSA-N 1 0 322.459 2.090 50 0 DEAARO COC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2OC)CC1 ZINC000095420810 185360538 /nfs/dbraw/zinc/36/05/38/185360538.db2.gz GTPDCORHOIIZHR-ZDUSSCGKSA-N 1 0 306.406 2.447 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCCN2CCC2)C1 ZINC000095452893 185369462 /nfs/dbraw/zinc/36/94/62/185369462.db2.gz HXDIUSUVDCAHTC-HNNXBMFYSA-N 1 0 311.470 2.319 50 0 DEAARO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000095437667 185365533 /nfs/dbraw/zinc/36/55/33/185365533.db2.gz QIKRVBKPCNWHMZ-XHSDSOJGSA-N 1 0 321.465 2.118 50 0 DEAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C)sc2n1 ZINC000043272876 539336550 /nfs/dbraw/zinc/33/65/50/539336550.db2.gz WYMHSRBLKWRCHZ-UHFFFAOYSA-N 1 0 314.414 2.482 50 0 DEAARO CSC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000097017021 185397600 /nfs/dbraw/zinc/39/76/00/185397600.db2.gz OIDKATXVOUGXFU-NHYWBVRUSA-N 1 0 314.426 2.246 50 0 DEAARO C[NH2+][C@@H]1CCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 ZINC000097019473 185397954 /nfs/dbraw/zinc/39/79/54/185397954.db2.gz XKTKSKUWONRWDU-CQSZACIVSA-N 1 0 324.428 2.103 50 0 DEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(F)c1 ZINC000097022452 185398404 /nfs/dbraw/zinc/39/84/04/185398404.db2.gz OODSQQFPHXUWGC-UHFFFAOYSA-N 1 0 317.364 2.130 50 0 DEAARO COCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)C1CCCC1 ZINC000078519900 539367968 /nfs/dbraw/zinc/36/79/68/539367968.db2.gz ZEJNHOSWJSXECD-UHFFFAOYSA-N 1 0 315.417 2.394 50 0 DEAARO O=C(NCC1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000170048072 197766077 /nfs/dbraw/zinc/76/60/77/197766077.db2.gz UULOAUANGFUZQI-UHFFFAOYSA-N 1 0 315.186 2.318 50 0 DEAARO Cc1noc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000084286804 539394219 /nfs/dbraw/zinc/39/42/19/539394219.db2.gz CITYCHPWIMSWNR-AWEZNQCLSA-N 1 0 312.373 2.012 50 0 DEAARO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000084490445 539395732 /nfs/dbraw/zinc/39/57/32/539395732.db2.gz CTINUQDOEPQRCV-KSSFIOAISA-N 1 0 316.401 2.020 50 0 DEAARO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000084697686 539398486 /nfs/dbraw/zinc/39/84/86/539398486.db2.gz BQPPBOVWVQYVIZ-HIFRSBDPSA-N 1 0 303.406 2.305 50 0 DEAARO O=C(COc1cccnc1)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000067654094 190713088 /nfs/dbraw/zinc/71/30/88/190713088.db2.gz CLYRNEZPYNDDRO-UHFFFAOYSA-N 1 0 317.433 2.375 50 0 DEAARO Cc1nn(C)c(Cl)c1/C=C\C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000254290001 282599886 /nfs/dbraw/zinc/59/98/86/282599886.db2.gz HMLXXHAAPVWQLL-MPBQIQEOSA-N 1 0 324.856 2.384 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)n1 ZINC000083851165 192385915 /nfs/dbraw/zinc/38/59/15/192385915.db2.gz MGCBZTYZVHFPBH-ZIAGYGMSSA-N 1 0 305.426 2.241 50 0 DEAARO CC[C@H]1CN(Cc2ccc(O)c(C(=O)OC)c2)CC[N@@H+]1C(C)C ZINC000072138929 191047626 /nfs/dbraw/zinc/04/76/26/191047626.db2.gz YRCYOEWJEQLDPP-HNNXBMFYSA-N 1 0 320.433 2.483 50 0 DEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)ccc1F ZINC000072168917 191068639 /nfs/dbraw/zinc/06/86/39/191068639.db2.gz VRYFKQXIWAHKNS-INIZCTEOSA-N 1 0 320.408 2.195 50 0 DEAARO CC1(C)[C@H]([NH2+]CCNC(=O)CC2CCCC2)[C@H]2CCCO[C@H]21 ZINC000253370995 186301979 /nfs/dbraw/zinc/30/19/79/186301979.db2.gz ZGPLZSQPINDOCW-DJIMGWMZSA-N 1 0 308.466 2.476 50 0 DEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000072428870 191161777 /nfs/dbraw/zinc/16/17/77/191161777.db2.gz UTOALLXIOXTJKY-INIZCTEOSA-N 1 0 304.434 2.230 50 0 DEAARO Cc1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH]n1 ZINC000072434338 191166211 /nfs/dbraw/zinc/16/62/11/191166211.db2.gz BRJUDRFMESDHIJ-UHFFFAOYSA-N 1 0 324.428 2.033 50 0 DEAARO O=C1CC[C@@]2(CCC[N@@H+](CCCO)C2)CN1Cc1ccccc1 ZINC000072429390 191163276 /nfs/dbraw/zinc/16/32/76/191163276.db2.gz FXIOYPBOGGUAHH-LJQANCHMSA-N 1 0 316.445 2.274 50 0 DEAARO O[C@]1(CNCc2cc(-c3ccccc3Cl)on2)CCC[NH2+]C1 ZINC000072474168 191177364 /nfs/dbraw/zinc/17/73/64/191177364.db2.gz WNBXVGYABDIFLY-MRXNPFEDSA-N 1 0 321.808 2.199 50 0 DEAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000072476514 191178317 /nfs/dbraw/zinc/17/83/17/191178317.db2.gz PVOIIRVNPOYHIT-INIZCTEOSA-N 1 0 308.809 2.449 50 0 DEAARO c1cn(-c2cccc3cnccc32)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072479195 191179784 /nfs/dbraw/zinc/17/97/84/191179784.db2.gz AHVLYOOQYPNWDJ-UHFFFAOYSA-N 1 0 316.368 2.387 50 0 DEAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000072896572 191249906 /nfs/dbraw/zinc/24/99/06/191249906.db2.gz GFXDCBVUZZIACZ-KGLIPLIRSA-N 1 0 303.431 2.410 50 0 DEAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCO)[C@H]3C=C12 ZINC000004073746 181069441 /nfs/dbraw/zinc/06/94/41/181069441.db2.gz WZTMASUKMOOXHW-LIERCTJHSA-N 1 0 307.434 2.273 50 0 biogenic DEAARO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036398790 354164986 /nfs/dbraw/zinc/16/49/86/354164986.db2.gz KLCKUMOFHHKUHW-ZFWWWQNUSA-N 1 0 318.417 2.462 50 0 DEAARO C[N@H+](Cc1cccn1CCN1CCOCC1)Cc1ccccc1 ZINC000004715644 181141646 /nfs/dbraw/zinc/14/16/46/181141646.db2.gz BYCXLXQZYXWRRU-UHFFFAOYSA-N 1 0 313.445 2.452 50 0 DEAARO CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 ZINC000072255112 354898827 /nfs/dbraw/zinc/89/88/27/354898827.db2.gz KREBRVUSFIZFIY-NVXWUHKLSA-N 1 0 312.417 2.007 50 0 DEAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004857621 181164584 /nfs/dbraw/zinc/16/45/84/181164584.db2.gz WGYOBGCPSCGBPS-UHFFFAOYSA-N 1 0 302.827 2.055 50 0 DEAARO CC(C)C1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000074345108 355023610 /nfs/dbraw/zinc/02/36/10/355023610.db2.gz FCDDRDFTVYDTJI-UHFFFAOYSA-N 1 0 324.513 2.092 50 0 DEAARO O=C1C[C@@H]([NH2+]CCc2cccc(F)c2)C(=O)N1c1ccccc1 ZINC000004873022 181167047 /nfs/dbraw/zinc/16/70/47/181167047.db2.gz GKIIZNONGTZYMS-MRXNPFEDSA-N 1 0 312.344 2.290 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cc(C(C)C)no2)C1 ZINC000076088426 355125412 /nfs/dbraw/zinc/12/54/12/355125412.db2.gz MHRYFYRCFBVFIE-CYBMUJFWSA-N 1 0 308.426 2.424 50 0 DEAARO Cc1cncc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000093065167 355667210 /nfs/dbraw/zinc/66/72/10/355667210.db2.gz DVKSTKLHOVIIKE-UHFFFAOYSA-N 1 0 310.401 2.431 50 0 DEAARO Cc1nc(C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)c(C)o1 ZINC000077380153 191704164 /nfs/dbraw/zinc/70/41/64/191704164.db2.gz SIVFVLIFPOBWFJ-UHFFFAOYSA-N 1 0 314.389 2.266 50 0 DEAARO C[S@@](=O)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000097095448 355700991 /nfs/dbraw/zinc/70/09/91/355700991.db2.gz YWDLEMGKSPYOGP-NRFANRHFSA-N 1 0 321.364 2.313 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C1CCN(C(=O)C2CCCCC2)CC1 ZINC000097159411 355702005 /nfs/dbraw/zinc/70/20/05/355702005.db2.gz GMRNLDGANLHLPL-UHFFFAOYSA-N 1 0 304.438 2.379 50 0 DEAARO C[C@@H](C[NH2+]Cc1ncnn1C)c1cccc(Br)c1 ZINC000097230464 355703015 /nfs/dbraw/zinc/70/30/15/355703015.db2.gz SZIKSCCOPQKNSG-JTQLQIEISA-N 1 0 309.211 2.471 50 0 DEAARO CCCCOCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110618273 355743474 /nfs/dbraw/zinc/74/34/74/355743474.db2.gz VFLZEEQVIJCYCA-YESZJQIVSA-N 1 0 323.481 2.319 50 0 DEAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000106661837 355724049 /nfs/dbraw/zinc/72/40/49/355724049.db2.gz FAYXMHNIRYKKKP-NXOAAHMSSA-N 1 0 324.465 2.046 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000106637170 355724396 /nfs/dbraw/zinc/72/43/96/355724396.db2.gz XPORAAVKRUWUQU-CKEIUWERSA-N 1 0 320.481 2.479 50 0 DEAARO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128750909 355830225 /nfs/dbraw/zinc/83/02/25/355830225.db2.gz NBTDJBINRWDKPA-CABCVRRESA-N 1 0 302.426 2.404 50 0 DEAARO CC(C)C[N@H+](C1CN(Cc2cncs2)C1)C1CCOCC1 ZINC000169791776 355984350 /nfs/dbraw/zinc/98/43/50/355984350.db2.gz SATOVZSRKLBGJZ-UHFFFAOYSA-N 1 0 309.479 2.464 50 0 DEAARO CC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000170595642 355986970 /nfs/dbraw/zinc/98/69/70/355986970.db2.gz JNYHCAGIAFAYMC-CQSZACIVSA-N 1 0 315.421 2.184 50 0 DEAARO C[C@H](CN1CCCCCC1)[NH2+]C[C@H](CO)Cc1ccccn1 ZINC000170606838 355988839 /nfs/dbraw/zinc/98/88/39/355988839.db2.gz ZFNCRHZJRVERTF-IAGOWNOFSA-N 1 0 305.466 2.087 50 0 DEAARO Cn1ncc2c1CCC[C@H]2Nc1ccc(N2CCOCC2)cn1 ZINC000182876247 356150447 /nfs/dbraw/zinc/15/04/47/356150447.db2.gz IZIOQVJFSQKCIK-OAHLLOKOSA-N 1 0 313.405 2.141 50 0 DEAARO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000005511873 181252014 /nfs/dbraw/zinc/25/20/14/181252014.db2.gz RYXOJVLTKNOQBB-CJNGLKHVSA-N 1 0 316.401 2.449 50 0 DEAARO COc1ccc(F)cc1[C@@H](C)NC(=O)COC[C@H]1CCC[NH2+]C1 ZINC000195549495 356256146 /nfs/dbraw/zinc/25/61/46/356256146.db2.gz JWXNNJOSHKTTDF-OLZOCXBDSA-N 1 0 324.396 2.028 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCc3ccccc3C2)C1 ZINC000195570436 356257646 /nfs/dbraw/zinc/25/76/46/356257646.db2.gz UNQDWFNBKNETHY-JKSUJKDBSA-N 1 0 315.461 2.385 50 0 DEAARO Clc1ccc(O[C@@H]2CCC[N@H+](CCC3OCCO3)C2)nc1 ZINC000195565974 356258095 /nfs/dbraw/zinc/25/80/95/356258095.db2.gz KKFPGYWHTYPAFN-CYBMUJFWSA-N 1 0 312.797 2.341 50 0 DEAARO COC[C@H](C)C[NH+]1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000195572854 356258746 /nfs/dbraw/zinc/25/87/46/356258746.db2.gz BNLWNXJOLRWBIN-CQSZACIVSA-N 1 0 320.433 2.044 50 0 DEAARO CCO[C@@H](C)c1noc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000229728109 356282100 /nfs/dbraw/zinc/28/21/00/356282100.db2.gz AZJIGMURZWRUDE-NWDGAFQWSA-N 1 0 305.382 2.270 50 0 DEAARO CCCc1noc([C@H](C)N2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000229477558 356282142 /nfs/dbraw/zinc/28/21/42/356282142.db2.gz LOTZNMKJJLZGON-QWHCGFSZSA-N 1 0 304.398 2.087 50 0 DEAARO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Cl ZINC000237124783 202161184 /nfs/dbraw/zinc/16/11/84/202161184.db2.gz VGMPSKZYXDZXBI-UHFFFAOYSA-N 1 0 302.827 2.021 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC000237237964 202200441 /nfs/dbraw/zinc/20/04/41/202200441.db2.gz CAKDWXCQKNRNBD-YOEHRIQHSA-N 1 0 302.418 2.065 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000237245219 202203697 /nfs/dbraw/zinc/20/36/97/202203697.db2.gz LJXWBOXDAOASOL-ZKKXHLJNSA-N 1 0 300.402 2.093 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000584886682 357325148 /nfs/dbraw/zinc/32/51/48/357325148.db2.gz OVHNSXXWZHAXOZ-ZDUSSCGKSA-N 1 0 300.402 2.277 50 0 DEAARO CNc1ccc(Cl)cc1C(=O)N1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1 ZINC000584889647 357326027 /nfs/dbraw/zinc/32/60/27/357326027.db2.gz PCNIZBSWXSHRON-ZSOGYDGISA-N 1 0 307.825 2.261 50 0 DEAARO Cc1ncc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)o1 ZINC000585141213 357338892 /nfs/dbraw/zinc/33/88/92/357338892.db2.gz RGKULZPRBIGZMN-UHFFFAOYSA-N 1 0 305.422 2.454 50 0 DEAARO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000187915445 200176077 /nfs/dbraw/zinc/17/60/77/200176077.db2.gz ITXDKTFDKMDQPY-AQNFWKISSA-N 1 0 308.809 2.142 50 0 DEAARO C[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000237590576 202294950 /nfs/dbraw/zinc/29/49/50/202294950.db2.gz LKAFHEJRMDHPHV-NSHDSACASA-N 1 0 300.324 2.458 50 0 DEAARO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C[NH3+])CC1 ZINC000237640850 202313533 /nfs/dbraw/zinc/31/35/33/202313533.db2.gz NCOJSRPUPPMYHJ-JTQLQIEISA-N 1 0 314.788 2.444 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CC[NH2+][C@H](C)C3)c2)cc1 ZINC000188425384 200244197 /nfs/dbraw/zinc/24/41/97/200244197.db2.gz PQKUVRQZJBULTL-CYBMUJFWSA-N 1 0 311.385 2.191 50 0 DEAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000281112331 216086195 /nfs/dbraw/zinc/08/61/95/216086195.db2.gz CLUYEJNQLABSAH-GWCFXTLKSA-N 1 0 321.364 2.413 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC[NH2+]1 ZINC000188442165 200247214 /nfs/dbraw/zinc/24/72/14/200247214.db2.gz IOMBNCCAMVBQBK-LLVKDONJSA-N 1 0 312.373 2.048 50 0 DEAARO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CCCOC1 ZINC000237838222 202368183 /nfs/dbraw/zinc/36/81/83/202368183.db2.gz XXXHNJAOMXZLNU-CQSZACIVSA-N 1 0 316.405 2.432 50 0 DEAARO Cn1c(CCNC(=O)CCCCCC[NH3+])nc2c1cccc2F ZINC000237861882 202372934 /nfs/dbraw/zinc/37/29/34/202372934.db2.gz XOOKCWYNHBGQBZ-UHFFFAOYSA-N 1 0 320.412 2.280 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1 ZINC000237909767 202388866 /nfs/dbraw/zinc/38/88/66/202388866.db2.gz MCGVFUHVEHECTG-GFCCVEGCSA-N 1 0 309.207 2.040 50 0 DEAARO COCCC1(C[NH2+][C@@H]2CCc3nc(C)nn3C2)CCCCC1 ZINC000189124614 200352940 /nfs/dbraw/zinc/35/29/40/200352940.db2.gz DJAIEAPHLREMLM-OAHLLOKOSA-N 1 0 306.454 2.478 50 0 DEAARO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000006111149 181313327 /nfs/dbraw/zinc/31/33/27/181313327.db2.gz VSONKLRWXJMQQO-CVEARBPZSA-N 1 0 323.433 2.062 50 0 DEAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C1\CCCCC1(C)C ZINC000606442319 361008306 /nfs/dbraw/zinc/00/83/06/361008306.db2.gz ZAZGWTGWTXCFSJ-XERWBJCMSA-N 1 0 307.482 2.265 50 0 DEAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](c3ccncn3)C2)CC1 ZINC000670447809 540934675 /nfs/dbraw/zinc/93/46/75/540934675.db2.gz QWDZDSMPOVDXEG-AWEZNQCLSA-N 1 0 318.421 2.277 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000261985686 296028103 /nfs/dbraw/zinc/02/81/03/296028103.db2.gz SFGNBSBZJJAFAG-IUODEOHRSA-N 1 0 319.430 2.125 50 0 DEAARO OC[C@@]1([NH2+]CCO[C@@H]2CCCCO2)CCCc2ccccc21 ZINC000281471924 216324912 /nfs/dbraw/zinc/32/49/12/216324912.db2.gz BNKKIAGFTMEROW-MSOLQXFVSA-N 1 0 305.418 2.343 50 0 DEAARO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000195530345 201398423 /nfs/dbraw/zinc/39/84/23/201398423.db2.gz XUEGWRGFOKLEME-GOEBONIOSA-N 1 0 320.437 2.340 50 0 DEAARO Cc1cc(N2CCC(CNC(=O)C3CCOCC3)CC2)cc[nH+]1 ZINC000245039126 202510762 /nfs/dbraw/zinc/51/07/62/202510762.db2.gz OGQQFJMBNAXPRG-UHFFFAOYSA-N 1 0 317.433 2.149 50 0 DEAARO O=C(c1cccc(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620490313 364064664 /nfs/dbraw/zinc/06/46/64/364064664.db2.gz XXNKHOAIGPQMPT-HNNXBMFYSA-N 1 0 308.809 2.011 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000248732184 202757921 /nfs/dbraw/zinc/75/79/21/202757921.db2.gz DHCVZDLJPUDHJS-KBAYOESNSA-N 1 0 316.445 2.440 50 0 DEAARO CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[NH+]2CCCC2)c1C ZINC000006800480 181391184 /nfs/dbraw/zinc/39/11/84/181391184.db2.gz IPQTXPLSLXOESI-UHFFFAOYSA-N 1 0 321.421 2.024 50 0 DEAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1c[nH]cn1 ZINC000091644729 193083868 /nfs/dbraw/zinc/08/38/68/193083868.db2.gz GOQYKBWDGCCOSC-GOEBONIOSA-N 1 0 304.438 2.113 50 0 DEAARO COCc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)s1 ZINC000091769640 193104513 /nfs/dbraw/zinc/10/45/13/193104513.db2.gz GRZAYMSYBPQVLM-CABCVRRESA-N 1 0 316.426 2.461 50 0 DEAARO CO[C@@]1(C)C[C@@H](O)C12CC[NH+](CCOc1ccc(F)cc1)CC2 ZINC000091914993 193125739 /nfs/dbraw/zinc/12/57/39/193125739.db2.gz DXSCYBRRKZNNRS-SJORKVTESA-N 1 0 323.408 2.456 50 0 DEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cc2ccccn2)CC1 ZINC000219289517 201554409 /nfs/dbraw/zinc/55/44/09/201554409.db2.gz HBBIONMIRYANOC-UHFFFAOYSA-N 1 0 310.401 2.066 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000093017964 193195237 /nfs/dbraw/zinc/19/52/37/193195237.db2.gz GUPHPDRTRSRTRC-QGZVFWFLSA-N 1 0 304.434 2.239 50 0 DEAARO Cc1n[nH]c(C)c1CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000095387322 193442204 /nfs/dbraw/zinc/44/22/04/193442204.db2.gz NVEIQYWWTUFHFQ-UHFFFAOYSA-N 1 0 306.454 2.148 50 0 DEAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000048367962 284189696 /nfs/dbraw/zinc/18/96/96/284189696.db2.gz JFBSTNHOKASZRU-PMPSAXMXSA-N 1 0 316.401 2.092 50 0 DEAARO Cc1nc(-c2cnc(C3CC3)nc2C)n(C2CC[NH+](C)CC2)n1 ZINC000096167176 193559993 /nfs/dbraw/zinc/55/99/93/193559993.db2.gz GLRMIPXLYQEACE-UHFFFAOYSA-N 1 0 312.421 2.496 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218122 182108382 /nfs/dbraw/zinc/10/83/82/182108382.db2.gz YCLKWVCWITWWAT-CQSZACIVSA-N 1 0 321.509 2.343 50 0 DEAARO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3n(C)c2=N)cc1 ZINC000019798514 182150867 /nfs/dbraw/zinc/15/08/67/182150867.db2.gz KHMZSSBPDQTQBW-AWEZNQCLSA-N 1 0 311.385 2.208 50 0 DEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCOCC1 ZINC000019872168 182158890 /nfs/dbraw/zinc/15/88/90/182158890.db2.gz LFNWJRSIINZWPM-UHFFFAOYSA-N 1 0 319.232 2.424 50 0 DEAARO C[NH+]1CCN(CCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000020819810 182248025 /nfs/dbraw/zinc/24/80/25/182248025.db2.gz NLNKMFROCWAXMU-UHFFFAOYSA-N 1 0 317.477 2.351 50 0 DEAARO COc1cccc(-c2nc3ccccn3c2CN2CC[NH2+]CC2)c1 ZINC000022465134 182322878 /nfs/dbraw/zinc/32/28/78/182322878.db2.gz OGONUYTVAHFJFH-UHFFFAOYSA-N 1 0 322.412 2.415 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000022921011 182340889 /nfs/dbraw/zinc/34/08/89/182340889.db2.gz XBKYGHLSVYDCGL-QZTJIDSGSA-N 1 0 320.477 2.425 50 0 DEAARO CCOC(=O)N1CCC([NH2+]CCc2ccccc2OC)CC1 ZINC000023283364 182355836 /nfs/dbraw/zinc/35/58/36/182355836.db2.gz FUGONQRAXNZBGV-UHFFFAOYSA-N 1 0 306.406 2.448 50 0 DEAARO CC(C)c1ccc(CCNC(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000039780845 183021470 /nfs/dbraw/zinc/02/14/70/183021470.db2.gz JDFXJHFSGRHDFY-UHFFFAOYSA-N 1 0 317.477 2.106 50 0 DEAARO O=C(c1ccc[nH]c1=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040514243 183089049 /nfs/dbraw/zinc/08/90/49/183089049.db2.gz ZZIHCLZAQFPRMF-UHFFFAOYSA-N 1 0 317.414 2.197 50 0 DEAARO CCc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000040539059 183096470 /nfs/dbraw/zinc/09/64/70/183096470.db2.gz JCWYONSNFFQPIM-UHFFFAOYSA-N 1 0 316.445 2.433 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000041748435 183218599 /nfs/dbraw/zinc/21/85/99/183218599.db2.gz NYHNRVRNTWEGLP-UHFFFAOYSA-N 1 0 304.369 2.083 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000493510308 249310187 /nfs/dbraw/zinc/31/01/87/249310187.db2.gz HANKDIWJZBNWHS-CMUBDUJZSA-N 1 0 324.428 2.323 50 0 DEAARO COc1ccc(OC)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000042209332 183242748 /nfs/dbraw/zinc/24/27/48/183242748.db2.gz HKRJMOLWZFFIPQ-UHFFFAOYSA-N 1 0 318.417 2.194 50 0 DEAARO Ic1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042773638 183307275 /nfs/dbraw/zinc/30/72/75/183307275.db2.gz DQRGLNXUZPPRPC-SECBINFHSA-N 1 0 303.143 2.280 50 0 DEAARO O=C(NCCC[NH+]1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000043165951 183342601 /nfs/dbraw/zinc/34/26/01/183342601.db2.gz LUCNACHTCUZKTM-HNNXBMFYSA-N 1 0 303.406 2.295 50 0 DEAARO Cc1nnc(NC(=O)NCc2ccccc2C[NH+](C)C)s1 ZINC000043408816 183360321 /nfs/dbraw/zinc/36/03/21/183360321.db2.gz CSSHQDHZZYIMPW-UHFFFAOYSA-N 1 0 305.407 2.230 50 0 DEAARO CCOc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1OC ZINC000106379870 194204172 /nfs/dbraw/zinc/20/41/72/194204172.db2.gz UAGFZFXMWTZGDU-MRXNPFEDSA-N 1 0 320.433 2.047 50 0 DEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2cccs2)cn1 ZINC000106655330 194241409 /nfs/dbraw/zinc/24/14/09/194241409.db2.gz HKTJJFWMHJXTSK-GDBMZVCRSA-N 1 0 321.446 2.196 50 0 DEAARO O=C(Nc1nnc(-c2cccs2)s1)N[C@@H]1CCC[NH2+]C1 ZINC000055309668 183978640 /nfs/dbraw/zinc/97/86/40/183978640.db2.gz HCGLQPCLJJPTEW-MRVPVSSYSA-N 1 0 309.420 2.140 50 0 DEAARO O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)[C@H]1CCCO1 ZINC000058014456 184067385 /nfs/dbraw/zinc/06/73/85/184067385.db2.gz VVWFYXDLKKIOPM-QGZVFWFLSA-N 1 0 311.385 2.489 50 0 DEAARO Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000058161474 184082746 /nfs/dbraw/zinc/08/27/46/184082746.db2.gz CBXRZBFZCUOWDV-OAHLLOKOSA-N 1 0 308.470 2.062 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2cc(OC)ccc2OC)CC1 ZINC000058283183 184099677 /nfs/dbraw/zinc/09/96/77/184099677.db2.gz YIXNYCJCLWMMDR-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000058282491 184099799 /nfs/dbraw/zinc/09/97/99/184099799.db2.gz BREHEIBQSLBHMV-CQSZACIVSA-N 1 0 318.417 2.257 50 0 DEAARO Cc1nccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000058304779 184102755 /nfs/dbraw/zinc/10/27/55/184102755.db2.gz QAJBYFMJHJBDFN-QGZVFWFLSA-N 1 0 310.401 2.066 50 0 DEAARO O=C(/C=C/c1c(F)cccc1F)NCCCC[NH+]1CCOCC1 ZINC000058406890 184114176 /nfs/dbraw/zinc/11/41/76/184114176.db2.gz YGHODUPAKCFCHD-VOTSOKGWSA-N 1 0 324.371 2.207 50 0 DEAARO COc1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(C)nn1C ZINC000058421070 184115694 /nfs/dbraw/zinc/11/56/94/184115694.db2.gz MZBDMRNRNVAPQU-HNNXBMFYSA-N 1 0 314.433 2.353 50 0 DEAARO O=C1NCCN1C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058908387 184131513 /nfs/dbraw/zinc/13/15/13/184131513.db2.gz NLOPSPALPPCDJB-UHFFFAOYSA-N 1 0 307.825 2.372 50 0 DEAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000062001531 184200317 /nfs/dbraw/zinc/20/03/17/184200317.db2.gz HIVLLLMSCJPNTB-WMZOPIPTSA-N 1 0 308.337 2.340 50 0 biogenic DEAARO COC(=O)c1ccc([C@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)cc1 ZINC000062001627 184200411 /nfs/dbraw/zinc/20/04/11/184200411.db2.gz UZAHARYZRYRNPW-VQIMIIECSA-N 1 0 322.364 2.398 50 0 biogenic DEAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCCO2 ZINC000062001556 184200534 /nfs/dbraw/zinc/20/05/34/184200534.db2.gz AAOCWUAGGVVIAJ-MJGOQNOKSA-N 1 0 322.364 2.382 50 0 biogenic DEAARO c1ccc(CNc2ncc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000065428111 184343474 /nfs/dbraw/zinc/34/34/74/184343474.db2.gz OCDWRYFMHKWDNM-MSOLQXFVSA-N 1 0 323.444 2.415 50 0 DEAARO O=C(C[NH2+]CC1CCOCC1)NCCc1ccc(Cl)cc1 ZINC000065453766 184346683 /nfs/dbraw/zinc/34/66/83/184346683.db2.gz UZMAPOSIEBPWGD-UHFFFAOYSA-N 1 0 310.825 2.015 50 0 DEAARO O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)NC1CCCC1 ZINC000065457938 184348238 /nfs/dbraw/zinc/34/82/38/184348238.db2.gz YPDUNKVRCVDARI-HNNXBMFYSA-N 1 0 316.449 2.264 50 0 DEAARO Cc1[nH+]c(N(C)C)nc(NCc2cn3c(n2)SCC3)c1C ZINC000065468839 184350808 /nfs/dbraw/zinc/35/08/08/184350808.db2.gz VKZDROWASSIQML-UHFFFAOYSA-N 1 0 304.423 2.074 50 0 DEAARO C[NH+]1CCC(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000065491638 184353618 /nfs/dbraw/zinc/35/36/18/184353618.db2.gz YRSORLNCUROLMQ-UHFFFAOYSA-N 1 0 302.418 2.377 50 0 DEAARO CC(C)Cc1noc([C@H]2CCC[N@H+](Cc3cnc(N)nc3)C2)n1 ZINC000065530178 184361180 /nfs/dbraw/zinc/36/11/80/184361180.db2.gz HWUAYBUTWVGZBO-ZDUSSCGKSA-N 1 0 316.409 2.020 50 0 DEAARO Cc1cc(C)cc(OC[C@H](O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000065578587 184368216 /nfs/dbraw/zinc/36/82/16/184368216.db2.gz YCYPLSAUQOOEBK-GOSISDBHSA-N 1 0 320.477 2.317 50 0 DEAARO CCCOc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000065499696 184355309 /nfs/dbraw/zinc/35/53/09/184355309.db2.gz MUFBEPFNUIRUHM-WBVHZDCISA-N 1 0 318.417 2.068 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000065624394 184375312 /nfs/dbraw/zinc/37/53/12/184375312.db2.gz URTFUVVJPODRJL-GFCCVEGCSA-N 1 0 317.202 2.008 50 0 DEAARO COCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000065625608 184375566 /nfs/dbraw/zinc/37/55/66/184375566.db2.gz BZCRMANFUKWREG-SJORKVTESA-N 1 0 302.418 2.288 50 0 DEAARO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000065932814 184383434 /nfs/dbraw/zinc/38/34/34/184383434.db2.gz TWLVYVPWAGXEGQ-GFCCVEGCSA-N 1 0 305.403 2.304 50 0 DEAARO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)[C@H](C)CO2)c1 ZINC000269228411 207349560 /nfs/dbraw/zinc/34/95/60/207349560.db2.gz GPAGGVNJPACLKI-VYDXJSESSA-N 1 0 302.418 2.201 50 0 DEAARO OCC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000015083794 285260561 /nfs/dbraw/zinc/26/05/61/285260561.db2.gz FIUDDOANINUURS-UHFFFAOYSA-N 1 0 315.369 2.119 50 0 DEAARO Cn1cc(CCCNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000095377937 257271993 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CC(C)C[C@@H](C)Cn1cc(C[NH+]2CCC3(CC2)OCCO3)nn1 ZINC000685943820 542769003 /nfs/dbraw/zinc/76/90/03/542769003.db2.gz YSHSVVITTTVKPN-OAHLLOKOSA-N 1 0 322.453 2.299 50 0 DEAARO COc1cccc(OC)c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000003178880 401722442 /nfs/dbraw/zinc/72/24/42/401722442.db2.gz VEURHTADPABNCE-HNNXBMFYSA-N 1 0 323.356 2.150 50 0 DEAARO C[C@H]([NH2+]CCc1ccccc1)C(=O)NC(=O)NC1CCCCC1 ZINC000006566207 401731394 /nfs/dbraw/zinc/73/13/94/401731394.db2.gz MEMOSDHVVPGLLJ-AWEZNQCLSA-N 1 0 317.433 2.366 50 0 DEAARO Cc1cc(OC[C@H](O)C[N@H+](C)CCO)c(C(C)C)cc1Cl ZINC000006938881 401734609 /nfs/dbraw/zinc/73/46/09/401734609.db2.gz FCJQUICJQYGJKP-CYBMUJFWSA-N 1 0 315.841 2.436 50 0 DEAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C)c1O ZINC000007126887 401737017 /nfs/dbraw/zinc/73/70/17/401737017.db2.gz VIQYGINTYVRMEY-OAHLLOKOSA-N 1 0 307.357 2.455 50 0 DEAARO C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000007786583 401744410 /nfs/dbraw/zinc/74/44/10/401744410.db2.gz 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O=C(Cn1c2ccccc2nc1NCCO)c1ccc(F)cc1 ZINC000002302080 401712949 /nfs/dbraw/zinc/71/29/49/401712949.db2.gz POVZNEYKONSIFA-UHFFFAOYSA-N 1 0 313.332 2.463 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1 ZINC000014159753 401808011 /nfs/dbraw/zinc/80/80/11/401808011.db2.gz BOVSCTXJYWTIMU-UHFFFAOYSA-N 1 0 310.401 2.232 50 0 DEAARO CCOCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000075142611 401751640 /nfs/dbraw/zinc/75/16/40/401751640.db2.gz GYBXUYWFDANQME-DOTOQJQBSA-N 1 0 304.434 2.392 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000014202084 401809149 /nfs/dbraw/zinc/80/91/49/401809149.db2.gz XKHTVJNKMBOGHU-CJNGLKHVSA-N 1 0 321.417 2.369 50 0 DEAARO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](C)CC2)cc1C ZINC000008583061 401754175 /nfs/dbraw/zinc/75/41/75/401754175.db2.gz ZBIDVWQHNVAYDI-UHFFFAOYSA-N 1 0 322.416 2.184 50 0 DEAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](C(C)C)C3)CCC2=O)cn1 ZINC000077302452 401809587 /nfs/dbraw/zinc/80/95/87/401809587.db2.gz SDXWSBJYXZBBPH-SFHVURJKSA-N 1 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Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470796 401816293 /nfs/dbraw/zinc/81/62/93/401816293.db2.gz CCUWZPQYOMDWOC-SFHVURJKSA-N 1 0 320.408 2.197 50 0 DEAARO Cc1nc2ncnc(N3CC[NH+](Cc4ccccc4C)CC3)c2[nH]1 ZINC000041121271 401927199 /nfs/dbraw/zinc/92/71/99/401927199.db2.gz SGRVPCKABUIYOR-UHFFFAOYSA-N 1 0 322.416 2.292 50 0 DEAARO OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000032185172 401876894 /nfs/dbraw/zinc/87/68/94/401876894.db2.gz SQZBAQZDHGURKC-UHFFFAOYSA-N 1 0 300.196 2.285 50 0 DEAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CN1C(C)C ZINC000032541499 401879671 /nfs/dbraw/zinc/87/96/71/401879671.db2.gz TZWWOLSAPCSLDS-HOCLYGCPSA-N 1 0 323.868 2.417 50 0 DEAARO CC(C)[C@H](CNc1ncnc2sccc21)[NH+]1CCN(C)CC1 ZINC000032760678 401882581 /nfs/dbraw/zinc/88/25/81/401882581.db2.gz DUMZHBUPDOQXFJ-AWEZNQCLSA-N 1 0 319.478 2.375 50 0 DEAARO CCC[C@@H](O)C[N@H+](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095686 401902055 /nfs/dbraw/zinc/90/20/55/401902055.db2.gz ZNFCHFGTGJIRBB-OAHLLOKOSA-N 1 0 311.422 2.313 50 0 DEAARO CC(C)COc1cncc(NCC2([NH+](C)C)CCOCC2)n1 ZINC000086184052 401921098 /nfs/dbraw/zinc/92/10/98/401921098.db2.gz MJHGHYQTYGAMAN-UHFFFAOYSA-N 1 0 308.426 2.034 50 0 DEAARO Cc1ccc(-c2noc(CN3CC[N@@H+](C)C[C@@H]3C)n2)cc1F ZINC000089644100 401955674 /nfs/dbraw/zinc/95/56/74/401955674.db2.gz MDKRTHXAHQCYCM-LBPRGKRZSA-N 1 0 304.369 2.320 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000089647043 401955909 /nfs/dbraw/zinc/95/59/09/401955909.db2.gz BRDNJVPJHCLALE-UHFFFAOYSA-N 1 0 320.433 2.092 50 0 DEAARO CC(C)[C@@H](NC(=O)CN1CC[N@H+](C)C[C@@H]1C)c1cccs1 ZINC000089938970 401975754 /nfs/dbraw/zinc/97/57/54/401975754.db2.gz LKEGPJMBZLPZAP-XJKSGUPXSA-N 1 0 309.479 2.197 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCOC1 ZINC000047778205 401988796 /nfs/dbraw/zinc/98/87/96/401988796.db2.gz WUYIBTRQFNOTJA-GJZGRUSLSA-N 1 0 321.421 2.142 50 0 DEAARO COc1cc(F)cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000089319389 401942095 /nfs/dbraw/zinc/94/20/95/401942095.db2.gz 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314.433 2.493 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCOC)CC2)C12CCCC2 ZINC000089986141 286383000 /nfs/dbraw/zinc/38/30/00/286383000.db2.gz GZRSJFZVAPCUER-DLBZAZTESA-N 1 0 310.482 2.425 50 0 DEAARO c1ccc([C@H](NCc2nnc3n2CCCC3)[C@@H]2CCOC2)cc1 ZINC000329386147 404320960 /nfs/dbraw/zinc/32/09/60/404320960.db2.gz POMPOMATELMCFR-QAPCUYQASA-N 1 0 312.417 2.482 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(CO)c1 ZINC000365888613 404739448 /nfs/dbraw/zinc/73/94/48/404739448.db2.gz WNFGMZIOQBDHOL-BWTSREIZSA-N 1 0 322.408 2.039 50 0 DEAARO O=C(NCCCc1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416792520 404912731 /nfs/dbraw/zinc/91/27/31/404912731.db2.gz CFIKVUDKKMSEKW-GOSISDBHSA-N 1 0 301.434 2.404 50 0 DEAARO CC(C)(Cc1ccc(O)cc1)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000426359616 405354197 /nfs/dbraw/zinc/35/41/97/405354197.db2.gz KWUXSEVCXJTNRB-CABCVRRESA-N 1 0 302.418 2.314 50 0 DEAARO [NH3+]CCOc1cccc(CC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000426488166 405363582 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50 0 DEAARO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000408517213 227238174 /nfs/dbraw/zinc/23/81/74/227238174.db2.gz CQEILQMIHYGONJ-INIZCTEOSA-N 1 0 304.434 2.478 50 0 DEAARO Cc1cc(=O)cc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1C ZINC000299787332 229442005 /nfs/dbraw/zinc/44/20/05/229442005.db2.gz QDTBRYMTWGJWAU-UHFFFAOYSA-N 1 0 319.449 2.075 50 0 DEAARO CC[C@@H](CNC(=O)Nc1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000046309954 424820503 /nfs/dbraw/zinc/82/05/03/424820503.db2.gz ISYICONMCVXADS-INIZCTEOSA-N 1 0 313.405 2.368 50 0 DEAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1ccnc1 ZINC000044976154 424815111 /nfs/dbraw/zinc/81/51/11/424815111.db2.gz LSQVNSJYJWQVEZ-OAHLLOKOSA-N 1 0 312.417 2.225 50 0 DEAARO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)NC1CCC2(CC1)OCCO2 ZINC000107507248 424850311 /nfs/dbraw/zinc/85/03/11/424850311.db2.gz WECKBWAJOZSVHN-ZBFHGGJFSA-N 1 0 322.449 2.053 50 0 DEAARO O=C(Nc1cc([C@H]2CCCO2)[nH]n1)C1CC[NH+](C2CC2)CC1 ZINC000252508810 424888112 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O=C1Nc2ccccc2NC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC000077517523 275026189 /nfs/dbraw/zinc/02/61/89/275026189.db2.gz CWUBTLYIVXFLPY-CYBMUJFWSA-N 1 0 301.390 2.064 50 0 DEAARO OCC(CO)[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067649175 275045456 /nfs/dbraw/zinc/04/54/56/275045456.db2.gz PFFXMERFRQFKSQ-UHFFFAOYSA-N 1 0 324.380 2.206 50 0 DEAARO CC(C)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000040288034 275656973 /nfs/dbraw/zinc/65/69/73/275656973.db2.gz GHMHGIGETKWQPL-UHFFFAOYSA-N 1 0 307.419 2.334 50 0 DEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1C)C2 ZINC000091624712 276014532 /nfs/dbraw/zinc/01/45/32/276014532.db2.gz JUEUZMOCLSHYQP-HUUCEWRRSA-N 1 0 302.422 2.040 50 0 DEAARO C[NH+](C)C[C@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000085469910 276808314 /nfs/dbraw/zinc/80/83/14/276808314.db2.gz CFHOEMGFQKFOFW-ZDUSSCGKSA-N 1 0 316.323 2.108 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269101876 277275294 /nfs/dbraw/zinc/27/52/94/277275294.db2.gz DFAYWBMITYTYQI-NHYWBVRUSA-N 1 0 308.809 2.102 50 0 DEAARO CC(C)(O)CCc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000072423243 277313646 /nfs/dbraw/zinc/31/36/46/277313646.db2.gz JZTVXXFVFQGMDC-QGZVFWFLSA-N 1 0 316.445 2.214 50 0 DEAARO CO[C@@H](C[NH2+]C[C@@H]1CNc2cc(C)nn2C1)c1ccccc1 ZINC000058294363 277635958 /nfs/dbraw/zinc/63/59/58/277635958.db2.gz SHHSCVDUDCPEIY-ZBFHGGJFSA-N 1 0 300.406 2.211 50 0 DEAARO Cc1nc(N2CCO[C@@H](C[NH+](C)C)C2)nc(C)c1CC(C)C ZINC000170655257 279092276 /nfs/dbraw/zinc/09/22/76/279092276.db2.gz NTLXPEPHWKBNMD-HNNXBMFYSA-N 1 0 306.454 2.059 50 0 DEAARO CC(C)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000097039051 279111676 /nfs/dbraw/zinc/11/16/76/279111676.db2.gz GYTQKXIYKKUWRR-AWEZNQCLSA-N 1 0 304.500 2.461 50 0 DEAARO Cc1cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n2ncnc2n1 ZINC000089595993 280551223 /nfs/dbraw/zinc/55/12/23/280551223.db2.gz YINLLIGQWJJSSC-OAHLLOKOSA-N 1 0 314.437 2.278 50 0 DEAARO C[NH+](C)CCNC(=S)N[C@H]1CCCOc2ccc(F)cc21 ZINC000053534195 289164161 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C[C@H](NC(=O)C[NH+]1CCCCCCC1)c1nc(C2CC2)no1 ZINC000534574553 334287592 /nfs/dbraw/zinc/28/75/92/334287592.db2.gz IMGUELNCGVEROV-LBPRGKRZSA-N 1 0 306.410 2.390 50 0 DEAARO O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@@H]1C=CC[NH2+]1 ZINC000534651643 334312236 /nfs/dbraw/zinc/31/22/36/334312236.db2.gz UWBCGHDYQBHZMV-KVULBXGLSA-N 1 0 324.428 2.481 50 0 DEAARO Cc1noc(CN2CC[NH+](C[C@@H](C)c3ccc(F)cc3)CC2)n1 ZINC000097103892 337382211 /nfs/dbraw/zinc/38/22/11/337382211.db2.gz JFFJRYSVEHWLLA-CYBMUJFWSA-N 1 0 318.396 2.438 50 0 DEAARO COc1cc(C[NH2+]C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000060806149 533868336 /nfs/dbraw/zinc/86/83/36/533868336.db2.gz DZBCZMZXIXSVTQ-UHFFFAOYSA-N 1 0 306.406 2.194 50 0 DEAARO C[C@H]1C[N@H+](C)CC[C@H]1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC000252467298 533898563 /nfs/dbraw/zinc/89/85/63/533898563.db2.gz AUIQXCSJPFLOBT-GXFFZTMASA-N 1 0 300.324 2.374 50 0 DEAARO C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)[C@@H](C)O1 ZINC000294656542 533970858 /nfs/dbraw/zinc/97/08/58/533970858.db2.gz 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ZINC000408523936 529039822 /nfs/dbraw/zinc/03/98/22/529039822.db2.gz ORBFBHWCCQKJTI-INIZCTEOSA-N 1 0 303.450 2.027 50 0 DEAARO CC(C)NC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000239351895 529132653 /nfs/dbraw/zinc/13/26/53/529132653.db2.gz AAJSQOYVEBBZJI-MNZLEMJZSA-N 1 0 317.477 2.257 50 0 DEAARO CCc1cccc(NC(=O)C[NH2+]Cc2c(C)nn(C)c2C)c1 ZINC000585146045 563519651 /nfs/dbraw/zinc/51/96/51/563519651.db2.gz ASXLEJUYSRBRLP-UHFFFAOYSA-N 1 0 300.406 2.328 50 0 DEAARO CC(C)Oc1ccccc1OCCOCCN1CC[NH+](C)CC1 ZINC000022184712 623635539 /nfs/dbraw/zinc/63/55/39/623635539.db2.gz OFPUHPMRVMORAD-UHFFFAOYSA-N 1 0 322.449 2.117 50 0 DEAARO O=c1c2ccc(Br)cc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000258170512 634241446 /nfs/dbraw/zinc/24/14/46/634241446.db2.gz LLJCUIFOCQOHNE-SNVBAGLBSA-N 1 0 308.179 2.084 50 0 DEAARO OC[C@H]1CCC[N@H+](CCNc2nnc(-c3ccccc3)s2)C1 ZINC000952986040 635187164 /nfs/dbraw/zinc/18/71/64/635187164.db2.gz CWLHRZQXJDPMNX-ZDUSSCGKSA-N 1 0 318.446 2.321 50 0 DEAARO CC[C@H](C(=O)OC)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000888098612 635545449 /nfs/dbraw/zinc/54/54/49/635545449.db2.gz QDGPSNZZDBJRQB-ZDUSSCGKSA-N 1 0 303.362 2.465 50 0 DEAARO CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CC(C(C)(C)C)C1 ZINC000888102049 635560430 /nfs/dbraw/zinc/56/04/30/635560430.db2.gz WBIWGVUCDHFWFV-PNESKVBLSA-N 1 0 304.438 2.383 50 0 DEAARO CCOC(=O)C1(CCOC)CC[NH+]([C@H]2CCSC2)CC1 ZINC000011662712 635642448 /nfs/dbraw/zinc/64/24/48/635642448.db2.gz BGBLIVGPBIFLNV-ZDUSSCGKSA-N 1 0 301.452 2.174 50 0 DEAARO CSCC(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012439416 636633118 /nfs/dbraw/zinc/63/31/18/636633118.db2.gz RMSFMPFJQGCBQM-OAHLLOKOSA-N 1 0 304.459 2.097 50 0 DEAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000171734750 646711617 /nfs/dbraw/zinc/71/16/17/646711617.db2.gz ICEJDRIDZSOTBB-UHFFFAOYSA-N 1 0 314.389 2.150 50 0 DEAARO COCCC(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000184050815 649229672 /nfs/dbraw/zinc/22/96/72/649229672.db2.gz FERSHASUUYKUDI-CQSZACIVSA-N 1 0 322.453 2.160 50 0 DEAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000014883773 683849992 /nfs/dbraw/zinc/84/99/92/683849992.db2.gz SQLCMNHRKHCESZ-HNNXBMFYSA-N 1 0 310.825 2.457 50 0 DEAARO O=C1C[C@@H]([NH2+]Cc2ccccn2)CN1CCc1ccc(F)cc1 ZINC000015079699 683851384 /nfs/dbraw/zinc/85/13/84/683851384.db2.gz LJTDIHQZBZKPKM-QGZVFWFLSA-N 1 0 313.376 2.154 50 0 DEAARO OCCN1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019608781 683859259 /nfs/dbraw/zinc/85/92/59/683859259.db2.gz RFRTXUSTMKMSRC-UHFFFAOYSA-N 1 0 308.425 2.368 50 0 DEAARO Cc1nc(C(F)(F)F)nc(NC[C@@]2(O)CCC[NH2+]CC2)c1C ZINC000072172678 683928672 /nfs/dbraw/zinc/92/86/72/683928672.db2.gz ROBMNEPRUBVARI-CYBMUJFWSA-N 1 0 318.343 2.029 50 0 DEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2 ZINC000091756114 684039074 /nfs/dbraw/zinc/03/90/74/684039074.db2.gz UATXMKNVOBLYNV-UONOGXRCSA-N 1 0 315.392 2.336 50 0 DEAARO CN(C)[C@@H](C(=O)N1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000095361479 684052733 /nfs/dbraw/zinc/05/27/33/684052733.db2.gz PUDWBOUWQQTXPM-QGZVFWFLSA-N 1 0 319.424 2.125 50 0 DEAARO Cc1cccc([C@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1C ZINC000863981877 686601747 /nfs/dbraw/zinc/60/17/47/686601747.db2.gz QKSHAAXAQIQOQY-MAUKXSAKSA-N 1 0 304.434 2.327 50 0 DEAARO O=C(NCCc1ccco1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000585120779 790316138 /nfs/dbraw/zinc/31/61/38/790316138.db2.gz KVODDZRDISWDNA-UHFFFAOYSA-N 1 0 313.401 2.246 50 0 DEAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2cn(C)nc2C)C1 ZINC000581807196 777830582 /nfs/dbraw/zinc/83/05/82/777830582.db2.gz KMTFGHPHMMQRFE-CQSZACIVSA-N 1 0 301.394 2.019 50 0 DEAARO Cc1cnc(C2CC[NH+](Cc3scnc3C)CC2)n1CCO ZINC000675021421 778336478 /nfs/dbraw/zinc/33/64/78/778336478.db2.gz OSAKOQOVIMXZAG-UHFFFAOYSA-N 1 0 320.462 2.328 50 0 DEAARO COc1ncc(C[N@H+](C)CCc2nc3c(cccc3C)[nH]2)cn1 ZINC000824851749 783610377 /nfs/dbraw/zinc/61/03/77/783610377.db2.gz CBWHHGVMFRTBBY-UHFFFAOYSA-N 1 0 311.389 2.344 50 0 DEAARO CN(Cc1ncc[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000827887596 783703444 /nfs/dbraw/zinc/70/34/44/783703444.db2.gz PZTOZFCZFZZEBZ-AWEZNQCLSA-N 1 0 319.453 2.206 50 0 DEAARO O=c1ccccn1CCC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000828406988 783801982 /nfs/dbraw/zinc/80/19/82/783801982.db2.gz PREVKONUUNVEQZ-UHFFFAOYSA-N 1 0 315.417 2.086 50 0 DEAARO COC1CC[NH+](C[C@@H]2CCCCCN2C(=O)NC(C)C)CC1 ZINC000581787868 784775907 /nfs/dbraw/zinc/77/59/07/784775907.db2.gz FWQUIMKWOWJGPY-HNNXBMFYSA-N 1 0 311.470 2.460 50 0 DEAARO CNC(=O)C[C@H]1CCOC2(CC[NH+](Cc3ccc(C)o3)CC2)C1 ZINC000581786504 784777468 /nfs/dbraw/zinc/77/74/68/784777468.db2.gz WFETYCLCZHFXFU-OAHLLOKOSA-N 1 0 320.433 2.485 50 0 DEAARO COC[C@@H]1[C@H](C(=O)NCCCc2ccccc2)CCC[N@@H+]1C ZINC000581813132 784784492 /nfs/dbraw/zinc/78/44/92/784784492.db2.gz DGCDATIZGTVRQJ-IAGOWNOFSA-N 1 0 304.434 2.092 50 0 DEAARO COC(C[NH+]1CCC(c2cc(-c3ccncc3)n[nH]2)CC1)OC ZINC000585116012 789702116 /nfs/dbraw/zinc/70/21/16/789702116.db2.gz DFDNWMXXPMJTHN-UHFFFAOYSA-N 1 0 316.405 2.270 50 0 DEAARO O=C(CC[N@@H+]1CC[C@H](c2ncc[nH]2)C1)Nc1cccc(F)c1 ZINC000585116373 789703356 /nfs/dbraw/zinc/70/33/56/789703356.db2.gz SDPDVKITBMZSKG-LBPRGKRZSA-N 1 0 302.353 2.367 50 0 DEAARO CC[NH+](CC)CC[C@@H](CO)NC/C=C/c1ccccc1OC ZINC000585118521 789706278 /nfs/dbraw/zinc/70/62/78/789706278.db2.gz RVUPPZKUEMPUIG-VMSUTVGLSA-N 1 0 306.450 2.391 50 0 DEAARO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](OC)CC1 ZINC000952847793 792776625 /nfs/dbraw/zinc/77/66/25/792776625.db2.gz DBWBPWCTWYSEQC-NVXWUHKLSA-N 1 0 319.449 2.459 50 0 DEAARO C[C@H](C[NH2+]Cc1csc(N)n1)Cc1ccc2c(c1)OCO2 ZINC000952861000 792782200 /nfs/dbraw/zinc/78/22/00/792782200.db2.gz WGXSWKOEJQQRHJ-JTQLQIEISA-N 1 0 305.403 2.422 50 0 DEAARO O=C(N[C@@H]1CCc2c[nH]nc2C1)C1([NH+]2CCCC2)CCCCC1 ZINC000952869791 792786452 /nfs/dbraw/zinc/78/64/52/792786452.db2.gz OWNRYWXUEYHFLD-OAHLLOKOSA-N 1 0 316.449 2.182 50 0 DEAARO C[C@H]([NH2+]C[C@]1(O)CCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000952876260 792792108 /nfs/dbraw/zinc/79/21/08/792792108.db2.gz IWNIGGXZUKZIJQ-JKIFEVAISA-N 1 0 300.406 2.469 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCN1CCCC[C@H]1CO)CCC2 ZINC000952971138 792831185 /nfs/dbraw/zinc/83/11/85/792831185.db2.gz RDGSKKRNGUJSBA-SFHVURJKSA-N 1 0 318.461 2.120 50 0 DEAARO CN(C)Cc1nc(C(=O)N(C)CC[N@H+](C)C2CCCC2)cs1 ZINC000952980185 792844848 /nfs/dbraw/zinc/84/48/48/792844848.db2.gz DIGISIDMVHABFN-UHFFFAOYSA-N 1 0 324.494 2.151 50 0 DEAARO CCc1nccn1CCC(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000952982151 792860167 /nfs/dbraw/zinc/86/01/67/792860167.db2.gz FOFGKHSSZGRPKX-UHFFFAOYSA-N 1 0 318.465 2.218 50 0 DEAARO O=C(NCCOc1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000885939041 799512807 /nfs/dbraw/zinc/51/28/07/799512807.db2.gz ODXVFUYHTXGMSI-JSGCOSHPSA-N 1 0 323.824 2.112 50 0 DEAARO CCc1oc(C(=O)Nc2nccn2C)cc1C[NH+]1CCCC1 ZINC001506395968 1061935060 /nfs/dbraw/zinc/93/50/60/1061935060.db2.gz PTVVHQRICJJDBC-UHFFFAOYSA-N 1 0 302.378 2.424 50 0 DEAARO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc2sc(N)nc21 ZINC001506396506 1061935456 /nfs/dbraw/zinc/93/54/56/1061935456.db2.gz UPWFXKXCQPMCLQ-SNVBAGLBSA-N 1 0 304.419 2.467 50 0 DEAARO CC(C)c1noc([C@H]2CCC[N@H+](CCc3nccn3C)C2)n1 ZINC001506429390 1061976402 /nfs/dbraw/zinc/97/64/02/1061976402.db2.gz XUNUHZSGRINUCJ-ZDUSSCGKSA-N 1 0 303.410 2.349 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000062373338 1084233914 /nfs/dbraw/zinc/23/39/14/1084233914.db2.gz BNZGUUDDHGDYAD-CQSZACIVSA-N 1 0 321.421 2.093 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@](O)([C@H]([NH3+])c2ccc(F)cc2)C1 ZINC000958527482 1089047106 /nfs/dbraw/zinc/04/71/06/1089047106.db2.gz AETQVXZIENUXSI-CZUORRHYSA-N 1 0 310.369 2.197 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H]([NH3+])c2ccc(F)cc2)C1 ZINC000958527480 1089047232 /nfs/dbraw/zinc/04/72/32/1089047232.db2.gz AETQVXZIENUXSI-BBRMVZONSA-N 1 0 310.369 2.197 50 0 DEAARO CC(C)CNC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000821319324 1090593687 /nfs/dbraw/zinc/59/36/87/1090593687.db2.gz VSCAFCZKDXLWSH-HNNXBMFYSA-N 1 0 317.433 2.353 50 0 DEAARO C[C@@H](c1cccc(CN(C)C2CCS(=O)(=O)CC2)c1)[NH+](C)C ZINC000823648982 1090690017 /nfs/dbraw/zinc/69/00/17/1090690017.db2.gz LPTTVKROWQQMIZ-AWEZNQCLSA-N 1 0 324.490 2.318 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000095510337 185376175 /nfs/dbraw/zinc/37/61/75/185376175.db2.gz UGIZWTHODXTUTG-MRXNPFEDSA-N 1 0 308.397 2.097 50 0 DEAARO CCn1ccnc1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095522756 185377424 /nfs/dbraw/zinc/37/74/24/185377424.db2.gz UZTUQKJHPCTVTI-HNNXBMFYSA-N 1 0 318.465 2.483 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H](O)c2cccc(F)c2)CC1 ZINC000095531049 185378718 /nfs/dbraw/zinc/37/87/18/185378718.db2.gz CQOIZATYSKNVJR-KRWDZBQOSA-N 1 0 322.424 2.486 50 0 DEAARO c1nc([C@H]2CCOC2)cc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000426571340 230806495 /nfs/dbraw/zinc/80/64/95/230806495.db2.gz BIENNMBSEHPZCM-HNNXBMFYSA-N 1 0 316.449 2.435 50 0 DEAARO COCc1csc(NC(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000078938277 185132087 /nfs/dbraw/zinc/13/20/87/185132087.db2.gz XGSLBQVAGNVYBY-UHFFFAOYSA-N 1 0 312.439 2.143 50 0 DEAARO CC(C)[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000079092736 185157137 /nfs/dbraw/zinc/15/71/37/185157137.db2.gz SKRZWEUZJPKFHG-INIZCTEOSA-N 1 0 307.413 2.061 50 0 DEAARO CCOCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079096366 185157875 /nfs/dbraw/zinc/15/78/75/185157875.db2.gz LTDRZSGJKKWOJS-HNNXBMFYSA-N 1 0 320.433 2.039 50 0 DEAARO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079439682 185171866 /nfs/dbraw/zinc/17/18/66/185171866.db2.gz DSACVEVWPXAAEF-SECBINFHSA-N 1 0 309.218 2.024 50 0 DEAARO CS[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CCS(=O)CC1 ZINC000090114317 185282627 /nfs/dbraw/zinc/28/26/27/185282627.db2.gz ZIVPYHIFFIIAHD-UONOGXRCSA-N 1 0 318.552 2.093 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000090468346 185298114 /nfs/dbraw/zinc/29/81/14/185298114.db2.gz NLTIIIHQYDKNRH-PSASIEDQSA-N 1 0 307.337 2.332 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082099570 192356133 /nfs/dbraw/zinc/35/61/33/192356133.db2.gz UWXGJWZOLJXPAQ-CQSZACIVSA-N 1 0 320.396 2.422 50 0 DEAARO CCCn1ncnc1[C@@H](C)NC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095392861 185351945 /nfs/dbraw/zinc/35/19/45/185351945.db2.gz KCRODSPPXLVDSP-CQSZACIVSA-N 1 0 321.469 2.376 50 0 DEAARO Cc1nn(C)c(N(C)C)c1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000058392212 282268440 /nfs/dbraw/zinc/26/84/40/282268440.db2.gz BOMKDSHEWHWKRU-QGZVFWFLSA-N 1 0 315.465 2.187 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000095395407 185352788 /nfs/dbraw/zinc/35/27/88/185352788.db2.gz NPQQYOLGBVWDLR-QGZVFWFLSA-N 1 0 318.461 2.436 50 0 DEAARO c1[nH]nc2c1cccc2C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000095407045 185356177 /nfs/dbraw/zinc/35/61/77/185356177.db2.gz YWGAFRSEWQOYIO-UHFFFAOYSA-N 1 0 311.341 2.460 50 0 DEAARO C[C@H](Cc1ccsc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000095419856 185360145 /nfs/dbraw/zinc/36/01/45/185360145.db2.gz KOHNFLQMZLBJKJ-GFCCVEGCSA-N 1 0 324.471 2.159 50 0 DEAARO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccs1 ZINC000095421131 185360347 /nfs/dbraw/zinc/36/03/47/185360347.db2.gz UJIGPPNWOASJAZ-LBPRGKRZSA-N 1 0 310.444 2.377 50 0 DEAARO CC[C@H]1COCCN1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000095447914 185368052 /nfs/dbraw/zinc/36/80/52/185368052.db2.gz FXDKMUTXLBOZBG-HNNXBMFYSA-N 1 0 323.412 2.208 50 0 DEAARO CC[C@H](C(=O)N[C@@H](C)c1ccccc1N1CCOCC1)[NH+](C)C ZINC000095450483 185369045 /nfs/dbraw/zinc/36/90/45/185369045.db2.gz HNCNIYNHULJZBC-GOEBONIOSA-N 1 0 319.449 2.041 50 0 DEAARO Cc1nc(C)c(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)s1 ZINC000084062489 539392299 /nfs/dbraw/zinc/39/22/99/539392299.db2.gz YANQFUQRWPRJHI-SWLSCSKDSA-N 1 0 306.435 2.361 50 0 DEAARO COc1ncnc(N)c1C[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000085330279 539400037 /nfs/dbraw/zinc/40/00/37/539400037.db2.gz CNASUONYTSRPJQ-JTQLQIEISA-N 1 0 322.796 2.278 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736336 539398276 /nfs/dbraw/zinc/39/82/76/539398276.db2.gz DSQLLZBVEGTICX-CJNGLKHVSA-N 1 0 308.422 2.145 50 0 DEAARO C[NH+](C)C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000084936562 539398856 /nfs/dbraw/zinc/39/88/56/539398856.db2.gz ZONJMZUFQASFOM-UHFFFAOYSA-N 1 0 308.403 2.148 50 0 DEAARO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000090455091 539415594 /nfs/dbraw/zinc/41/55/94/539415594.db2.gz WCYNTWKPSFMLOG-XHDPSFHLSA-N 1 0 316.380 2.413 50 0 DEAARO Cc1cc(C[C@@H](C)[NH2+][C@H](C)CC(=O)N2CCCCCC2)[nH]n1 ZINC000090528144 539417193 /nfs/dbraw/zinc/41/71/93/539417193.db2.gz ZRWOQHGIVKWCFI-ZIAGYGMSSA-N 1 0 306.454 2.420 50 0 DEAARO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[S@](C)=O ZINC000090843563 539418651 /nfs/dbraw/zinc/41/86/51/539418651.db2.gz ISRHFWLOFWMTDX-SMDDFHAHSA-N 1 0 310.419 2.061 50 0 DEAARO Cn1ccnc1SCCNC(=O)CC[NH+]1CCCCCCC1 ZINC000063832809 190700093 /nfs/dbraw/zinc/70/00/93/190700093.db2.gz 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/nfs/dbraw/zinc/05/50/22/191055022.db2.gz GXJQRCVUMBEKNB-CABCVRRESA-N 1 0 303.406 2.026 50 0 DEAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000072161822 191062466 /nfs/dbraw/zinc/06/24/66/191062466.db2.gz PBQQISDSGNXBSS-GFCCVEGCSA-N 1 0 303.381 2.498 50 0 DEAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000141211147 186029462 /nfs/dbraw/zinc/02/94/62/186029462.db2.gz NURIPIXZZLRZKU-AWEZNQCLSA-N 1 0 305.422 2.297 50 0 DEAARO CC(C)c1nccn1[C@H]1CCCN(C(=O)C[N@H+](C)C2CC2)C1 ZINC000072253233 191087878 /nfs/dbraw/zinc/08/78/78/191087878.db2.gz WPCYYXWGSSMPHW-HNNXBMFYSA-N 1 0 304.438 2.264 50 0 DEAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(C)o2)ncn1 ZINC000072254084 191088993 /nfs/dbraw/zinc/08/89/93/191088993.db2.gz QKLRIBOPKWFIFB-ZDUSSCGKSA-N 1 0 301.394 2.178 50 0 DEAARO c1csc([C@@H](C[NH2+]Cc2ccccn2)N2CCOCC2)c1 ZINC000072276787 191098119 /nfs/dbraw/zinc/09/81/19/191098119.db2.gz OLOMVPRNEXNRNV-OAHLLOKOSA-N 1 0 303.431 2.306 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000152432742 186072577 /nfs/dbraw/zinc/07/25/77/186072577.db2.gz GDERNBYLSCLDPK-ITKZLYELSA-N 1 0 310.829 2.074 50 0 DEAARO COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000072290857 191108686 /nfs/dbraw/zinc/10/86/86/191108686.db2.gz GSHSNTLKQWCKCA-WBVHZDCISA-N 1 0 319.449 2.028 50 0 DEAARO C[C@H](C(=O)N1CCC[C@@H](c2cc[nH]n2)C1)[NH+]1CCCCCC1 ZINC000072300276 191114416 /nfs/dbraw/zinc/11/44/16/191114416.db2.gz QCZCSETZUUFKJX-HUUCEWRRSA-N 1 0 304.438 2.380 50 0 DEAARO C[N@@H+]1CC[C@H](Nc2ncnc3nc(N)ccc32)[C@@H]1c1ccccc1 ZINC000225599859 186282015 /nfs/dbraw/zinc/28/20/15/186282015.db2.gz XFJCETSBULCNRO-HOCLYGCPSA-N 1 0 320.400 2.464 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 ZINC000237467445 186294316 /nfs/dbraw/zinc/29/43/16/186294316.db2.gz QAUSXXHPBUBGCS-QWHCGFSZSA-N 1 0 310.825 2.442 50 0 DEAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3cncn3C)C2)c1 ZINC000237471748 186294593 /nfs/dbraw/zinc/29/45/93/186294593.db2.gz KKCNCLYKBFXQHF-CQSZACIVSA-N 1 0 300.406 2.045 50 0 DEAARO CCc1nccn1CCC(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072433592 191163882 /nfs/dbraw/zinc/16/38/82/191163882.db2.gz AMKJYMUZHBSEQE-CVEARBPZSA-N 1 0 318.465 2.405 50 0 DEAARO CC(C)(C[NH+]1CCC(c2ccncc2)CC1)N1CCOCC1 ZINC000072431824 191164097 /nfs/dbraw/zinc/16/40/97/191164097.db2.gz PIRUZBVFSVHQSG-UHFFFAOYSA-N 1 0 303.450 2.372 50 0 DEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000072436784 191165790 /nfs/dbraw/zinc/16/57/90/191165790.db2.gz WFSVQZNHSZAOCD-UHFFFAOYSA-N 1 0 317.437 2.056 50 0 DEAARO c1cn(CCNc2ncnc3c2CC[NH2+]CC3)c2ccccc12 ZINC000072454006 191171859 /nfs/dbraw/zinc/17/18/59/191171859.db2.gz CYNIEVFLMYXCMA-UHFFFAOYSA-N 1 0 307.401 2.232 50 0 DEAARO C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C[C@H]1COCCO1 ZINC000072459156 191172381 /nfs/dbraw/zinc/17/23/81/191172381.db2.gz BGMLTYWFPPBLJT-KRWDZBQOSA-N 1 0 307.434 2.237 50 0 DEAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccnn1C(F)F ZINC000072469194 191175206 /nfs/dbraw/zinc/17/52/06/191175206.db2.gz QKYTZEKJPDZHJV-NSHDSACASA-N 1 0 300.353 2.225 50 0 DEAARO Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@@H]3CCC[NH2+]3)cc2F)c1 ZINC000072500775 191183842 /nfs/dbraw/zinc/18/38/42/191183842.db2.gz GQMRLCPXUISRCN-DOMZBBRYSA-N 1 0 316.380 2.249 50 0 DEAARO CCCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000002863690 180964638 /nfs/dbraw/zinc/96/46/38/180964638.db2.gz BFCGTPOJQUMTQV-UHFFFAOYSA-N 1 0 300.786 2.102 50 0 DEAARO O=C(NCCC[NH+]1CCCCC1)C(=O)c1c[nH]c2ccccc12 ZINC000004163315 181080219 /nfs/dbraw/zinc/08/02/19/181080219.db2.gz ZMQGAWFNMOLKSW-UHFFFAOYSA-N 1 0 313.401 2.343 50 0 DEAARO COc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1OC ZINC000004745892 181146687 /nfs/dbraw/zinc/14/66/87/181146687.db2.gz JJNNRZFIBMFGFN-UHFFFAOYSA-N 1 0 318.417 2.404 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(F)cc1 ZINC000076057160 355122436 /nfs/dbraw/zinc/12/24/36/355122436.db2.gz WQRHHYKGCTUADQ-HUBLWGQQSA-N 1 0 314.426 2.146 50 0 DEAARO C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076088509 355125546 /nfs/dbraw/zinc/12/55/46/355125546.db2.gz ALAYQVRTZKSEKU-HOCLYGCPSA-N 1 0 318.465 2.130 50 0 DEAARO CC(C)c1nc(CN2CC[NH+](C3CCCCC3)CC2)cc(=O)[nH]1 ZINC000075551871 355092265 /nfs/dbraw/zinc/09/22/65/355092265.db2.gz CPYFHNMFEZAJDI-UHFFFAOYSA-N 1 0 318.465 2.344 50 0 DEAARO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH+]2CCC(=Cc3ccccc3)CC2)C1 ZINC000079498206 355313107 /nfs/dbraw/zinc/31/31/07/355313107.db2.gz NDMKNCINCILARU-OKZBNKHCSA-N 1 0 315.413 2.478 50 0 DEAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000078898522 355284386 /nfs/dbraw/zinc/28/43/86/355284386.db2.gz CHTZXUVZYVCDIJ-SWLSCSKDSA-N 1 0 316.401 2.152 50 0 DEAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC000075838475 191522155 /nfs/dbraw/zinc/52/21/55/191522155.db2.gz BAMBIHYUISBANT-ROUUACIJSA-N 1 0 314.433 2.147 50 0 DEAARO COc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000084714955 355485312 /nfs/dbraw/zinc/48/53/12/355485312.db2.gz YFQQPIPOHLYFTN-CZUORRHYSA-N 1 0 302.418 2.432 50 0 DEAARO COCc1nc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cs1 ZINC000089702154 355541446 /nfs/dbraw/zinc/54/14/46/355541446.db2.gz VUYJEZCGOHLDEB-LBPRGKRZSA-N 1 0 306.435 2.462 50 0 DEAARO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CCSCC1 ZINC000090938558 355570170 /nfs/dbraw/zinc/57/01/70/355570170.db2.gz MKPJGYYFTGRMNB-LBPRGKRZSA-N 1 0 303.431 2.270 50 0 DEAARO C[C@@H](NC(=O)c1cccc(C2OCCO2)c1)C(C)(C)C[NH+](C)C ZINC000097230281 355703029 /nfs/dbraw/zinc/70/30/29/355703029.db2.gz KMBIFQUWPUSEME-CYBMUJFWSA-N 1 0 320.433 2.438 50 0 DEAARO Cn1nccc1CN(CC[NH3+])c1cccc(Br)c1 ZINC000097234031 355703053 /nfs/dbraw/zinc/70/30/53/355703053.db2.gz UZDLPOQYIQUDLH-UHFFFAOYSA-N 1 0 309.211 2.148 50 0 DEAARO Cc1ccnc([C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C2CC2)n1 ZINC000097376512 355705222 /nfs/dbraw/zinc/70/52/22/355705222.db2.gz KFNGYDVRNZSBOS-HZPDHXFCSA-N 1 0 314.433 2.227 50 0 DEAARO CCCCc1nc(Cl)c(C[NH2+]CC2(O)CCOCC2)[nH]1 ZINC000093656628 355686024 /nfs/dbraw/zinc/68/60/24/355686024.db2.gz VSHDYPRCGYCPNG-UHFFFAOYSA-N 1 0 301.818 2.037 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000106637171 355724026 /nfs/dbraw/zinc/72/40/26/355724026.db2.gz XPORAAVKRUWUQU-JJRVBVJISA-N 1 0 320.481 2.479 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1F ZINC000106779054 355725442 /nfs/dbraw/zinc/72/54/42/355725442.db2.gz UFWYNZBGWAMSGS-JKSUJKDBSA-N 1 0 320.408 2.462 50 0 DEAARO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128751371 355829797 /nfs/dbraw/zinc/82/97/97/355829797.db2.gz NBTDJBINRWDKPA-HUUCEWRRSA-N 1 0 302.426 2.404 50 0 DEAARO C[N@H+](CCC1OCCO1)C1CCN(c2ccc(F)cc2)CC1 ZINC000170597027 355986507 /nfs/dbraw/zinc/98/65/07/355986507.db2.gz KREFOKQTUQEMSA-UHFFFAOYSA-N 1 0 308.397 2.489 50 0 DEAARO C[C@@H]1COCCN1CCSc1n[nH]c(Cc2cccs2)n1 ZINC000170605572 355988560 /nfs/dbraw/zinc/98/85/60/355988560.db2.gz IRNRDWDSTQGXJQ-LLVKDONJSA-N 1 0 324.475 2.270 50 0 DEAARO C[C@@H](CN1CCCCCC1)[NH2+]C[C@@H](CO)Cc1ccccn1 ZINC000170606839 355988586 /nfs/dbraw/zinc/98/85/86/355988586.db2.gz ZFNCRHZJRVERTF-IRXDYDNUSA-N 1 0 305.466 2.087 50 0 DEAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000156275316 355952145 /nfs/dbraw/zinc/95/21/45/355952145.db2.gz MZSNVJGVKXQGBB-GXZWQRSESA-N 1 0 315.479 2.342 50 0 DEAARO CC(C)(C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)C(N)=O ZINC000195558742 356256903 /nfs/dbraw/zinc/25/69/03/356256903.db2.gz ZTCCBONCOMIFIA-OAHLLOKOSA-N 1 0 302.418 2.490 50 0 DEAARO O=C(CC1CCCCC1)NC1CC[NH+](CCC2OCCO2)CC1 ZINC000195565967 356257931 /nfs/dbraw/zinc/25/79/31/356257931.db2.gz LNUNXVVWQUJSPB-UHFFFAOYSA-N 1 0 324.465 2.300 50 0 DEAARO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cccnc1 ZINC000081667344 192309233 /nfs/dbraw/zinc/30/92/33/192309233.db2.gz SPVKQDSDZKBWJR-UHFFFAOYSA-N 1 0 317.433 2.094 50 0 DEAARO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236933572 202079333 /nfs/dbraw/zinc/07/93/33/202079333.db2.gz PHEFEDONFWUNPU-KGLIPLIRSA-N 1 0 306.406 2.180 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000237066411 202141348 /nfs/dbraw/zinc/14/13/48/202141348.db2.gz ZLEUOZFFINUBJN-SNVBAGLBSA-N 1 0 310.781 2.140 50 0 DEAARO C[C@@H]1[C@H](C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000585089753 540255768 /nfs/dbraw/zinc/25/57/68/540255768.db2.gz LZRKJUZVWREGRG-KYJSFNMBSA-N 1 0 302.418 2.101 50 0 DEAARO CO[C@H](C[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1)C1CCCCC1 ZINC000585094276 540256580 /nfs/dbraw/zinc/25/65/80/540256580.db2.gz ABZPJOIKIOBYTR-JKSUJKDBSA-N 1 0 322.453 2.262 50 0 DEAARO CC[C@@]1(O)CCOC2(CC[NH+](Cc3cc(C)nn3C)CC2)C1 ZINC000409419918 356736143 /nfs/dbraw/zinc/73/61/43/356736143.db2.gz QJSPYVVGSFQEQZ-MRXNPFEDSA-N 1 0 307.438 2.015 50 0 DEAARO COc1cc(/C=C/C(=O)N2CC[NH2+][C@@H](C)C2)cc(Cl)c1OC ZINC000237166064 202172935 /nfs/dbraw/zinc/17/29/35/202172935.db2.gz RZTWUNXLLVBSPQ-ZWNMCFTASA-N 1 0 324.808 2.191 50 0 DEAARO CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237246683 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COc1cc(C[NH2+][C@@H](C)Cn2nc(C)cc2C)cc2c1OCO2 ZINC000065488885 184352971 /nfs/dbraw/zinc/35/29/71/184352971.db2.gz OQHRJUFPYRULSD-LBPRGKRZSA-N 1 0 317.389 2.416 50 0 DEAARO CCC[NH+]1CCC(NCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000065397140 184335692 /nfs/dbraw/zinc/33/56/92/184335692.db2.gz KRHAVFYUVHWWRR-UHFFFAOYSA-N 1 0 319.449 2.406 50 0 DEAARO COc1cc(NC(=O)C[NH2+][C@@H](C)Cn2cccn2)ccc1Cl ZINC000065398278 184336202 /nfs/dbraw/zinc/33/62/02/184336202.db2.gz YZCLVYREPFVBNU-NSHDSACASA-N 1 0 322.796 2.162 50 0 DEAARO COc1c(CNCc2cccc(C[NH+](C)C)c2)c(C)nn1C ZINC000065536220 184362543 /nfs/dbraw/zinc/36/25/43/184362543.db2.gz ZXALCCNOKJYCOK-UHFFFAOYSA-N 1 0 302.422 2.089 50 0 DEAARO C/C=C(\C)C[NH+]1CCC(CNS(=O)(=O)c2cccnc2)CC1 ZINC000067460050 184468219 /nfs/dbraw/zinc/46/82/19/184468219.db2.gz IIVFYQZJEFIHAF-LZWSPWQCSA-N 1 0 323.462 2.038 50 0 DEAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(Cl)cn2)C1 ZINC000067473161 184469403 /nfs/dbraw/zinc/46/94/03/184469403.db2.gz TUWGWZBGUCASKH-CYBMUJFWSA-N 1 0 312.845 2.021 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000158280388 197258500 /nfs/dbraw/zinc/25/85/00/197258500.db2.gz RJLZNVKJBCEBIT-ZDUSSCGKSA-N 1 0 322.836 2.338 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2csc(Br)c2)C1 ZINC000158035411 197238365 /nfs/dbraw/zinc/23/83/65/197238365.db2.gz OXDVYIBVIRMFPE-FSIBCCDJSA-N 1 0 315.236 2.474 50 0 DEAARO Cc1cc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc(N)[nH+]1 ZINC000054055987 291934431 /nfs/dbraw/zinc/93/44/31/291934431.db2.gz UEGASLFKIWSSIZ-GFCCVEGCSA-N 1 0 313.409 2.027 50 0 DEAARO Cn1cc(CCCNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000095377936 257271939 /nfs/dbraw/zinc/27/19/39/257271939.db2.gz CCOYNDRUXSVKGY-MRXNPFEDSA-N 1 0 318.465 2.124 50 0 DEAARO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)[C@H]1C[NH3+] ZINC000251612455 257237701 /nfs/dbraw/zinc/23/77/01/257237701.db2.gz CEDRIYMHOGJHBE-PWSUYJOCSA-N 1 0 302.827 2.088 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237683416 257238602 /nfs/dbraw/zinc/23/86/02/257238602.db2.gz KFPDKPIRUCUXBJ-CABCVRRESA-N 1 0 319.449 2.465 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237476308 257239118 /nfs/dbraw/zinc/23/91/18/257239118.db2.gz VKVIJCKVHYZXQT-PWSUYJOCSA-N 1 0 316.323 2.422 50 0 DEAARO CC[NH+]1CCN(c2ncnc3c4ccc(OC)cc4[nH]c32)CC1 ZINC000005112122 134469561 /nfs/dbraw/zinc/46/95/61/134469561.db2.gz UYBPNAIXLJRGAU-UHFFFAOYSA-N 1 0 311.389 2.262 50 0 DEAARO CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CO1 ZINC000563585661 292064157 /nfs/dbraw/zinc/06/41/57/292064157.db2.gz SPRXRZTVHWJRGQ-JKSUJKDBSA-N 1 0 317.433 2.116 50 0 DEAARO O=C([O-])CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000262484693 145286865 /nfs/dbraw/zinc/28/68/65/145286865.db2.gz IJIGOAXKZBCCLS-SFHVURJKSA-N 1 0 302.418 2.449 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCCS1 ZINC000371253876 148078121 /nfs/dbraw/zinc/07/81/21/148078121.db2.gz OVTZUAUMIAAFKE-QXSJWSMHSA-N 1 0 302.443 2.129 50 0 DEAARO CCS(=O)(=O)N1CCN(Cc2cc3ccccc3s2)CC1 ZINC000127224136 401725263 /nfs/dbraw/zinc/72/52/63/401725263.db2.gz QTIVFGWVTRQKIJ-UHFFFAOYSA-N 1 0 324.471 2.369 50 0 DEAARO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000007222093 401738021 /nfs/dbraw/zinc/73/80/21/401738021.db2.gz NPFGXOTVTHKJEL-HNNXBMFYSA-N 1 0 317.433 2.336 50 0 DEAARO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCOCC1 ZINC000127584172 401741225 /nfs/dbraw/zinc/74/12/25/401741225.db2.gz UEHDJJZDMRHOEE-XQQFMLRXSA-N 1 0 322.371 2.335 50 0 DEAARO Cc1ncc(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)s1 ZINC000071860054 401688635 /nfs/dbraw/zinc/68/86/35/401688635.db2.gz ZMRFLGPSHPEAIC-CYBMUJFWSA-N 1 0 303.435 2.342 50 0 DEAARO CC1(C)CC(NC(=O)c2ccc3c(c2)OCO3)CC(C)(C)[NH2+]1 ZINC000000206443 401690813 /nfs/dbraw/zinc/69/08/13/401690813.db2.gz YWFCJCLIHJNDAN-UHFFFAOYSA-N 1 0 304.390 2.454 50 0 DEAARO COc1cccc(SCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000071888543 401692697 /nfs/dbraw/zinc/69/26/97/401692697.db2.gz RJSOTIRQVPYXNK-CQSZACIVSA-N 1 0 320.458 2.388 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccccc2)CC1 ZINC000071892876 401693190 /nfs/dbraw/zinc/69/31/90/401693190.db2.gz RMJWVNLVFMKPJG-GOSISDBHSA-N 1 0 317.477 2.167 50 0 DEAARO C[NH+](C)Cc1cccc(CCNC(=O)Cc2cccc(O)c2)c1 ZINC000071910816 401696070 /nfs/dbraw/zinc/69/60/70/401696070.db2.gz XSVBHKAMKSGUGK-UHFFFAOYSA-N 1 0 312.413 2.355 50 0 DEAARO Fc1cc2ncnc(NCCCC[NH+]3CCOCC3)c2cc1F ZINC000071913881 401697051 /nfs/dbraw/zinc/69/70/51/401697051.db2.gz HQBLIYWNFBHSPM-UHFFFAOYSA-N 1 0 322.359 2.432 50 0 DEAARO Cc1ccc2oc(=O)n(CN3CC[NH+](CC(C)C)CC3)c2c1 ZINC000071971536 401699978 /nfs/dbraw/zinc/69/99/78/401699978.db2.gz DFNPZQWTJLZCMU-UHFFFAOYSA-N 1 0 303.406 2.134 50 0 DEAARO O[C@H]1CN(c2cc(Cl)c3cc[nH]c3n2)C[C@@H]1[NH+]1CCCCC1 ZINC000072153488 401703259 /nfs/dbraw/zinc/70/32/59/401703259.db2.gz UVGBDMBLQSFHJL-KBPBESRZSA-N 1 0 320.824 2.252 50 0 DEAARO CCOC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000001707950 401709787 /nfs/dbraw/zinc/70/97/87/401709787.db2.gz LRJQXEYJXMMPOA-CQSZACIVSA-N 1 0 307.390 2.251 50 0 DEAARO CC[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000002643979 401715938 /nfs/dbraw/zinc/71/59/38/401715938.db2.gz CDBGWZUTFURIPQ-UHFFFAOYSA-N 1 0 320.311 2.279 50 0 DEAARO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000013145872 401797205 /nfs/dbraw/zinc/79/72/05/401797205.db2.gz CUXCKSIMWNVHKG-APHBMKBZSA-N 1 0 313.825 2.235 50 0 DEAARO Cc1nc(C)n(C[C@@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000075132133 401751008 /nfs/dbraw/zinc/75/10/08/401751008.db2.gz OBTUXNCHJCBVDI-SFHVURJKSA-N 1 0 314.433 2.229 50 0 DEAARO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C ZINC000075145343 401752173 /nfs/dbraw/zinc/75/21/73/401752173.db2.gz ZSJRLANZGISHGH-DZGCQCFKSA-N 1 0 323.506 2.477 50 0 DEAARO COc1cc(-c2nc3c(s2)C[NH2+]CC3)cc(OC)c1OC ZINC000008733307 401755884 /nfs/dbraw/zinc/75/58/84/401755884.db2.gz KBBZUXKZIATJNF-UHFFFAOYSA-N 1 0 306.387 2.482 50 0 DEAARO O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861938 401757329 /nfs/dbraw/zinc/75/73/29/401757329.db2.gz PYXCABGPCXIUPQ-PKOBYXMFSA-N 1 0 319.384 2.370 50 0 DEAARO COC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000010125654 401767897 /nfs/dbraw/zinc/76/78/97/401767897.db2.gz ZTGKMRFVXCYLGB-UHFFFAOYSA-N 1 0 321.421 2.021 50 0 DEAARO Cc1cccc([C@@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)c1C ZINC000075999676 401776390 /nfs/dbraw/zinc/77/63/90/401776390.db2.gz FKOMJDRDXAOVCL-INIZCTEOSA-N 1 0 315.417 2.382 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2cn(C3CCCCC3)nn2)CC1 ZINC000011873596 401777611 /nfs/dbraw/zinc/77/76/11/401777611.db2.gz DNSHZDTYCKFLSD-UHFFFAOYSA-N 1 0 319.453 2.388 50 0 DEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccco1 ZINC000011853318 401777701 /nfs/dbraw/zinc/77/77/01/401777701.db2.gz JHZKLOMEMQUTHE-UHFFFAOYSA-N 1 0 313.401 2.222 50 0 DEAARO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+]C(C)(C)C ZINC000014250046 401810682 /nfs/dbraw/zinc/81/06/82/401810682.db2.gz KEGKEEZSRXSOAD-UHFFFAOYSA-N 1 0 305.422 2.088 50 0 DEAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccncc2)CC1 ZINC000012436137 401785641 /nfs/dbraw/zinc/78/56/41/401785641.db2.gz HXWUHNOLJOYJSW-UHFFFAOYSA-N 1 0 306.406 2.263 50 0 DEAARO Cc1ccc(F)c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000076331560 401790808 /nfs/dbraw/zinc/79/08/08/401790808.db2.gz NZOIUTGKVDRSCL-AWEZNQCLSA-N 1 0 323.412 2.493 50 0 DEAARO O=C(CCCn1ccnc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077534866 401819175 /nfs/dbraw/zinc/81/91/75/401819175.db2.gz HJUCCJFMXRUMCX-UHFFFAOYSA-N 1 0 304.438 2.140 50 0 DEAARO CC1CC[NH+](CCN(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000079094844 401869770 /nfs/dbraw/zinc/86/97/70/401869770.db2.gz CASVBXJGVILUFT-GOSISDBHSA-N 1 0 315.461 2.456 50 0 DEAARO Cc1ccn(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000014965031 401814370 /nfs/dbraw/zinc/81/43/70/401814370.db2.gz PRXBSHCFLAWMRN-MRXNPFEDSA-N 1 0 318.465 2.495 50 0 DEAARO OCc1ccc(-c2nccn2[C@H]2COC[C@@H]2[NH+]2CCCCC2)o1 ZINC000077437518 401815372 /nfs/dbraw/zinc/81/53/72/401815372.db2.gz KKRCEZHTBSSBHX-GJZGRUSLSA-N 1 0 317.389 2.061 50 0 DEAARO CC[C@@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000117345305 401875048 /nfs/dbraw/zinc/87/50/48/401875048.db2.gz RAOJRIMSQNKAQK-CQSZACIVSA-N 1 0 315.417 2.484 50 0 DEAARO CC[NH+](CC)CCNC(=O)[C@H](C)Cn1nc(C)c(Cl)c1C ZINC000032611198 401880294 /nfs/dbraw/zinc/88/02/94/401880294.db2.gz COAWTSZHGCYDPZ-LLVKDONJSA-N 1 0 314.861 2.247 50 0 DEAARO CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000032797240 401882922 /nfs/dbraw/zinc/88/29/22/401882922.db2.gz WHBUDJZWPOLDOO-GFCCVEGCSA-N 1 0 311.376 2.319 50 0 DEAARO C[NH+](C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032781221 401883037 /nfs/dbraw/zinc/88/30/37/401883037.db2.gz ZOZLGFNVPIUHFO-HNNXBMFYSA-N 1 0 312.369 2.448 50 0 DEAARO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000036103384 401902729 /nfs/dbraw/zinc/90/27/29/401902729.db2.gz PNYKTTISVDXPBG-UHFFFAOYSA-N 1 0 302.418 2.179 50 0 DEAARO Cc1nccn1CCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000084290840 401904236 /nfs/dbraw/zinc/90/42/36/401904236.db2.gz HKNHQLUWBCETFB-KRWDZBQOSA-N 1 0 318.465 2.495 50 0 DEAARO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000084689587 401908870 /nfs/dbraw/zinc/90/88/70/401908870.db2.gz XBJJHQDGFPXVLS-JKIFEVAISA-N 1 0 321.469 2.291 50 0 DEAARO COc1ccccc1NC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000085906176 401919869 /nfs/dbraw/zinc/91/98/69/401919869.db2.gz KKPVRZIGVCYKQM-UHFFFAOYSA-N 1 0 317.433 2.192 50 0 DEAARO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)C(C)C)c2c1c(C)n[nH]c2=O ZINC000089568154 401952451 /nfs/dbraw/zinc/95/24/51/401952451.db2.gz PRYIDIJVOMJZDU-SNVBAGLBSA-N 1 0 320.393 2.460 50 0 DEAARO C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc2C1)c1cnccn1 ZINC000089617348 401953971 /nfs/dbraw/zinc/95/39/71/401953971.db2.gz VNDNTIOXTVNDAC-HNNXBMFYSA-N 1 0 324.428 2.492 50 0 DEAARO C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000089639780 401955235 /nfs/dbraw/zinc/95/52/35/401955235.db2.gz CGZIWXVYKDPYOV-BBRMVZONSA-N 1 0 309.454 2.260 50 0 DEAARO CC1CC[NH+](CCNS(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000045745100 401961173 /nfs/dbraw/zinc/96/11/73/401961173.db2.gz DUTFXKPLKSGZKH-UHFFFAOYSA-N 1 0 322.474 2.186 50 0 DEAARO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCCS2(=O)=O)s1 ZINC000089761517 401961188 /nfs/dbraw/zinc/96/11/88/401961188.db2.gz WCTXOHKZNVOKJO-NSHDSACASA-N 1 0 302.465 2.107 50 0 DEAARO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3Cc4ccccc4O3)cc12 ZINC000048353680 401999062 /nfs/dbraw/zinc/99/90/62/401999062.db2.gz YDERWLXBIVUKDX-HNNXBMFYSA-N 1 0 308.385 2.370 50 0 DEAARO CC(C)(C)OC(=O)N[C@]1(CO)CC[N@H+](Cc2ccccc2)C1 ZINC000048056615 401993120 /nfs/dbraw/zinc/99/31/20/401993120.db2.gz YAJSWXXRXAAIHN-QGZVFWFLSA-N 1 0 306.406 2.148 50 0 DEAARO CCOC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(C)o2)CC1 ZINC000089157137 401937894 /nfs/dbraw/zinc/93/78/94/401937894.db2.gz ITZFWXOWPXNBNR-MRXNPFEDSA-N 1 0 310.394 2.006 50 0 DEAARO C[NH2+]CC(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000091435299 401996650 /nfs/dbraw/zinc/99/66/50/401996650.db2.gz PPDYHZQKMQWKSY-LBPRGKRZSA-N 1 0 304.438 2.123 50 0 DEAARO COC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000089406922 401945356 /nfs/dbraw/zinc/94/53/56/401945356.db2.gz KEGIUYMBVYYOBL-IBGZPJMESA-N 1 0 311.381 2.397 50 0 DEAARO O=C(/C=C/c1cccc(F)c1)NCCCC[NH+]1CCOCC1 ZINC000048284636 401997113 /nfs/dbraw/zinc/99/71/13/401997113.db2.gz ROSGQIHAJXMWBZ-VOTSOKGWSA-N 1 0 306.381 2.068 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCc1csc(N)n1 ZINC000095355340 402027276 /nfs/dbraw/zinc/02/72/76/402027276.db2.gz FVJPKKMHRQVAMU-ZDUSSCGKSA-N 1 0 310.467 2.039 50 0 DEAARO Nc1nc(NCc2ccccc2-n2cncn2)c2c([nH+]1)CCCC2 ZINC000095371694 402029340 /nfs/dbraw/zinc/02/93/40/402029340.db2.gz DNTFCSDNVCALRR-UHFFFAOYSA-N 1 0 321.388 2.130 50 0 DEAARO CCCCSc1nc(N)cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000095375039 402029563 /nfs/dbraw/zinc/02/95/63/402029563.db2.gz OZRQZHXKSYQOSQ-NWDGAFQWSA-N 1 0 307.467 2.091 50 0 DEAARO CCCO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000095971122 402039233 /nfs/dbraw/zinc/03/92/33/402039233.db2.gz SRNOCYFMTPHHGO-SJORKVTESA-N 1 0 304.434 2.364 50 0 DEAARO O=S(=O)(C(F)F)N1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095973162 402039774 /nfs/dbraw/zinc/03/97/74/402039774.db2.gz MPINJACSSUTOIG-LBPRGKRZSA-N 1 0 322.421 2.197 50 0 DEAARO OC[C@@]1([NH2+]C[C@H](O)c2ccccc2F)CCc2ccccc21 ZINC000095980395 402041622 /nfs/dbraw/zinc/04/16/22/402041622.db2.gz RJXKXSNGHTXWMQ-ROUUACIJSA-N 1 0 301.361 2.283 50 0 DEAARO Cn1cc([C@@H](O)C[NH2+]Cc2cn(C)nc2C2CCCCC2)cn1 ZINC000096010155 402046773 /nfs/dbraw/zinc/04/67/73/402046773.db2.gz FHEPCMLSMDHOIH-INIZCTEOSA-N 1 0 317.437 2.025 50 0 DEAARO CC[C@H](CO)[NH+]1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000096012967 402047422 /nfs/dbraw/zinc/04/74/22/402047422.db2.gz APQCBNLRFQWCPD-LLVKDONJSA-N 1 0 318.248 2.277 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000053202511 402052051 /nfs/dbraw/zinc/05/20/51/402052051.db2.gz VRVLZPCQXMZTKO-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCc1cnn(C)c1)O[C@@H](C)C2 ZINC000048784523 402007856 /nfs/dbraw/zinc/00/78/56/402007856.db2.gz DYDBAABBESFQCF-LBPRGKRZSA-N 1 0 301.390 2.084 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122315353 402071743 /nfs/dbraw/zinc/07/17/43/402071743.db2.gz KPKPRVVJUMAPSF-MRVPVSSYSA-N 1 0 301.159 2.152 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)ccc1Br ZINC000122335727 402073074 /nfs/dbraw/zinc/07/30/74/402073074.db2.gz DYCMIZMCWBDVKC-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO CCS(=O)(=O)N1CCC([NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000096297194 402076689 /nfs/dbraw/zinc/07/66/89/402076689.db2.gz LNSDUKIYCLUUML-SQFISAMPSA-N 1 0 322.474 2.494 50 0 DEAARO COCC[NH+]1CCC(NC(=O)/C=C(/C)c2ccc(F)cc2)CC1 ZINC000096402386 402077871 /nfs/dbraw/zinc/07/78/71/402077871.db2.gz CMWRSAXLDBQJCV-YPKPFQOOSA-N 1 0 320.408 2.456 50 0 DEAARO CC(C)C[N@H+](Cc1cnn(C)c1)CC(C)(C)CN1CCOCC1 ZINC000055284358 402079372 /nfs/dbraw/zinc/07/93/72/402079372.db2.gz SSESKJCFQVBNCI-UHFFFAOYSA-N 1 0 322.497 2.237 50 0 DEAARO c1cn(CCC[N@@H+](Cc2cccnc2)C[C@H]2CCOC2)cn1 ZINC000055344583 402080614 /nfs/dbraw/zinc/08/06/14/402080614.db2.gz RAQQRTOXBSHLAU-QGZVFWFLSA-N 1 0 300.406 2.207 50 0 DEAARO CC(C)OCC[NH+]1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000096447396 402089124 /nfs/dbraw/zinc/08/91/24/402089124.db2.gz HMHAGYJANVFPOY-UHFFFAOYSA-N 1 0 311.470 2.461 50 0 DEAARO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCCc1cc(F)cc(F)c1 ZINC000096491754 402095654 /nfs/dbraw/zinc/09/56/54/402095654.db2.gz IESAKJYTCBADTM-GJZGRUSLSA-N 1 0 317.401 2.453 50 0 DEAARO C1=CC[C@H](C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000096490048 402095704 /nfs/dbraw/zinc/09/57/04/402095704.db2.gz GSHMNDCKCAMQEF-AWEZNQCLSA-N 1 0 302.422 2.421 50 0 DEAARO CCn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cn1 ZINC000096489533 402095850 /nfs/dbraw/zinc/09/58/50/402095850.db2.gz IDQCRXDGTLQAAN-UHFFFAOYSA-N 1 0 312.417 2.297 50 0 DEAARO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000096491658 402095896 /nfs/dbraw/zinc/09/58/96/402095896.db2.gz UNWWRLYPZQYZPA-WBVHZDCISA-N 1 0 323.458 2.109 50 0 DEAARO CCN(CC)C(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493051 402096608 /nfs/dbraw/zinc/09/66/08/402096608.db2.gz LUGGENGHMFXEKS-QZTJIDSGSA-N 1 0 316.445 2.225 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)c(C)nn1C ZINC000058343029 402100115 /nfs/dbraw/zinc/10/01/15/402100115.db2.gz IROLCVCACFYECJ-AWEZNQCLSA-N 1 0 308.451 2.191 50 0 DEAARO COC(=O)CCCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000097102286 402107254 /nfs/dbraw/zinc/10/72/54/402107254.db2.gz XIYDLEDTPRPJOE-HNNXBMFYSA-N 1 0 316.401 2.341 50 0 DEAARO C[NH+](C)CC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000097104312 402107807 /nfs/dbraw/zinc/10/78/07/402107807.db2.gz QFTILUDBXRPUCN-UHFFFAOYSA-N 1 0 320.220 2.224 50 0 DEAARO CCS(=O)(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000097164234 402113515 /nfs/dbraw/zinc/11/35/15/402113515.db2.gz DZGMYZZBMJMION-UHFFFAOYSA-N 1 0 312.435 2.313 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000097199380 402115450 /nfs/dbraw/zinc/11/54/50/402115450.db2.gz WMKFBOACPFABRF-LLVKDONJSA-N 1 0 305.451 2.445 50 0 DEAARO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200622 402115738 /nfs/dbraw/zinc/11/57/38/402115738.db2.gz KTWRCNKIJSTWAS-RHSMWYFYSA-N 1 0 310.401 2.042 50 0 DEAARO O[C@@H](COCc1cccs1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097200412 402116195 /nfs/dbraw/zinc/11/61/95/402116195.db2.gz KVJDEASMASFQKL-OAHLLOKOSA-N 1 0 321.446 2.228 50 0 DEAARO Cc1nc2cc(NC(=O)NCC[NH+]3CCCCC3)ccc2[nH]1 ZINC000096141850 402062286 /nfs/dbraw/zinc/06/22/86/402062286.db2.gz KSFFIKMHXDLRHS-UHFFFAOYSA-N 1 0 301.394 2.479 50 0 DEAARO C[C@@H](C1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1)[NH+](C)C ZINC000096151877 402062609 /nfs/dbraw/zinc/06/26/09/402062609.db2.gz BEMLEDSXJBJUNM-ZDUSSCGKSA-N 1 0 316.449 2.140 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000096154032 402062767 /nfs/dbraw/zinc/06/27/67/402062767.db2.gz ZGDZHTSMRWDAPI-AWEZNQCLSA-N 1 0 319.405 2.387 50 0 DEAARO O=C(/C=C\c1ccncc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000096158026 402063285 /nfs/dbraw/zinc/06/32/85/402063285.db2.gz WNIFCXGWTSFDRI-WAYWQWQTSA-N 1 0 307.397 2.269 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000097238338 402119589 /nfs/dbraw/zinc/11/95/89/402119589.db2.gz YLXHHRVKCOQUNE-INIZCTEOSA-N 1 0 314.385 2.166 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CSc1cn(C)c2ccccc12 ZINC000096162011 402064251 /nfs/dbraw/zinc/06/42/51/402064251.db2.gz CNJCBHHBIBMLPU-GFCCVEGCSA-N 1 0 303.431 2.091 50 0 DEAARO CCC[NH2+]CCNC(=O)c1ccc(Br)cc1OC ZINC000122210399 402067122 /nfs/dbraw/zinc/06/71/22/402067122.db2.gz POELKPSAMXUEHF-UHFFFAOYSA-N 1 0 315.211 2.187 50 0 DEAARO Cc1cc(O)cc(C)c1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000065419667 402124624 /nfs/dbraw/zinc/12/46/24/402124624.db2.gz LTQMTCNRYMISQT-UHFFFAOYSA-N 1 0 316.380 2.260 50 0 DEAARO Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)cc2)o1 ZINC000097546597 402126764 /nfs/dbraw/zinc/12/67/64/402126764.db2.gz BPGVDPRHNBNNRU-IYBDPMFKSA-N 1 0 324.380 2.302 50 0 DEAARO COCC1(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000097527362 402126950 /nfs/dbraw/zinc/12/69/50/402126950.db2.gz MMAAGXQVLNDSIL-UHFFFAOYSA-N 1 0 316.445 2.409 50 0 DEAARO CCC[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000097595761 402127417 /nfs/dbraw/zinc/12/74/17/402127417.db2.gz VFFZZIATBBWJGV-UHFFFAOYSA-N 1 0 318.421 2.090 50 0 DEAARO c1cn2nc(N3CC[NH+](CCCc4ccccc4)CC3)ccc2n1 ZINC000097601106 402127935 /nfs/dbraw/zinc/12/79/35/402127935.db2.gz QSHQLMAYQKTXMV-UHFFFAOYSA-N 1 0 321.428 2.484 50 0 DEAARO CC(C)c1nc(CC[N@H+](C)Cc2cccc3nonc32)no1 ZINC000097694788 402130525 /nfs/dbraw/zinc/13/05/25/402130525.db2.gz WPJHGMRRXPVWDL-UHFFFAOYSA-N 1 0 301.350 2.404 50 0 DEAARO C[C@@H](O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000097372265 402123060 /nfs/dbraw/zinc/12/30/60/402123060.db2.gz UMAKDRZCYQBHPP-MRVPVSSYSA-N 1 0 301.177 2.045 50 0 DEAARO O[C@@H](C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F ZINC000097378160 402123271 /nfs/dbraw/zinc/12/32/71/402123271.db2.gz GWLCIGOPPQAPIB-KBPBESRZSA-N 1 0 317.307 2.422 50 0 DEAARO COc1c(CN[C@@H](C[NH+](C)C)c2ccccc2)c(C)nn1C ZINC000058343027 286184166 /nfs/dbraw/zinc/18/41/66/286184166.db2.gz GDSMDFPLKYZYMA-INIZCTEOSA-N 1 0 302.422 2.130 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000154160194 402196440 /nfs/dbraw/zinc/19/64/40/402196440.db2.gz UFDXKNONPOOIQL-ZNMIVQPWSA-N 1 0 318.417 2.067 50 0 DEAARO C[C@H]1CN(C(=O)Cc2ccc(Br)s2)C[C@H](C)[NH2+]1 ZINC000154243595 402201278 /nfs/dbraw/zinc/20/12/78/402201278.db2.gz NOKBMQVZXSZWOA-IUCAKERBSA-N 1 0 317.252 2.262 50 0 DEAARO O[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067473406 402160482 /nfs/dbraw/zinc/16/04/82/402160482.db2.gz PBPVTDPXVMPQFT-JKSUJKDBSA-N 1 0 312.369 2.161 50 0 DEAARO O[C@@H]1C[N@H+](Cc2ccco2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067697359 402168498 /nfs/dbraw/zinc/16/84/98/402168498.db2.gz PKPSDUACBKLEMG-LSDHHAIUSA-N 1 0 301.342 2.359 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000067819063 402173571 /nfs/dbraw/zinc/17/35/71/402173571.db2.gz IOYKDRPQUVUOCA-CYBMUJFWSA-N 1 0 306.406 2.166 50 0 DEAARO c1ncn(-c2ccccc2C[NH2+]C2CSCCSC2)n1 ZINC000067850437 402174763 /nfs/dbraw/zinc/17/47/63/402174763.db2.gz XOVSXDIFDJBYNM-UHFFFAOYSA-N 1 0 306.460 2.206 50 0 DEAARO Cc1ccsc1C[N@@H+](C)Cc1cnc(N2CCOCC2)nc1 ZINC000067908444 402177983 /nfs/dbraw/zinc/17/79/83/402177983.db2.gz GMKRXUQWDOTLEE-UHFFFAOYSA-N 1 0 318.446 2.315 50 0 DEAARO CN(C)[C@@H](C[NH2+]CCn1c2ccccc2oc1=O)c1ccco1 ZINC000069157780 402214951 /nfs/dbraw/zinc/21/49/51/402214951.db2.gz DGPWHHSXAWSVTQ-AWEZNQCLSA-N 1 0 315.373 2.080 50 0 DEAARO CC[C@@H]1CN(Cc2nc3ccccc3o2)CC[N@@H+]1C[C@H](C)O ZINC000106906689 402221734 /nfs/dbraw/zinc/22/17/34/402221734.db2.gz IVUWYJMOZCXOFV-UONOGXRCSA-N 1 0 303.406 2.105 50 0 DEAARO CC[C@H]1CN(Cc2nc3ccccc3o2)CC[N@@H+]1C[C@H](C)O ZINC000106906692 402221828 /nfs/dbraw/zinc/22/18/28/402221828.db2.gz IVUWYJMOZCXOFV-KBPBESRZSA-N 1 0 303.406 2.105 50 0 DEAARO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H]1CCCO1 ZINC000106907854 402221930 /nfs/dbraw/zinc/22/19/30/402221930.db2.gz NVIGZZYRBSCWAG-LSDHHAIUSA-N 1 0 310.463 2.232 50 0 DEAARO Cc1nn(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c(C)c1Cl ZINC000069571434 402232595 /nfs/dbraw/zinc/23/25/95/402232595.db2.gz WLCLFKBCXVPOBR-KGLIPLIRSA-N 1 0 324.856 2.239 50 0 DEAARO Cc1noc(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069709216 402240672 /nfs/dbraw/zinc/24/06/72/402240672.db2.gz SGZBHGLAEMCAQV-CVEARBPZSA-N 1 0 305.422 2.309 50 0 DEAARO C[NH+](C)CCSCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000069780165 402244194 /nfs/dbraw/zinc/24/41/94/402244194.db2.gz GPRFUCZTCZYTDC-UHFFFAOYSA-N 1 0 304.419 2.106 50 0 DEAARO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069814764 402245497 /nfs/dbraw/zinc/24/54/97/402245497.db2.gz OEBBOPMILCDQHA-XJKSGUPXSA-N 1 0 308.397 2.019 50 0 DEAARO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000069815199 402245898 /nfs/dbraw/zinc/24/58/98/402245898.db2.gz BAGOMSBZKFSCKC-WMZOPIPTSA-N 1 0 314.433 2.341 50 0 DEAARO COc1ccc([C@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1Cl ZINC000069869757 402248475 /nfs/dbraw/zinc/24/84/75/402248475.db2.gz JRBWJEAKUMVAOM-STQMWFEESA-N 1 0 312.841 2.408 50 0 DEAARO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000069922518 402251294 /nfs/dbraw/zinc/25/12/94/402251294.db2.gz DWWHPCVQOUODLW-JKSUJKDBSA-N 1 0 318.465 2.483 50 0 DEAARO Cc1nc(CCC(=O)N2CC[NH2+]C[C@@H]2C)oc1-c1ccccc1 ZINC000125854826 402253621 /nfs/dbraw/zinc/25/36/21/402253621.db2.gz RDSUIRIMADKYKJ-ZDUSSCGKSA-N 1 0 313.401 2.403 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000070173732 402258206 /nfs/dbraw/zinc/25/82/06/402258206.db2.gz BLOMDXSUJSPZMO-ZYHUDNBSSA-N 1 0 302.465 2.113 50 0 DEAARO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145123 402270345 /nfs/dbraw/zinc/27/03/45/402270345.db2.gz KAYGWBDPXASPQL-UONOGXRCSA-N 1 0 310.463 2.430 50 0 DEAARO CN(C(=O)c1ccc(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000071310047 402272398 /nfs/dbraw/zinc/27/23/98/402272398.db2.gz 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COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCCSC2)C1=O ZINC000097084622 278055755 /nfs/dbraw/zinc/05/57/55/278055755.db2.gz PPXDAVIWBRFNIX-OLZOCXBDSA-N 1 0 306.431 2.286 50 0 DEAARO C[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@@H]1C ZINC000096004775 278522089 /nfs/dbraw/zinc/52/20/89/278522089.db2.gz RRHZACOTQPQRMH-IOASZLSFSA-N 1 0 314.495 2.357 50 0 DEAARO C[C@@H]1c2ccsc2CC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000040515873 279143579 /nfs/dbraw/zinc/14/35/79/279143579.db2.gz BVHNPOKLMAYGQW-LLVKDONJSA-N 1 0 321.446 2.388 50 0 DEAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCS(C)(=O)=O ZINC000088562117 281160283 /nfs/dbraw/zinc/16/02/83/281160283.db2.gz DYTHEZOMHWTHAW-HNNXBMFYSA-N 1 0 310.463 2.152 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)Nc2nc(C)cs2)c1 ZINC000069841510 293005958 /nfs/dbraw/zinc/00/59/58/293005958.db2.gz OBRIAGLJEZRAED-NWDGAFQWSA-N 1 0 307.423 2.134 50 0 DEAARO Cc1[nH]c(=O)c(C(=O)N2CC([NH+]3CCCCC3)C2)c(C)c1C ZINC000426574655 293345926 /nfs/dbraw/zinc/34/59/26/293345926.db2.gz CJIWCQJASJHBFS-UHFFFAOYSA-N 1 0 303.406 2.023 50 0 DEAARO C[C@@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000271495968 297254637 /nfs/dbraw/zinc/25/46/37/297254637.db2.gz HBXVSKAUHCRDHU-VYDXJSESSA-N 1 0 319.449 2.404 50 0 DEAARO C[C@@H](CCC(=O)NCc1cccc(CO)c1)[NH+]1CCCCC1 ZINC000534587886 334292975 /nfs/dbraw/zinc/29/29/75/334292975.db2.gz IEMDTVXFYAOZDC-HNNXBMFYSA-N 1 0 304.434 2.450 50 0 DEAARO CCc1ccccc1OC1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000534649368 334317018 /nfs/dbraw/zinc/31/70/18/334317018.db2.gz ZTPFCWSYAXGXPM-HNNXBMFYSA-N 1 0 317.433 2.116 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)N2CC(Oc3ccccc3)C2)C1 ZINC000534661990 334322378 /nfs/dbraw/zinc/32/23/78/334322378.db2.gz OXTHHIZQYQFUHC-HNNXBMFYSA-N 1 0 317.433 2.191 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)CC2 ZINC000097098927 337382203 /nfs/dbraw/zinc/38/22/03/337382203.db2.gz HOSAAMJLDIMNTJ-RRFJBIMHSA-N 1 0 304.438 2.321 50 0 DEAARO O=C(N[C@H]1CC[NH2+]C1)c1csc(-c2c(F)cccc2F)n1 ZINC000178455788 341955021 /nfs/dbraw/zinc/95/50/21/341955021.db2.gz WWDKQAKPRFDCAP-QMMMGPOBSA-N 1 0 309.341 2.180 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000245611903 534197534 /nfs/dbraw/zinc/19/75/34/534197534.db2.gz VTZGBBJFVHJVAG-FZZIBODNSA-N 1 0 312.772 2.351 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000188370514 534390809 /nfs/dbraw/zinc/39/08/09/534390809.db2.gz GDSYRVGOBMOTOI-SWHYSGLUSA-N 1 0 323.234 2.373 50 0 DEAARO COC(=O)[C@@H]1C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000337309771 523804485 /nfs/dbraw/zinc/80/44/85/523804485.db2.gz ZNEWEKMKPLRKCE-CHWSQXEVSA-N 1 0 301.346 2.075 50 0 DEAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1ccccc1 ZINC000299774319 534782057 /nfs/dbraw/zinc/78/20/57/534782057.db2.gz BXHJQRLLELODPJ-MSOLQXFVSA-N 1 0 322.408 2.153 50 0 DEAARO CC(C)NC(=O)[C@@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242273516 529145773 /nfs/dbraw/zinc/14/57/73/529145773.db2.gz YDHJNFKRRRBVIO-ZWKOTPCHSA-N 1 0 315.461 2.422 50 0 DEAARO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCCOC1 ZINC000170019487 563902526 /nfs/dbraw/zinc/90/25/26/563902526.db2.gz ONOKOHUDYZWCMA-LBPRGKRZSA-N 1 0 319.357 2.497 50 0 DEAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCOC1 ZINC000074585533 625352980 /nfs/dbraw/zinc/35/29/80/625352980.db2.gz GBHTYTZIBDQRGX-GFCCVEGCSA-N 1 0 302.374 2.403 50 0 DEAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000319518584 625707822 /nfs/dbraw/zinc/70/78/22/625707822.db2.gz AILZURITFCRCKI-KRWDZBQOSA-N 1 0 306.369 2.381 50 0 DEAARO OCCCCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000023095228 625066232 /nfs/dbraw/zinc/06/62/32/625066232.db2.gz SJVALVJEKQFIIB-QGZVFWFLSA-N 1 0 302.462 2.182 50 0 DEAARO CCCn1cc(-c2nc(C3CC[NH+](C)CC3)cc(=O)[nH]2)c(C)n1 ZINC000023429999 625069039 /nfs/dbraw/zinc/06/90/39/625069039.db2.gz WUVDIJAEYILWMJ-UHFFFAOYSA-N 1 0 315.421 2.161 50 0 DEAARO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000888100500 635551185 /nfs/dbraw/zinc/55/11/85/635551185.db2.gz AEVZZNTVMXLCIG-CYBMUJFWSA-N 1 0 301.394 2.044 50 0 DEAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1[C@@H]1CCOC1 ZINC000011976305 635928309 /nfs/dbraw/zinc/92/83/09/635928309.db2.gz HPUGQUJAASOELE-HUUCEWRRSA-N 1 0 306.381 2.085 50 0 DEAARO COCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)CCC1=O ZINC000012279939 636091992 /nfs/dbraw/zinc/09/19/92/636091992.db2.gz WOZKZLDCUQLZGX-MRXNPFEDSA-N 1 0 304.434 2.188 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C(/C)Cc2ccccc2OC)C1 ZINC000178983738 637543150 /nfs/dbraw/zinc/54/31/50/637543150.db2.gz YKRUNGXCFMTHNJ-QKXCFHHRSA-N 1 0 302.418 2.252 50 0 DEAARO Cc1ccc2cccc(OCCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2n1 ZINC000072448008 649415004 /nfs/dbraw/zinc/41/50/04/649415004.db2.gz IWHYAYGYWVDDSY-LSDHHAIUSA-N 1 0 313.401 2.166 50 0 DEAARO CN(C)c1ccc([C@@H]2CCCN2Cc2cccc(F)n2)nn1 ZINC000852194061 652361403 /nfs/dbraw/zinc/36/14/03/652361403.db2.gz FYIUVWGCMKGXPS-AWEZNQCLSA-N 1 0 301.369 2.414 50 0 DEAARO COc1cc2nc(N3CC[NH+](C)CC3)cc(C)c2c(OC)c1 ZINC000000227812 683830547 /nfs/dbraw/zinc/83/05/47/683830547.db2.gz KVMDWBUHXMCYCE-UHFFFAOYSA-N 1 0 301.390 2.312 50 0 DEAARO Cc1nn2cc(CC[NH2+][C@H]3COc4ccccc4C3)nc2s1 ZINC000039447885 683887707 /nfs/dbraw/zinc/88/77/07/683887707.db2.gz GNWFHYFQGSVFGF-CQSZACIVSA-N 1 0 314.414 2.235 50 0 DEAARO CC(=O)c1ccccc1NC(=O)CC[NH2+]CC1CCOCC1 ZINC000065396507 683923295 /nfs/dbraw/zinc/92/32/95/683923295.db2.gz BAMIOWUQUXAACJ-UHFFFAOYSA-N 1 0 304.390 2.234 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)CC1 ZINC000072174261 683928327 /nfs/dbraw/zinc/92/83/27/683928327.db2.gz GYHWUOMACLYCKY-ZDUSSCGKSA-N 1 0 313.405 2.028 50 0 DEAARO CCc1ncc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000077540861 683953238 /nfs/dbraw/zinc/95/32/38/683953238.db2.gz HNKGKIPZNNHKQI-UHFFFAOYSA-N 1 0 302.422 2.130 50 0 DEAARO Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000113505393 684062062 /nfs/dbraw/zinc/06/20/62/684062062.db2.gz OWSQRHXBEJTNLZ-INIZCTEOSA-N 1 0 302.418 2.425 50 0 DEAARO Cc1ccc(N2CCC[N@H+](C[C@@H](O)C3CCCCC3)CC2)nn1 ZINC000248965689 685171423 /nfs/dbraw/zinc/17/14/23/685171423.db2.gz QQOWGEWFHACLDH-QGZVFWFLSA-N 1 0 318.465 2.238 50 0 DEAARO CC(=O)c1cccc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)c1 ZINC000253961026 685196946 /nfs/dbraw/zinc/19/69/46/685196946.db2.gz JHBCYAABJGJFIK-GOSISDBHSA-N 1 0 304.434 2.166 50 0 DEAARO OCc1cn(CCC[NH2+]C(C2CCCC2)C2CCCC2)nn1 ZINC000863983292 686602270 /nfs/dbraw/zinc/60/22/70/686602270.db2.gz FERPKHBSIULOHJ-UHFFFAOYSA-N 1 0 306.454 2.499 50 0 DEAARO CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000887268459 692318041 /nfs/dbraw/zinc/31/80/41/692318041.db2.gz MMEKUOQXRYSEFZ-VQFNDLOPSA-N 1 0 324.428 2.072 50 0 DEAARO CC(=O)N1CCC([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CO)CC1 ZINC000675020715 778336200 /nfs/dbraw/zinc/33/62/00/778336200.db2.gz HSSLRRMQXLFRKZ-RDJZCZTQSA-N 1 0 322.474 2.047 50 0 DEAARO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC(Oc3ccccc3)C2)C1 ZINC000827897853 783705005 /nfs/dbraw/zinc/70/50/05/783705005.db2.gz MMJRESFHMOHESS-CQSZACIVSA-N 1 0 317.433 2.332 50 0 DEAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC(=O)OC12CCCC2 ZINC000828244528 783773093 /nfs/dbraw/zinc/77/30/93/783773093.db2.gz KBINXQCPXAWCJY-HNNXBMFYSA-N 1 0 322.449 2.197 50 0 DEAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC000828317481 783792598 /nfs/dbraw/zinc/79/25/98/783792598.db2.gz AIYMFBXUDQNNDJ-SJORKVTESA-N 1 0 302.418 2.194 50 0 DEAARO O=S(=O)(NC1(C[NH+]2CCCC2)CCCCC1)c1cccnc1 ZINC000828392557 783798260 /nfs/dbraw/zinc/79/82/60/783798260.db2.gz PTFJTUDHFUSZGB-UHFFFAOYSA-N 1 0 323.462 2.159 50 0 DEAARO Cc1nc(CN2CCCN(C(=O)Oc3ccccc3)CC2)c[nH]1 ZINC000584908322 789633753 /nfs/dbraw/zinc/63/37/53/789633753.db2.gz NIHBRIRMXKLZEE-UHFFFAOYSA-N 1 0 314.389 2.425 50 0 DEAARO C[NH+](C)C(C)(C)CNC(=O)CCC(=O)Nc1cccc(F)c1 ZINC000952870384 792786161 /nfs/dbraw/zinc/78/61/61/792786161.db2.gz YSVFZFFINNTMBI-UHFFFAOYSA-N 1 0 309.385 2.001 50 0 DEAARO O[C@H](c1nc(-c2cccc(CN3CCOCC3)c2)no1)C1CC1 ZINC000952881379 792795758 /nfs/dbraw/zinc/79/57/58/792795758.db2.gz GTTWPBTZVWIRTD-HNNXBMFYSA-N 1 0 315.373 2.012 50 0 DEAARO Cc1nn(C)cc1C(=O)NC[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000952984377 792863840 /nfs/dbraw/zinc/86/38/40/792863840.db2.gz UIEPPQGBRSFLTE-HNNXBMFYSA-N 1 0 324.444 2.310 50 0 DEAARO Cn1ccnc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000952988821 792869236 /nfs/dbraw/zinc/86/92/36/792869236.db2.gz QAMKYTBFOYJOGY-MRXNPFEDSA-N 1 0 312.417 2.377 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2O)on1 ZINC001529160046 1070891637 /nfs/dbraw/zinc/89/16/37/1070891637.db2.gz WVGHHVTVKHSEAP-CRAIPNDOSA-N 1 0 311.385 2.500 50 0 DEAARO CN(C(=O)c1cc(O)ccc1N)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529187234 1070908236 /nfs/dbraw/zinc/90/82/36/1070908236.db2.gz PZXPIAYJYGBZGH-KPWCQOOUSA-N 1 0 317.433 2.165 50 0 DEAARO c1ncn(-c2ncccc2C[NH2+][C@H]2CCN(c3ccccc3)C2)n1 ZINC001506416704 1061959438 /nfs/dbraw/zinc/95/94/38/1061959438.db2.gz YBLSGEIGGSGARI-INIZCTEOSA-N 1 0 320.400 2.031 50 0 DEAARO Cn1ccnc1CC[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC001506427602 1061972269 /nfs/dbraw/zinc/97/22/69/1061972269.db2.gz RCXOFIRGXYFDAD-GOSISDBHSA-N 1 0 313.445 2.278 50 0 DEAARO C[C@H](CCn1cccn1)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000821182196 1090578024 /nfs/dbraw/zinc/57/80/24/1090578024.db2.gz ZVYANVIXMHMEOH-GFCCVEGCSA-N 1 0 314.418 2.365 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 ZINC000095505742 185375257 /nfs/dbraw/zinc/37/52/57/185375257.db2.gz ROUZCRIHWHAQJD-UHFFFAOYSA-N 1 0 318.417 2.154 50 0 DEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1 ZINC000095508604 185375802 /nfs/dbraw/zinc/37/58/02/185375802.db2.gz DFNJMFDJEWFOOP-CQSZACIVSA-N 1 0 317.412 2.363 50 0 DEAARO O=C1OC2(CN1Cc1c(F)ccc(F)c1F)CC[NH2+]CC2 ZINC000095508829 185375982 /nfs/dbraw/zinc/37/59/82/185375982.db2.gz IGSHNWFKQQWJEE-UHFFFAOYSA-N 1 0 300.280 2.178 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCC13CCCC3)CC2 ZINC000328801815 231352165 /nfs/dbraw/zinc/35/21/65/231352165.db2.gz AMABJROEHIIKTB-KBPBESRZSA-N 1 0 304.438 2.442 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CC[NH2+]1 ZINC000088058956 185238428 /nfs/dbraw/zinc/23/84/28/185238428.db2.gz KQVWSNQAJAXWFB-MRVPVSSYSA-N 1 0 301.159 2.022 50 0 DEAARO CC[N@@H+]1CCCN(c2ncccc2C(=O)N2CCCCC2)CC1 ZINC000089977268 185273111 /nfs/dbraw/zinc/27/31/11/185273111.db2.gz WBTDAZUNXRNXKG-UHFFFAOYSA-N 1 0 316.449 2.240 50 0 DEAARO CCCN(CC[NH+](C)C)C(=O)c1occc1Br ZINC000089958900 185271774 /nfs/dbraw/zinc/27/17/74/185271774.db2.gz FCHROLJVIBSTNN-UHFFFAOYSA-N 1 0 303.200 2.456 50 0 DEAARO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(F)ccc1Br ZINC000090171815 185284754 /nfs/dbraw/zinc/28/47/54/185284754.db2.gz OJTJLXQXTPHTNX-VIFPVBQESA-N 1 0 313.174 2.358 50 0 DEAARO CC1(C)C[C@H]([NH2+]CCCNC(=O)c2cccc(O)c2)C(C)(C)O1 ZINC000095421574 185360926 /nfs/dbraw/zinc/36/09/26/185360926.db2.gz KMJNQBFNYLYTHM-HNNXBMFYSA-N 1 0 320.433 2.448 50 0 DEAARO CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1CO ZINC000095447806 185368150 /nfs/dbraw/zinc/36/81/50/185368150.db2.gz SDMCGHQMKCQPAT-UHFFFAOYSA-N 1 0 306.406 2.248 50 0 DEAARO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc[nH]n3)c2)CC1 ZINC000097032407 185399411 /nfs/dbraw/zinc/39/94/11/185399411.db2.gz MGRQQTWRWZTTMK-UHFFFAOYSA-N 1 0 313.405 2.192 50 0 DEAARO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000097033021 185399638 /nfs/dbraw/zinc/39/96/38/185399638.db2.gz DURXTQHOSBZJCE-RYUDHWBXSA-N 1 0 318.446 2.407 50 0 DEAARO COCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3cc2CO)C1 ZINC000083902859 539391556 /nfs/dbraw/zinc/39/15/56/539391556.db2.gz IEOJOKYIRNQOQG-INIZCTEOSA-N 1 0 315.417 2.250 50 0 DEAARO C[S@](=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000083990360 539391249 /nfs/dbraw/zinc/39/12/49/539391249.db2.gz WFSDGYMYLSYCCG-JLCFBVMHSA-N 1 0 321.446 2.126 50 0 DEAARO CCc1ncc(C[NH2+]CCn2ncc3ccccc3c2=O)s1 ZINC000084041787 539392290 /nfs/dbraw/zinc/39/22/90/539392290.db2.gz CGOBKOPWYANBMF-UHFFFAOYSA-N 1 0 314.414 2.205 50 0 DEAARO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000170676821 197805040 /nfs/dbraw/zinc/80/50/40/197805040.db2.gz SHTCADGFFTVWCZ-GFCCVEGCSA-N 1 0 314.341 2.441 50 0 DEAARO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)on2)cn1 ZINC000184985522 539670399 /nfs/dbraw/zinc/67/03/99/539670399.db2.gz KGWPRCBFXOWKKA-GFCCVEGCSA-N 1 0 312.377 2.178 50 0 DEAARO O=C(CCc1cc(Cl)no1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071735874 191018591 /nfs/dbraw/zinc/01/85/91/191018591.db2.gz GVOUBSMKRPWUIP-UHFFFAOYSA-N 1 0 311.813 2.253 50 0 DEAARO O[C@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1[NH+]1CCCCC1 ZINC000071747505 191021104 /nfs/dbraw/zinc/02/11/04/191021104.db2.gz CFFODZNJLJFMNR-IRXDYDNUSA-N 1 0 316.449 2.170 50 0 DEAARO CC(C)C[C@@H]([NH3+])C(=O)NCc1noc(-c2c(F)cccc2F)n1 ZINC000071752588 191023675 /nfs/dbraw/zinc/02/36/75/191023675.db2.gz JDGHDDXWHGQTEF-LLVKDONJSA-N 1 0 324.331 2.004 50 0 DEAARO Cc1cccc2nc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)cn21 ZINC000071754153 191024638 /nfs/dbraw/zinc/02/46/38/191024638.db2.gz GRLJROBNKXDSBK-UHFFFAOYSA-N 1 0 312.417 2.249 50 0 DEAARO Cc1ccnn1CC[N@@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071767977 191029149 /nfs/dbraw/zinc/02/91/49/191029149.db2.gz SKLMEQQYNOWHQQ-KRWDZBQOSA-N 1 0 318.465 2.160 50 0 DEAARO Cc1cccc(C)c1OCCCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000071903152 191032264 /nfs/dbraw/zinc/03/22/64/191032264.db2.gz DXZDIQIZROOARE-OAHLLOKOSA-N 1 0 311.447 2.191 50 0 DEAARO CCn1cc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cn1 ZINC000072148018 191055107 /nfs/dbraw/zinc/05/51/07/191055107.db2.gz UAXXUIVPUSQFGE-QGZVFWFLSA-N 1 0 300.406 2.479 50 0 DEAARO CCCc1nc2c(cnn2C)c(N(C)C[C@H]2CCCC[N@@H+]2C)n1 ZINC000072165595 191065234 /nfs/dbraw/zinc/06/52/34/191065234.db2.gz IRKHAPLJVQSNDR-CYBMUJFWSA-N 1 0 316.453 2.236 50 0 DEAARO COc1nccnc1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072165525 191065682 /nfs/dbraw/zinc/06/56/82/191065682.db2.gz PMMQUCFLUINOKU-UHFFFAOYSA-N 1 0 312.377 2.002 50 0 DEAARO Cn1cc(CN2CCC[N@H+](Cc3ccccc3F)CC2)cn1 ZINC000072169160 191068611 /nfs/dbraw/zinc/06/86/11/191068611.db2.gz CESNOIXKNDSPSK-UHFFFAOYSA-N 1 0 302.397 2.267 50 0 DEAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)C(N)=O ZINC000072190123 191073921 /nfs/dbraw/zinc/07/39/21/191073921.db2.gz BHJIBOFHEFDSAU-LBPRGKRZSA-N 1 0 302.349 2.368 50 0 investigational DEAARO Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)n2)cc1C ZINC000150693093 186057502 /nfs/dbraw/zinc/05/75/02/186057502.db2.gz FKDOJFDUTGLVRE-CHWSQXEVSA-N 1 0 317.414 2.088 50 0 DEAARO COc1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1O ZINC000252487329 539784567 /nfs/dbraw/zinc/78/45/67/539784567.db2.gz VMWDMCDAGNXBBI-IAOVAPTHSA-N 1 0 303.402 2.491 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](CO)C2)cc1)C(C)C ZINC000179672348 186203341 /nfs/dbraw/zinc/20/33/41/186203341.db2.gz GYTYUJHNXXGWDU-MRXNPFEDSA-N 1 0 304.434 2.371 50 0 DEAARO C[C@@H](C(=O)N1CCC[C@H](c2cc[nH]n2)C1)[NH+]1CCCCCC1 ZINC000072300273 191114379 /nfs/dbraw/zinc/11/43/79/191114379.db2.gz QCZCSETZUUFKJX-GJZGRUSLSA-N 1 0 304.438 2.380 50 0 DEAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ncnn1C ZINC000189957710 186255229 /nfs/dbraw/zinc/25/52/29/186255229.db2.gz LZCWFFRJIOTZRU-HUUCEWRRSA-N 1 0 313.449 2.061 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc2c1OCO2 ZINC000253370978 186301668 /nfs/dbraw/zinc/30/16/68/186301668.db2.gz YYRAEECVURAJTD-AWEZNQCLSA-N 1 0 304.390 2.094 50 0 DEAARO Cc1cccc(C)c1OCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902467 198005246 /nfs/dbraw/zinc/00/52/46/198005246.db2.gz AROOCJKOOLSLPE-MRXNPFEDSA-N 1 0 317.433 2.172 50 0 DEAARO C[C@@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)C[NH+](C)C ZINC000072431297 191163191 /nfs/dbraw/zinc/16/31/91/191163191.db2.gz YBJGDRCVWSZZEF-AWEZNQCLSA-N 1 0 306.450 2.318 50 0 DEAARO C1=CCC(Nc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 ZINC000072428588 191160768 /nfs/dbraw/zinc/16/07/68/191160768.db2.gz DHRXUNCWOHAPBE-UHFFFAOYSA-N 1 0 307.401 2.357 50 0 DEAARO Cc1cc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)on1 ZINC000072447992 191169917 /nfs/dbraw/zinc/16/99/17/191169917.db2.gz PJKOGFCHBQMSGY-UHFFFAOYSA-N 1 0 313.405 2.408 50 0 DEAARO c1cc2nc(-c3ccccc3)cc(N3C[C@H]4C[NH2+]C[C@H]4C3)n2n1 ZINC000072462674 191173237 /nfs/dbraw/zinc/17/32/37/191173237.db2.gz ZBCXYHNYJJPTFM-GASCZTMLSA-N 1 0 305.385 2.052 50 0 DEAARO O=C(NCc1cc(Cl)ccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000072512991 191185127 /nfs/dbraw/zinc/18/51/27/191185127.db2.gz BUMRRMIAOMRKPZ-SNVBAGLBSA-N 1 0 304.724 2.310 50 0 DEAARO C[N@H+](CCOc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000003311806 181003539 /nfs/dbraw/zinc/00/35/39/181003539.db2.gz XMHPOBVTXUTADF-MRXNPFEDSA-N 1 0 301.386 2.437 50 0 DEAARO Cc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c(Cl)c1 ZINC000003425808 181017988 /nfs/dbraw/zinc/01/79/88/181017988.db2.gz CQSWPQLOHSQQNA-UHFFFAOYSA-N 1 0 323.809 2.334 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649488 354629781 /nfs/dbraw/zinc/62/97/81/354629781.db2.gz XODXFBKZUZSOQW-UONOGXRCSA-N 1 0 313.401 2.069 50 0 DEAARO COc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(OC)c1 ZINC000066157787 354702436 /nfs/dbraw/zinc/70/24/36/354702436.db2.gz BLORXTIORMARRW-CQSZACIVSA-N 1 0 319.405 2.406 50 0 DEAARO CCn1ccnc1C[NH2+]C[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000076042707 355120507 /nfs/dbraw/zinc/12/05/07/355120507.db2.gz WKDRVJLHUUYXHJ-PBHICJAKSA-N 1 0 317.437 2.121 50 0 DEAARO CCn1ccnc1C[NH2+]C[C@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000076042712 355120705 /nfs/dbraw/zinc/12/07/05/355120705.db2.gz WKDRVJLHUUYXHJ-RHSMWYFYSA-N 1 0 317.437 2.121 50 0 DEAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000076047078 355121556 /nfs/dbraw/zinc/12/15/56/355121556.db2.gz QRQDFLSUUYULMB-WCQYABFASA-N 1 0 317.393 2.194 50 0 DEAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)Nc1cc(C)no1 ZINC000076047084 355121663 /nfs/dbraw/zinc/12/16/63/355121663.db2.gz QRQDFLSUUYULMB-YPMHNXCESA-N 1 0 317.393 2.194 50 0 DEAARO Cc1cc(C)c(C(=O)Nc2c[nH+]ccc2N2CCOCC2)o1 ZINC000097102560 355701975 /nfs/dbraw/zinc/70/19/75/355701975.db2.gz WIEXPRBSIGMOLH-UHFFFAOYSA-N 1 0 301.346 2.380 50 0 DEAARO O=C1CCCN1C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000097230631 355703267 /nfs/dbraw/zinc/70/32/67/355703267.db2.gz NDNDPYLPTZCMGM-DOTOQJQBSA-N 1 0 302.418 2.366 50 0 DEAARO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000093297908 355674864 /nfs/dbraw/zinc/67/48/64/355674864.db2.gz AVWATIYMJLEOGU-CABCVRRESA-N 1 0 318.417 2.124 50 0 DEAARO CC(C)COCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110618233 355743741 /nfs/dbraw/zinc/74/37/41/355743741.db2.gz OKRZQJMDPILEAQ-YESZJQIVSA-N 1 0 323.481 2.175 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000133544299 355856295 /nfs/dbraw/zinc/85/62/95/355856295.db2.gz KHQVPZALYOBTBK-ZUEPYMLJSA-N 1 0 310.825 2.410 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)c2cccs2)CC1 ZINC000169751750 355981197 /nfs/dbraw/zinc/98/11/97/355981197.db2.gz QVCCUYIGJRUYCQ-CYBMUJFWSA-N 1 0 308.447 2.321 50 0 DEAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2[nH]ccc2C(N)=O)C1 ZINC000169789283 355983710 /nfs/dbraw/zinc/98/37/10/355983710.db2.gz NOTFCFITQPZPFM-LLVKDONJSA-N 1 0 304.419 2.258 50 0 DEAARO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)C(C)C)CC2 ZINC000169786873 355983954 /nfs/dbraw/zinc/98/39/54/355983954.db2.gz RLQMVPZSWAFBGY-HNNXBMFYSA-N 1 0 308.466 2.382 50 0 DEAARO Cn1cc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000170625043 355990123 /nfs/dbraw/zinc/99/01/23/355990123.db2.gz DYLLLMUHQLYKCM-UHFFFAOYSA-N 1 0 310.445 2.095 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)Nc1ncn(C2CCCCC2)n1 ZINC000184605191 356194108 /nfs/dbraw/zinc/19/41/08/356194108.db2.gz YYMBCPHOXZEYNC-UHFFFAOYSA-N 1 0 320.441 2.391 50 0 DEAARO CC(C)(C)[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(N)=O ZINC000195573571 356258906 /nfs/dbraw/zinc/25/89/06/356258906.db2.gz FJQUNOGDWIRFFP-CQSZACIVSA-N 1 0 304.369 2.001 50 0 DEAARO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000225487194 356276852 /nfs/dbraw/zinc/27/68/52/356276852.db2.gz XWZNOPXFFIFMKR-OAGGEKHMSA-N 1 0 309.454 2.070 50 0 DEAARO CCN(C[C@H]1CN([C@@H]2C=CCCC2)CCO1)c1cccnn1 ZINC000229913968 356282803 /nfs/dbraw/zinc/28/28/03/356282803.db2.gz FFXRKBDJICVFBR-CVEARBPZSA-N 1 0 302.422 2.112 50 0 DEAARO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccno3)C2)nc1 ZINC000080926650 192203297 /nfs/dbraw/zinc/20/32/97/192203297.db2.gz XRZYADYVAOHAFJ-ZDUSSCGKSA-N 1 0 300.362 2.229 50 0 DEAARO CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252477793 356334079 /nfs/dbraw/zinc/33/40/79/356334079.db2.gz VPEVIOBGWRHLJO-NXOAAHMSSA-N 1 0 323.481 2.173 50 0 DEAARO CCOc1ccc(C[NH2+]CC2(O)CCOCC2)cc1OCC ZINC000236939168 202081879 /nfs/dbraw/zinc/08/18/79/202081879.db2.gz VSXZWFXKWGXPFJ-UHFFFAOYSA-N 1 0 309.406 2.115 50 0 DEAARO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000236998222 202114605 /nfs/dbraw/zinc/11/46/05/202114605.db2.gz DXQRFNKQPJTZHB-CJNGLKHVSA-N 1 0 312.417 2.329 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000237067841 202141916 /nfs/dbraw/zinc/14/19/16/202141916.db2.gz NAUYBWKUFVMDBA-GFCCVEGCSA-N 1 0 316.380 2.287 50 0 DEAARO C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000237102378 202153407 /nfs/dbraw/zinc/15/34/07/202153407.db2.gz BKJFFNZZXUBQDJ-UHFFFAOYSA-N 1 0 302.827 2.021 50 0 DEAARO CC[C@@](C)(O)Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000585091527 540256421 /nfs/dbraw/zinc/25/64/21/540256421.db2.gz SWORWGMSPIIYCP-ZWKOTPCHSA-N 1 0 314.433 2.429 50 0 DEAARO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000397955523 356719359 /nfs/dbraw/zinc/71/93/59/356719359.db2.gz DZGCBCUWZASMPD-SFYZADRCSA-N 1 0 303.225 2.366 50 0 DEAARO c1ccn2c(c1)nnc2CCC[NH2+]C1CSCCSC1 ZINC000584892422 357328046 /nfs/dbraw/zinc/32/80/46/357328046.db2.gz MFNGTXQGLGMYQP-UHFFFAOYSA-N 1 0 308.476 2.100 50 0 DEAARO CCC[N@@H+]1CC[C@@H](Cn2cnc3ccc(OC)cc3c2=O)C1 ZINC000584903084 357331322 /nfs/dbraw/zinc/33/13/22/357331322.db2.gz VGRCTLBMCOCPPA-CYBMUJFWSA-N 1 0 301.390 2.137 50 0 DEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)n1cnc2cccnc2c1=O ZINC000584902969 357331862 /nfs/dbraw/zinc/33/18/62/357331862.db2.gz MEIGWNPVGMSLPM-CQSZACIVSA-N 1 0 320.396 2.411 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 ZINC000179026272 198970807 /nfs/dbraw/zinc/97/08/07/198970807.db2.gz XHDQZWNSGYDBAU-CYBMUJFWSA-N 1 0 303.431 2.279 50 0 DEAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)nn1 ZINC000276666465 213033691 /nfs/dbraw/zinc/03/36/91/213033691.db2.gz XRCAXSHRLRRUFV-JKSUJKDBSA-N 1 0 315.421 2.438 50 0 DEAARO COc1ccc(/C=C/C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1F ZINC000237305159 202224815 /nfs/dbraw/zinc/22/48/15/202224815.db2.gz ZXQJLEYEUYTPQW-XIACAKRESA-N 1 0 306.381 2.433 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)C1 ZINC000237308421 202226437 /nfs/dbraw/zinc/22/64/37/202226437.db2.gz IXMZADAIAOIXOQ-LOWQCSRCSA-N 1 0 318.417 2.175 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000237368870 202246743 /nfs/dbraw/zinc/24/67/43/202246743.db2.gz MRJGRUYYQNRDKO-DQYPLSBCSA-N 1 0 318.417 2.147 50 0 DEAARO Cc1cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)n(C)n1 ZINC000089591754 192823106 /nfs/dbraw/zinc/82/31/06/192823106.db2.gz YDMWETPJOLXGQL-UHFFFAOYSA-N 1 0 316.405 2.311 50 0 DEAARO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000187018461 200047948 /nfs/dbraw/zinc/04/79/48/200047948.db2.gz LDZLQJADWYLQMH-HNNXBMFYSA-N 1 0 301.434 2.452 50 0 DEAARO Cc1nnc(SCCCN2CC[NH+](C(C)C)CC2)s1 ZINC000188242122 200214941 /nfs/dbraw/zinc/21/49/41/200214941.db2.gz LIFOVYHZMHNSCD-UHFFFAOYSA-N 1 0 300.497 2.355 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN1CCC([NH+](C)C)CC1 ZINC000670438257 540933465 /nfs/dbraw/zinc/93/34/65/540933465.db2.gz HMFCBMJUDAVWAR-UHFFFAOYSA-N 1 0 302.344 2.330 50 0 DEAARO COc1cccc(C[N@H+](C)Cc2c(CO)cnc(C)c2O)c1 ZINC000670460683 540937172 /nfs/dbraw/zinc/93/71/72/540937172.db2.gz DLGCJNFUNJABOY-UHFFFAOYSA-N 1 0 302.374 2.229 50 0 DEAARO CCCOc1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1Cl ZINC000670462978 540937769 /nfs/dbraw/zinc/93/77/69/540937769.db2.gz AKPUDACEVUYMFV-KBPBESRZSA-N 1 0 313.825 2.161 50 0 DEAARO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000195530346 201398790 /nfs/dbraw/zinc/39/87/90/201398790.db2.gz XUEGWRGFOKLEME-HOCLYGCPSA-N 1 0 320.437 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CN(CC[C@@H](O)c1ccccc1)c1nc(N)[nH+]c2c1CCCC2 ZINC000091908196 193124963 /nfs/dbraw/zinc/12/49/63/193124963.db2.gz AUYIRCKGCPNMQE-MRXNPFEDSA-N 1 0 312.417 2.498 50 0 DEAARO O=C(CO[C@@H](c1ccccc1)C(F)(F)F)NC1CC[NH2+]CC1 ZINC000219207460 201551379 /nfs/dbraw/zinc/55/13/79/201551379.db2.gz USCIJHSGCCTKMC-AWEZNQCLSA-N 1 0 316.323 2.175 50 0 DEAARO CSc1nccc(N2CCC([NH2+][C@H]3CCSC3)CC2)n1 ZINC000095353165 193426834 /nfs/dbraw/zinc/42/68/34/193426834.db2.gz AGAJAVZEXIQION-LBPRGKRZSA-N 1 0 310.492 2.262 50 0 DEAARO C[N@H+](C[C@@H]1CCOc2ccccc2C1)CC1(CO)CCOCC1 ZINC000095504058 193445382 /nfs/dbraw/zinc/44/53/82/193445382.db2.gz RFOBDCUJAMKNCO-MRXNPFEDSA-N 1 0 319.445 2.349 50 0 DEAARO Cn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccccn1 ZINC000095975948 193470295 /nfs/dbraw/zinc/47/02/95/193470295.db2.gz KDAJXRCQXIUREY-LBPRGKRZSA-N 1 0 303.435 2.454 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000095986824 193478680 /nfs/dbraw/zinc/47/86/80/193478680.db2.gz SVXDCHBEYKKYJO-MRXNPFEDSA-N 1 0 305.418 2.210 50 0 DEAARO C[C@H](C[NH+]1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000012383485 181755399 /nfs/dbraw/zinc/75/53/99/181755399.db2.gz YIGWOBUWZYNPIA-MRXNPFEDSA-N 1 0 316.445 2.361 50 0 DEAARO CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000017031193 182069338 /nfs/dbraw/zinc/06/93/38/182069338.db2.gz OZVPMWXQLWMBCD-UHFFFAOYSA-N 1 0 305.378 2.064 50 0 DEAARO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000019499922 182125575 /nfs/dbraw/zinc/12/55/75/182125575.db2.gz WECFHTGPDLKETN-CYBMUJFWSA-N 1 0 308.422 2.326 50 0 DEAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000020386140 182213614 /nfs/dbraw/zinc/21/36/14/182213614.db2.gz SOCMLQSMPFUXCL-UKRRQHHQSA-N 1 0 316.401 2.043 50 0 DEAARO Cc1c(C[NH+]2CCSCC2)c(=O)n(-c2ccccc2)n1C ZINC000020432584 182217253 /nfs/dbraw/zinc/21/72/53/182217253.db2.gz QZFZXGCUOYQPFG-UHFFFAOYSA-N 1 0 303.431 2.033 50 0 DEAARO COc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c(F)c1 ZINC000020538827 182228815 /nfs/dbraw/zinc/22/88/15/182228815.db2.gz ARZQHXHRFGREHX-HNNXBMFYSA-N 1 0 310.413 2.111 50 0 DEAARO Fc1cccc(C[C@H]2C[N@H+](CCCn3cccn3)CCO2)c1 ZINC000020540734 182228872 /nfs/dbraw/zinc/22/88/72/182228872.db2.gz FTSSKMMHVCTYDI-KRWDZBQOSA-N 1 0 303.381 2.356 50 0 DEAARO OCc1cn(C[C@H]2CCC[N@H+](CCCC3CCCC3)C2)nn1 ZINC000020862563 182249934 /nfs/dbraw/zinc/24/99/34/182249934.db2.gz RXQZFARYWZYPDF-INIZCTEOSA-N 1 0 306.454 2.453 50 0 DEAARO Cc1nc(C)c(CN2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)s1 ZINC000020997845 182258196 /nfs/dbraw/zinc/25/81/96/182258196.db2.gz BXYNHSMUIXHUSE-OAHLLOKOSA-N 1 0 323.506 2.429 50 0 DEAARO CN(C)[C@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000022037724 182305807 /nfs/dbraw/zinc/30/58/07/182305807.db2.gz BBZVGRICMCUYEN-LJQANCHMSA-N 1 0 323.440 2.468 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 ZINC000023014099 182345159 /nfs/dbraw/zinc/34/51/59/182345159.db2.gz KRIXAZCEYWCSFL-UHFFFAOYSA-N 1 0 310.825 2.428 50 0 DEAARO COCc1ccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)o1 ZINC000023359473 182358692 /nfs/dbraw/zinc/35/86/92/182358692.db2.gz FJHRLMHMOUGONO-MRXNPFEDSA-N 1 0 322.449 2.095 50 0 DEAARO Cc1c2ccccc2nc(SCC(=O)N[C@H](C)C(C)C)[n+]1C ZINC000032739648 182657852 /nfs/dbraw/zinc/65/78/52/182657852.db2.gz SSGHECMFAVBOHW-GFCCVEGCSA-N 1 0 317.458 2.494 50 0 DEAARO O=C(NC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1)C1CC1 ZINC000040120377 183037884 /nfs/dbraw/zinc/03/78/84/183037884.db2.gz QAPJFPNKPRMLAG-INIZCTEOSA-N 1 0 322.836 2.364 50 0 DEAARO CC(C)c1c(C(=O)NCC[NH+](C)C)cnn1-c1cccc(F)c1 ZINC000040389427 183059952 /nfs/dbraw/zinc/05/99/52/183059952.db2.gz GFXAEWNPOPSZHF-UHFFFAOYSA-N 1 0 318.396 2.426 50 0 DEAARO Cc1ccc(C)c(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000040525191 183092153 /nfs/dbraw/zinc/09/21/53/183092153.db2.gz WJLPFCWAUQFAIM-OAHLLOKOSA-N 1 0 305.422 2.272 50 0 DEAARO O=C(NCCC[NH+]1CCC(O)CC1)Nc1ccc(Cl)cc1 ZINC000040555345 183101946 /nfs/dbraw/zinc/10/19/46/183101946.db2.gz AFTXMDAMOSFBHF-UHFFFAOYSA-N 1 0 311.813 2.308 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000040597765 183107145 /nfs/dbraw/zinc/10/71/45/183107145.db2.gz HFYPUIHUCPNNMV-GFCCVEGCSA-N 1 0 316.854 2.269 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000040597768 183107532 /nfs/dbraw/zinc/10/75/32/183107532.db2.gz HFYPUIHUCPNNMV-LBPRGKRZSA-N 1 0 316.854 2.269 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 ZINC000040597635 183107542 /nfs/dbraw/zinc/10/75/42/183107542.db2.gz PVJLGWQJMAJHOS-GFCCVEGCSA-N 1 0 316.854 2.269 50 0 DEAARO COc1cc(/C=C\C(=O)N2CC[NH2+][C@H](C)C2)cc(Cl)c1OC ZINC000493108386 249223349 /nfs/dbraw/zinc/22/33/49/249223349.db2.gz RZTWUNXLLVBSPQ-DOGVGXBMSA-N 1 0 324.808 2.191 50 0 DEAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(C)(C)C)CC1 ZINC000041578039 183206060 /nfs/dbraw/zinc/20/60/60/183206060.db2.gz SSVYTXQTICHKOQ-UHFFFAOYSA-N 1 0 317.477 2.486 50 0 DEAARO COc1ccc(C[NH2+]CCn2cccn2)cc1Br ZINC000042351843 183257661 /nfs/dbraw/zinc/25/76/61/183257661.db2.gz CIPQEFGGIAEUPG-UHFFFAOYSA-N 1 0 310.195 2.444 50 0 DEAARO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)n(C)n1 ZINC000043435168 183363568 /nfs/dbraw/zinc/36/35/68/183363568.db2.gz NOVFSFAJUVXRFA-LLVKDONJSA-N 1 0 307.423 2.214 50 0 DEAARO CC[NH+](CC)CCCNC(=O)c1cc2c(C)nn(C)c2nc1C ZINC000044910914 183455232 /nfs/dbraw/zinc/45/52/32/183455232.db2.gz UEDBGWHVYUZYJK-UHFFFAOYSA-N 1 0 317.437 2.047 50 0 DEAARO Cc1ccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1C ZINC000284549276 218073476 /nfs/dbraw/zinc/07/34/76/218073476.db2.gz MINAWQPNWXJNBE-ZWKOTPCHSA-N 1 0 316.445 2.406 50 0 DEAARO COc1cccc(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000106078853 194184612 /nfs/dbraw/zinc/18/46/12/194184612.db2.gz OSENMDXPILMFOP-LSDHHAIUSA-N 1 0 304.434 2.474 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1 ZINC000106517089 194222286 /nfs/dbraw/zinc/22/22/86/194222286.db2.gz SMTVLYDKWJXNJW-ZWKOTPCHSA-N 1 0 310.397 2.433 50 0 DEAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000048264369 183635033 /nfs/dbraw/zinc/63/50/33/183635033.db2.gz PJQZPFZHNSLFOP-CQSZACIVSA-N 1 0 304.394 2.182 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)N[C@H]1c2ccccc2C[C@H]1O ZINC000055414074 183986191 /nfs/dbraw/zinc/98/61/91/183986191.db2.gz NUCIJNKGMSBMDG-MJGOQNOKSA-N 1 0 316.445 2.417 50 0 DEAARO C[C@@H](Cc1ccc(O)cc1)NC(=O)NCC[NH+]1CCCCC1 ZINC000056769107 184019146 /nfs/dbraw/zinc/01/91/46/184019146.db2.gz CXZUOIIDAUZFTG-AWEZNQCLSA-N 1 0 305.422 2.108 50 0 DEAARO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccn2C)no1 ZINC000058068068 184073071 /nfs/dbraw/zinc/07/30/71/184073071.db2.gz NQUCHSFJFOKDBE-CQSZACIVSA-N 1 0 302.378 2.487 50 0 DEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccnc1 ZINC000058156302 184081298 /nfs/dbraw/zinc/08/12/98/184081298.db2.gz ZIPKQEOKICMOOM-UHFFFAOYSA-N 1 0 314.389 2.383 50 0 DEAARO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058277942 184098340 /nfs/dbraw/zinc/09/83/40/184098340.db2.gz FZXJHZVYERREGZ-ZBFHGGJFSA-N 1 0 318.417 2.255 50 0 DEAARO CO[C@H](C[NH2+]C[C@H]1CNc2cc(C)nn2C1)c1ccccc1 ZINC000058294372 184101687 /nfs/dbraw/zinc/10/16/87/184101687.db2.gz SHHSCVDUDCPEIY-GOEBONIOSA-N 1 0 300.406 2.211 50 0 DEAARO Cc1ccc([C@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N(C)C)cc1 ZINC000058304916 184102869 /nfs/dbraw/zinc/10/28/69/184102869.db2.gz REPRLXGMSDSSGS-WBVHZDCISA-N 1 0 313.449 2.126 50 0 DEAARO COc1cc([C@@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)ccc1O ZINC000062001507 184200583 /nfs/dbraw/zinc/20/05/83/184200583.db2.gz AIOSPJIQOLXBIF-WMZOPIPTSA-N 1 0 310.353 2.325 50 0 biogenic DEAARO [NH3+]Cc1nnn(-c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 ZINC000062238654 184224719 /nfs/dbraw/zinc/22/47/19/184224719.db2.gz CSGNLUHOXMNPQP-UHFFFAOYSA-N 1 0 312.304 2.261 50 0 DEAARO Cc1ccc(-c2cc(C(=O)NCC[N@@H+](C)C3CC3)[nH]n2)s1 ZINC000063116838 184271906 /nfs/dbraw/zinc/27/19/06/184271906.db2.gz VMBSCOPRORDWOR-UHFFFAOYSA-N 1 0 304.419 2.271 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1 ZINC000063159789 184275186 /nfs/dbraw/zinc/27/51/86/184275186.db2.gz XYYMCOXANWWNMS-UHFFFAOYSA-N 1 0 316.854 2.269 50 0 DEAARO C[C@H](Cn1cncn1)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000065387936 184333722 /nfs/dbraw/zinc/33/37/22/184333722.db2.gz OBPKXLHCPDLUQS-MRXNPFEDSA-N 1 0 305.470 2.445 50 0 DEAARO Cc1nccn1CC(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000065288876 184323098 /nfs/dbraw/zinc/32/30/98/184323098.db2.gz LUVFCVVDHRACRD-KRWDZBQOSA-N 1 0 318.465 2.449 50 0 DEAARO CCCC(=O)N1CCC(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065419185 184341199 /nfs/dbraw/zinc/34/11/99/184341199.db2.gz AELLAHFGGQUXIK-UHFFFAOYSA-N 1 0 323.481 2.017 50 0 DEAARO Cc1nnc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065452606 184346766 /nfs/dbraw/zinc/34/67/66/184346766.db2.gz ULSHNNCFFJWBFM-AWEZNQCLSA-N 1 0 313.449 2.471 50 0 DEAARO COc1c(C[NH2+]C[C@@H](C)N2CCc3ccccc32)c(C)nn1C ZINC000065474728 184351141 /nfs/dbraw/zinc/35/11/41/184351141.db2.gz OSACNHPXIYSODN-CYBMUJFWSA-N 1 0 314.433 2.278 50 0 DEAARO COc1cc(C[NH2+][C@H](C)Cn2nc(C)cc2C)cc2c1OCO2 ZINC000065488881 184353235 /nfs/dbraw/zinc/35/32/35/184353235.db2.gz OQHRJUFPYRULSD-GFCCVEGCSA-N 1 0 317.389 2.416 50 0 DEAARO [NH3+]CCc1nc2ccccc2c(NCCC[C@@H]2CCOC2)n1 ZINC000065399223 184336484 /nfs/dbraw/zinc/33/64/84/184336484.db2.gz JTLBRJWXVAMJSK-CYBMUJFWSA-N 1 0 300.406 2.360 50 0 DEAARO C[C@H](c1ccc(F)cc1)n1c(=O)[nH]nc1C1CC[NH+](C)CC1 ZINC000065405488 184337822 /nfs/dbraw/zinc/33/78/22/184337822.db2.gz LJWQBPFOXQMHSN-LLVKDONJSA-N 1 0 304.369 2.129 50 0 DEAARO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269234106 207360570 /nfs/dbraw/zinc/36/05/70/207360570.db2.gz FFGOJDWZUYFQTH-FUHWJXTLSA-N 1 0 310.397 2.035 50 0 DEAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnsn1 ZINC000119680423 195016407 /nfs/dbraw/zinc/01/64/07/195016407.db2.gz RLNZEYXEQALPEQ-LLVKDONJSA-N 1 0 322.459 2.242 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000157693269 197209279 /nfs/dbraw/zinc/20/92/79/197209279.db2.gz QUZANIJCTHORKS-SNVBAGLBSA-N 1 0 303.189 2.322 50 0 DEAARO CCOc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCSC)CC2 ZINC000156504005 197119038 /nfs/dbraw/zinc/11/90/38/197119038.db2.gz TXYAYAODNPECFC-HNNXBMFYSA-N 1 0 308.447 2.050 50 0 DEAARO Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000156407301 197110730 /nfs/dbraw/zinc/11/07/30/197110730.db2.gz GIRCKGWFASFHOP-GJZGRUSLSA-N 1 0 312.417 2.380 50 0 DEAARO C[C@H]1CN(C(=O)c2occc2COc2ccccc2)CC[NH2+]1 ZINC000155190766 197030673 /nfs/dbraw/zinc/03/06/73/197030673.db2.gz DHKKJPGFWHBKHD-ZDUSSCGKSA-N 1 0 300.358 2.293 50 0 DEAARO CC[C@@H]1CCC[C@H](C[NH2+]CC2(S(C)(=O)=O)CCOCC2)C1 ZINC000096010142 256551540 /nfs/dbraw/zinc/55/15/40/256551540.db2.gz ZHWCWZXBUNOAOA-CABCVRRESA-N 1 0 317.495 2.386 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237598316 257238761 /nfs/dbraw/zinc/23/87/61/257238761.db2.gz CHDBJEAYFOLWHM-CMPLNLGQSA-N 1 0 316.323 2.466 50 0 DEAARO Cn1ccnc1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072408429 257270949 /nfs/dbraw/zinc/27/09/49/257270949.db2.gz HKAFPSUUJVECCL-SFHVURJKSA-N 1 0 310.445 2.095 50 0 DEAARO CC(C)(C)[C@H](O)C[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000069630510 184829402 /nfs/dbraw/zinc/82/94/02/184829402.db2.gz GSJZOWZHGDFFGG-MRXNPFEDSA-N 1 0 317.433 2.352 50 0 DEAARO CCOC(=O)N1CCC([NH2+]Cc2c(C)nn(CC)c2C)CC1 ZINC000069655648 184832388 /nfs/dbraw/zinc/83/23/88/184832388.db2.gz IAOVSZMXFHWGFE-UHFFFAOYSA-N 1 0 308.426 2.230 50 0 DEAARO CCc1noc2ncc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])cc12 ZINC000121784958 195346901 /nfs/dbraw/zinc/34/69/01/195346901.db2.gz UEQJDYFNMMAMPF-QMTHXVAHSA-N 1 0 302.378 2.127 50 0 DEAARO COc1cccc(N2CC[NH+](CCn3nccc3C)CC2)c1 ZINC000299761752 533579093 /nfs/dbraw/zinc/57/90/93/533579093.db2.gz NMFIEVRXLRHYOG-UHFFFAOYSA-N 1 0 300.406 2.022 50 0 DEAARO Cc1cc(F)cc(NC(=O)NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000685943252 542769193 /nfs/dbraw/zinc/76/91/93/542769193.db2.gz IGPPTBJTWJQRJJ-UHFFFAOYSA-N 1 0 322.428 2.283 50 0 DEAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000004050824 401725305 /nfs/dbraw/zinc/72/53/05/401725305.db2.gz OMIOBAGHVFHLMN-UHFFFAOYSA-N 1 0 310.401 2.394 50 0 DEAARO CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1 ZINC000007437485 401740265 /nfs/dbraw/zinc/74/02/65/401740265.db2.gz PHGKWWZCPNJOKO-UHFFFAOYSA-N 1 0 315.373 2.128 50 0 DEAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC000007636333 401742007 /nfs/dbraw/zinc/74/20/07/401742007.db2.gz WLWUMCPGAXLLST-HNNXBMFYSA-N 1 0 323.433 2.238 50 0 DEAARO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000007684276 401742834 /nfs/dbraw/zinc/74/28/34/401742834.db2.gz KLCKUMOFHHKUHW-DZGCQCFKSA-N 1 0 318.417 2.462 50 0 DEAARO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(O)CC1 ZINC000000066354 401687737 /nfs/dbraw/zinc/68/77/37/401687737.db2.gz QOYUNOJTCPVWHJ-LLVKDONJSA-N 1 0 320.216 2.190 50 0 DEAARO CCOCC[N@@H+]1CCN(Cc2nnsc2Cl)C[C@@H]1CC ZINC000071864823 401688750 /nfs/dbraw/zinc/68/87/50/401688750.db2.gz RFTCGOZDKMKOBZ-NSHDSACASA-N 1 0 318.874 2.124 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 ZINC000071869897 401689710 /nfs/dbraw/zinc/68/97/10/401689710.db2.gz OZNXXZGFLBYEPP-CVEARBPZSA-N 1 0 304.438 2.057 50 0 DEAARO CC[N@H+](C)[C@@H](C(=O)NCCc1cscn1)c1ccccc1 ZINC000071896351 401694191 /nfs/dbraw/zinc/69/41/91/401694191.db2.gz HTRGFUQTQKXQPI-OAHLLOKOSA-N 1 0 303.431 2.495 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000071920949 401697557 /nfs/dbraw/zinc/69/75/57/401697557.db2.gz RWLZUQSTUDEGQZ-ZDUSSCGKSA-N 1 0 307.781 2.389 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111229640 401701917 /nfs/dbraw/zinc/70/19/17/401701917.db2.gz VYCUFJDLEHVTHL-GXTWGEPZSA-N 1 0 318.808 2.320 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000072253074 401704442 /nfs/dbraw/zinc/70/44/42/401704442.db2.gz YQJBHKHVMXRJDY-CQSZACIVSA-N 1 0 318.446 2.206 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)c1 ZINC000072269932 401705201 /nfs/dbraw/zinc/70/52/01/401705201.db2.gz YFTAVNPEKKCXIB-UONOGXRCSA-N 1 0 320.462 2.451 50 0 DEAARO C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000072300575 401708304 /nfs/dbraw/zinc/70/83/04/401708304.db2.gz LNPAYTCEBZSCFF-FZMZJTMJSA-N 1 0 316.854 2.100 50 0 DEAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000002582562 401715486 /nfs/dbraw/zinc/71/54/86/401715486.db2.gz YRJPBSFJJRQPHV-SNVBAGLBSA-N 1 0 302.168 2.411 50 0 DEAARO COc1ccc(OC)c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013154069 401797182 /nfs/dbraw/zinc/79/71/82/401797182.db2.gz CTQFAGNULPMKDP-BETUJISGSA-N 1 0 322.405 2.142 50 0 DEAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H](C)COC)c(OC)c1 ZINC000009363893 401761669 /nfs/dbraw/zinc/76/16/69/401761669.db2.gz VQZCIAAAAFEKKS-XPKDBEDXSA-N 1 0 309.406 2.093 50 0 DEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000009375949 401762373 /nfs/dbraw/zinc/76/23/73/401762373.db2.gz OWLUTVMUOPKPOL-HOCLYGCPSA-N 1 0 321.417 2.477 50 0 DEAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)o1 ZINC000011701419 401776116 /nfs/dbraw/zinc/77/61/16/401776116.db2.gz QNRJDRZNQQBOKZ-KRWDZBQOSA-N 1 0 308.422 2.077 50 0 DEAARO CN(C)c1ncc2c(n1)CCC[C@@H]2[NH2+]C1CSCCSC1 ZINC000011754249 401776354 /nfs/dbraw/zinc/77/63/54/401776354.db2.gz QNCZLIOWHOPRJZ-ZDUSSCGKSA-N 1 0 324.519 2.358 50 0 DEAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000076022042 401778091 /nfs/dbraw/zinc/77/80/91/401778091.db2.gz RZMKZQHZXVDDCL-STQMWFEESA-N 1 0 322.453 2.098 50 0 DEAARO CN(Cc1c(F)cccc1Cl)C(=O)CSC1=[NH+]CCN1 ZINC000012752674 401790825 /nfs/dbraw/zinc/79/08/25/401790825.db2.gz OTUWOACBIMIJCL-UHFFFAOYSA-N 1 0 315.801 2.130 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012999256 401795359 /nfs/dbraw/zinc/79/53/59/401795359.db2.gz VEHBORBQHMXYCI-YVEFUNNKSA-N 1 0 323.396 2.390 50 0 DEAARO COc1c(C)cnc(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)c1C ZINC000077504927 401817757 /nfs/dbraw/zinc/81/77/57/401817757.db2.gz GMPGDHFMCYKWBQ-UHFFFAOYSA-N 1 0 319.405 2.124 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCSc2ccccc21 ZINC000015785863 401818392 /nfs/dbraw/zinc/81/83/92/401818392.db2.gz OFXFDTBZXISPPK-AWEZNQCLSA-N 1 0 319.474 2.199 50 0 DEAARO CN(Cc1nccn1C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019952522 401823239 /nfs/dbraw/zinc/82/32/39/401823239.db2.gz YOCGGXLGQOIZPZ-SFHVURJKSA-N 1 0 324.472 2.484 50 0 DEAARO COc1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)ccc1F ZINC000020450110 401824444 /nfs/dbraw/zinc/82/44/44/401824444.db2.gz IZIVNMJRFWDIRD-INIZCTEOSA-N 1 0 324.440 2.359 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000023197570 401827894 /nfs/dbraw/zinc/82/78/94/401827894.db2.gz ILSYQCHLMBQCEM-QGZVFWFLSA-N 1 0 314.433 2.103 50 0 DEAARO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccccc2)cc1OC ZINC000026163419 401839212 /nfs/dbraw/zinc/83/92/12/401839212.db2.gz HLKHITYTLFAIBB-QGZVFWFLSA-N 1 0 314.385 2.063 50 0 DEAARO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCCc2ccccc21 ZINC000026905087 401842690 /nfs/dbraw/zinc/84/26/90/401842690.db2.gz BFYNYPUFRZIJAG-HNNXBMFYSA-N 1 0 315.417 2.326 50 0 DEAARO CN1CC[NH+](C2(CNC(=O)c3cccs3)CCCCC2)CC1 ZINC000027742186 401847675 /nfs/dbraw/zinc/84/76/75/401847675.db2.gz PKMSTZKANJXLSK-UHFFFAOYSA-N 1 0 321.490 2.428 50 0 DEAARO OCCCC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000078776845 401865844 /nfs/dbraw/zinc/86/58/44/401865844.db2.gz HWTLFXWGIFLYJH-UHFFFAOYSA-N 1 0 312.417 2.038 50 0 DEAARO COc1cc(C[NH2+][C@@H](C)Cn2ccnc2)cc(OC)c1OC ZINC000030909671 401867078 /nfs/dbraw/zinc/86/70/78/401867078.db2.gz KYCPBWJBDCLOBQ-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO CC(=O)N[C@@H]1C[N@H+](CCCCCCO)C[C@H]1c1ccc(C)cc1 ZINC000077426957 401815299 /nfs/dbraw/zinc/81/52/99/401815299.db2.gz ZQQMEJIDBIKRFP-RBUKOAKNSA-N 1 0 318.461 2.452 50 0 DEAARO COc1ccc(CCCC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000077424601 401815389 /nfs/dbraw/zinc/81/53/89/401815389.db2.gz HMWIBSPZGAMXCM-DOTOQJQBSA-N 1 0 302.418 2.180 50 0 DEAARO C[NH+](C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccsc1 ZINC000032816921 401883758 /nfs/dbraw/zinc/88/37/58/401883758.db2.gz CVJJQOSOJNFNDH-CQSZACIVSA-N 1 0 315.398 2.054 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)cn2)C[C@H]1CC ZINC000133560934 401890521 /nfs/dbraw/zinc/89/05/21/401890521.db2.gz LRGGJMZWSNKTEK-OAHLLOKOSA-N 1 0 320.437 2.355 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000035224570 401897168 /nfs/dbraw/zinc/89/71/68/401897168.db2.gz ZWRGBFKGPOMPOY-GFCCVEGCSA-N 1 0 302.296 2.344 50 0 DEAARO c1nc2ccccn2c1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082092562 401899830 /nfs/dbraw/zinc/89/98/30/401899830.db2.gz ZKRJYPXKKVZHEF-OAHLLOKOSA-N 1 0 315.417 2.195 50 0 DEAARO CCNC(=O)CC[NH+]1CCC(C(C)=O)(c2ccccc2)CC1 ZINC000035853746 401901408 /nfs/dbraw/zinc/90/14/08/401901408.db2.gz HJOCADIQXHXICG-UHFFFAOYSA-N 1 0 302.418 2.135 50 0 DEAARO COCC[N@@H+](Cc1cccs1)C[C@H](O)COCC(C)C ZINC000036096546 401902643 /nfs/dbraw/zinc/90/26/43/401902643.db2.gz XZWYSLARRNWSNR-AWEZNQCLSA-N 1 0 301.452 2.230 50 0 DEAARO Cc1ccc(C)c(OC[C@H](O)CN2CC[NH+](C3CC3)CC2)c1C ZINC000084147789 401903104 /nfs/dbraw/zinc/90/31/04/401903104.db2.gz XYJOIPLIBVXGFQ-GOSISDBHSA-N 1 0 318.461 2.132 50 0 DEAARO O=C(NCc1ccc(Br)s1)[C@@H]1CCCC[NH2+]1 ZINC000038018764 401920269 /nfs/dbraw/zinc/92/02/69/401920269.db2.gz FVVIVUCLKQNUDA-VIFPVBQESA-N 1 0 303.225 2.269 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1ccc2ccccc2n1 ZINC000048285556 401997278 /nfs/dbraw/zinc/99/72/78/401997278.db2.gz LEVPNDCQMSQIMD-UHFFFAOYSA-N 1 0 313.401 2.077 50 0 DEAARO Cc1[nH+]c(CNS(=O)(=O)Cc2ccccc2)c2ccccn12 ZINC000089708983 401958578 /nfs/dbraw/zinc/95/85/78/401958578.db2.gz GWYKNKMCTUHHHC-UHFFFAOYSA-N 1 0 315.398 2.262 50 0 DEAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000089741117 401960192 /nfs/dbraw/zinc/96/01/92/401960192.db2.gz LZHADVCFWKXTGE-CYBMUJFWSA-N 1 0 324.388 2.245 50 0 DEAARO CC(C)[C@H](C(=O)NCc1cccc(CO)c1)[NH+]1CCCCC1 ZINC000089791097 401964307 /nfs/dbraw/zinc/96/43/07/401964307.db2.gz RFWOYHTZCIXCPI-QGZVFWFLSA-N 1 0 304.434 2.306 50 0 DEAARO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)n1 ZINC000089282857 401941307 /nfs/dbraw/zinc/94/13/07/401941307.db2.gz UGFIUKGPPLYNEY-CYBMUJFWSA-N 1 0 313.401 2.330 50 0 DEAARO C[NH+](C)C1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000089314080 401942406 /nfs/dbraw/zinc/94/24/06/401942406.db2.gz KGVGNUZGMAWHJD-UHFFFAOYSA-N 1 0 317.437 2.240 50 0 DEAARO O=C(Cc1cccc(Br)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000050041929 402023967 /nfs/dbraw/zinc/02/39/67/402023967.db2.gz FYVIKINASAOUFH-GFCCVEGCSA-N 1 0 311.223 2.107 50 0 DEAARO CN(Cc1ccc2nonc2c1)C(=O)CCC[NH+]1CCCCC1 ZINC000095352116 402026504 /nfs/dbraw/zinc/02/65/04/402026504.db2.gz RUSSFITUWAWKAS-UHFFFAOYSA-N 1 0 316.405 2.447 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cn4ccccc4n3)C2)nn1 ZINC000095351548 402026633 /nfs/dbraw/zinc/02/66/33/402026633.db2.gz WPYCPKREGOYMKO-OAHLLOKOSA-N 1 0 322.416 2.191 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000095354948 402027170 /nfs/dbraw/zinc/02/71/70/402027170.db2.gz CQIGSKYPVFPMCN-KRWDZBQOSA-N 1 0 322.424 2.487 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@H](c2nccn2C)C2CC2)CC1 ZINC000095365543 402028414 /nfs/dbraw/zinc/02/84/14/402028414.db2.gz HCNHKUUYQGJSFT-INIZCTEOSA-N 1 0 304.438 2.109 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCO)Cc1cccs1 ZINC000095368430 402029100 /nfs/dbraw/zinc/02/91/00/402029100.db2.gz NPWSRRQFDYXOPS-CQSZACIVSA-N 1 0 310.463 2.334 50 0 DEAARO CC[C@H](COC)[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000095419926 402032424 /nfs/dbraw/zinc/03/24/24/402032424.db2.gz BYDCEFJTYVPZJF-OAHLLOKOSA-N 1 0 319.449 2.104 50 0 DEAARO c1ccc(-c2nc(N3CC[NH+](C4CCOCC4)CC3)no2)cc1 ZINC000095945765 402035855 /nfs/dbraw/zinc/03/58/55/402035855.db2.gz GYQGMOVDSKXCNF-UHFFFAOYSA-N 1 0 314.389 2.038 50 0 DEAARO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccnc2)cc1 ZINC000095972611 402038840 /nfs/dbraw/zinc/03/88/40/402038840.db2.gz QBCTYQJNHFJMTH-MRXNPFEDSA-N 1 0 319.430 2.183 50 0 DEAARO COc1ccccc1OCCN(C)C(=O)C1([NH3+])CCCCC1 ZINC000095971049 402039255 /nfs/dbraw/zinc/03/92/55/402039255.db2.gz AYIKBYDZTYQUEL-UHFFFAOYSA-N 1 0 306.406 2.194 50 0 DEAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000095972687 402039337 /nfs/dbraw/zinc/03/93/37/402039337.db2.gz KZNICRHYGRPNPP-UONOGXRCSA-N 1 0 321.446 2.228 50 0 DEAARO Cc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)c(Cl)c1 ZINC000095972373 402039427 /nfs/dbraw/zinc/03/94/27/402039427.db2.gz YLJJAIMFCBHVFS-CYBMUJFWSA-N 1 0 302.827 2.054 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000095973118 402039552 /nfs/dbraw/zinc/03/95/52/402039552.db2.gz HFMFLDYPEACCQJ-RISCZKNCSA-N 1 0 314.223 2.329 50 0 DEAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cc(C)no2)C1 ZINC000052593884 402044268 /nfs/dbraw/zinc/04/42/68/402044268.db2.gz XWGCNHRLVWCTIJ-ZIAGYGMSSA-N 1 0 306.410 2.314 50 0 DEAARO O=c1nc(CCC[NH2+]Cc2ccc(-c3ccccc3)cc2)[nH][nH]1 ZINC000096003711 402045943 /nfs/dbraw/zinc/04/59/43/402045943.db2.gz SOCRXVJZCLEBLH-UHFFFAOYSA-N 1 0 308.385 2.487 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000053202513 402052304 /nfs/dbraw/zinc/05/23/04/402052304.db2.gz YHFRVMRJCIPWIX-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO Brc1cc(C[NH2+]CCn2cccn2)cc2c1OCO2 ZINC000048449660 402000794 /nfs/dbraw/zinc/00/07/94/402000794.db2.gz XGPXSFOTYIUEPL-UHFFFAOYSA-N 1 0 324.178 2.164 50 0 DEAARO Cc1nc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cs1 ZINC000048785409 402007891 /nfs/dbraw/zinc/00/78/91/402007891.db2.gz NLASOXLZAAPDMA-UHFFFAOYSA-N 1 0 316.430 2.241 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 ZINC000096404214 402078332 /nfs/dbraw/zinc/07/83/32/402078332.db2.gz XJINOUWXAWTJIN-NSHDSACASA-N 1 0 312.211 2.010 50 0 DEAARO COc1ccnc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1 ZINC000096407517 402079011 /nfs/dbraw/zinc/07/90/11/402079011.db2.gz GNDHCYZLTXREDJ-UHFFFAOYSA-N 1 0 305.422 2.427 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc(NC(C)=O)ccc1Cl ZINC000055283489 402079565 /nfs/dbraw/zinc/07/95/65/402079565.db2.gz WGWNMMGYQVYFAI-UHFFFAOYSA-N 1 0 311.813 2.370 50 0 DEAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1n[nH]c2c1CCC2 ZINC000055392822 402080957 /nfs/dbraw/zinc/08/09/57/402080957.db2.gz LCQADUVYLPECGN-UHFFFAOYSA-N 1 0 304.438 2.237 50 0 DEAARO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc[nH]3)[C@H](C)C2)s1 ZINC000096419303 402082086 /nfs/dbraw/zinc/08/20/86/402082086.db2.gz OPCZXMNOTIFGFJ-RISCZKNCSA-N 1 0 318.446 2.420 50 0 DEAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096421787 402082498 /nfs/dbraw/zinc/08/24/98/402082498.db2.gz DMAHSPSVYCMKQC-DLBZAZTESA-N 1 0 305.418 2.447 50 0 DEAARO CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096428259 402084541 /nfs/dbraw/zinc/08/45/41/402084541.db2.gz XTDLBJBUBDSQDX-JSGCOSHPSA-N 1 0 316.492 2.460 50 0 DEAARO O=C(CCc1nc2ccccc2[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000055669205 402085102 /nfs/dbraw/zinc/08/51/02/402085102.db2.gz CZXYLXLKBSLMEK-UHFFFAOYSA-N 1 0 312.417 2.050 50 0 DEAARO CCCS(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096433522 402085873 /nfs/dbraw/zinc/08/58/73/402085873.db2.gz PPZGVQPCVUDJTA-INIZCTEOSA-N 1 0 310.463 2.180 50 0 DEAARO CCCS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096433523 402085920 /nfs/dbraw/zinc/08/59/20/402085920.db2.gz PPZGVQPCVUDJTA-MRXNPFEDSA-N 1 0 310.463 2.180 50 0 DEAARO CN(C)c1ccccc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000096441424 402087786 /nfs/dbraw/zinc/08/77/86/402087786.db2.gz XSQGXSYUILHSRH-INIZCTEOSA-N 1 0 301.434 2.339 50 0 DEAARO CN(C)c1ccccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000096441361 402087877 /nfs/dbraw/zinc/08/78/77/402087877.db2.gz IQMOIBZEMNFVKA-KRWDZBQOSA-N 1 0 303.450 2.049 50 0 DEAARO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000096443495 402088222 /nfs/dbraw/zinc/08/82/22/402088222.db2.gz BNYTVDJLCKXUBR-NSHDSACASA-N 1 0 319.327 2.297 50 0 DEAARO COc1cc(C)c(C[NH2+]C[C@@H](C)N2CCOC[C@@H]2C)cc1OC ZINC000096459557 402092142 /nfs/dbraw/zinc/09/21/42/402092142.db2.gz WKLVOIPHBZQCPR-CABCVRRESA-N 1 0 322.449 2.211 50 0 DEAARO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000096500887 402097338 /nfs/dbraw/zinc/09/73/38/402097338.db2.gz VMPIORJPPBLJGD-IBGZPJMESA-N 1 0 324.424 2.492 50 0 DEAARO COc1c(C[NH2+]C[C@@H]2COc3ccccc3C2)c(C)nn1C ZINC000058428105 402101156 /nfs/dbraw/zinc/10/11/56/402101156.db2.gz UYZWPYMFNWFJMK-CYBMUJFWSA-N 1 0 301.390 2.078 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000097105579 402107566 /nfs/dbraw/zinc/10/75/66/402107566.db2.gz NTIDHYKCFCTRII-UXLLHSPISA-N 1 0 322.449 2.027 50 0 DEAARO Cc1nccn1-c1cncc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000097104565 402107870 /nfs/dbraw/zinc/10/78/70/402107870.db2.gz IRJISIMIUFKAQC-CYBMUJFWSA-N 1 0 300.410 2.115 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)cc1F ZINC000097165426 402114077 /nfs/dbraw/zinc/11/40/77/402114077.db2.gz BIMHJGYUVDLABY-NSHDSACASA-N 1 0 318.389 2.036 50 0 DEAARO CC(C)N(C)C(=O)c1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000097197970 402115130 /nfs/dbraw/zinc/11/51/30/402115130.db2.gz SYNVURWRGWJCLR-UHFFFAOYSA-N 1 0 300.406 2.190 50 0 DEAARO CCn1cc(C2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000097203638 402117688 /nfs/dbraw/zinc/11/76/88/402117688.db2.gz BDJPSJRSVGYWHJ-KRWDZBQOSA-N 1 0 312.417 2.309 50 0 DEAARO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234108 402119228 /nfs/dbraw/zinc/11/92/28/402119228.db2.gz LXXLCRKSJPJKPN-TZMCWYRMSA-N 1 0 308.426 2.298 50 0 DEAARO CSCCc1nc(C[C@@H]2C[NH2+]CCO2)n(C2CCCCC2)n1 ZINC000096131979 402061376 /nfs/dbraw/zinc/06/13/76/402061376.db2.gz OVYZKAOTXYBKNW-CQSZACIVSA-N 1 0 324.494 2.220 50 0 DEAARO CN(CCn1ccc2ccccc21)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096139734 402061986 /nfs/dbraw/zinc/06/19/86/402061986.db2.gz MYELRRNNDOAMKA-MRXNPFEDSA-N 1 0 311.429 2.489 50 0 DEAARO COc1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000054173657 402063860 /nfs/dbraw/zinc/06/38/60/402063860.db2.gz GKHNXERXBFEPST-INIZCTEOSA-N 1 0 315.369 2.290 50 0 DEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)nc2C)C1 ZINC000096179995 402064706 /nfs/dbraw/zinc/06/47/06/402064706.db2.gz OYPBLNUZMIXNSQ-HNNXBMFYSA-N 1 0 320.437 2.178 50 0 DEAARO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000065473656 402125805 /nfs/dbraw/zinc/12/58/05/402125805.db2.gz HKBYZADEEDWWBY-QGZVFWFLSA-N 1 0 310.401 2.090 50 0 DEAARO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000065568676 402126563 /nfs/dbraw/zinc/12/65/63/402126563.db2.gz KPSUZVMICQKBSN-ZIAGYGMSSA-N 1 0 323.481 2.013 50 0 DEAARO CCOc1ccc(C(C)=O)cc1NC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000097527297 402126682 /nfs/dbraw/zinc/12/66/82/402126682.db2.gz NTTVQMYBVWTSBH-STQMWFEESA-N 1 0 323.368 2.109 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000097514994 402126780 /nfs/dbraw/zinc/12/67/80/402126780.db2.gz IZQQFFFDNQDVAX-CQSZACIVSA-N 1 0 300.406 2.428 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000097574980 402127639 /nfs/dbraw/zinc/12/76/39/402127639.db2.gz UETJQPATQAMBMX-QGZVFWFLSA-N 1 0 315.461 2.430 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000098055883 402135256 /nfs/dbraw/zinc/13/52/56/402135256.db2.gz HFCWSAWGKGCWLY-UMBAGQNISA-N 1 0 324.837 2.225 50 0 DEAARO Cn1nc2ccccc2c1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000100012420 402139142 /nfs/dbraw/zinc/13/91/42/402139142.db2.gz INMQDEMSQWWCSB-BTTYYORXSA-N 1 0 312.417 2.318 50 0 in-vitro DEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000123879841 402151528 /nfs/dbraw/zinc/15/15/28/402151528.db2.gz BHDKOQMADQEVBE-JOYOIKCWSA-N 1 0 320.817 2.370 50 0 DEAARO O=C(c1coc2c1C(=O)CCC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067920960 402178559 /nfs/dbraw/zinc/17/85/59/402178559.db2.gz RKQCWQKTNLAOKG-KRWDZBQOSA-N 1 0 302.374 2.014 50 0 DEAARO Cc1ccc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000068048933 402183603 /nfs/dbraw/zinc/18/36/03/402183603.db2.gz ZKERVMUFZVPMRC-GOSISDBHSA-N 1 0 315.413 2.229 50 0 DEAARO C=Cn1cc(C[NH+]2CCC(CNC(=O)NC(C)(C)C)CC2)cn1 ZINC000067654241 402166420 /nfs/dbraw/zinc/16/64/20/402166420.db2.gz ASLJUFGVEZZLPW-UHFFFAOYSA-N 1 0 319.453 2.293 50 0 DEAARO C[C@@H]([NH3+])CC(=O)NCc1cccnc1N1CCCCCCC1 ZINC000067674096 402167359 /nfs/dbraw/zinc/16/73/59/402167359.db2.gz MQVKMHPMQJRZHL-CQSZACIVSA-N 1 0 304.438 2.206 50 0 DEAARO O=C(c1cccc(-n2cccn2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067696361 402168025 /nfs/dbraw/zinc/16/80/25/402168025.db2.gz DZEIXIKYNSYUPE-GOSISDBHSA-N 1 0 310.401 2.088 50 0 DEAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCC(=O)c1ccccc1 ZINC000067757329 402171559 /nfs/dbraw/zinc/17/15/59/402171559.db2.gz SJRBQSORQHOGSK-HNNXBMFYSA-N 1 0 302.418 2.450 50 0 DEAARO CC(C)Cc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000067821459 402173498 /nfs/dbraw/zinc/17/34/98/402173498.db2.gz SBIVFOZQSOCOOW-CQSZACIVSA-N 1 0 306.454 2.080 50 0 DEAARO O=C([C@H]1CCOC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000067805537 402173828 /nfs/dbraw/zinc/17/38/28/402173828.db2.gz DPBRDXDQAKNBAC-WCWCZOKXSA-N 1 0 318.461 2.136 50 0 DEAARO Cc1nc(N[C@H](C)Cc2cnccn2)cc(C2CC[NH2+]CC2)n1 ZINC000067909865 402178004 /nfs/dbraw/zinc/17/80/04/402178004.db2.gz NGEFGUUIVLVJPG-GFCCVEGCSA-N 1 0 312.421 2.085 50 0 DEAARO CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)OCCO3)s1 ZINC000069161084 402214707 /nfs/dbraw/zinc/21/47/07/402214707.db2.gz WZQSWMIRSKWQSZ-UHFFFAOYSA-N 1 0 305.403 2.270 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)nc1 ZINC000069455042 402224738 /nfs/dbraw/zinc/22/47/38/402224738.db2.gz AJDNYDZSRADMKF-CVEARBPZSA-N 1 0 314.433 2.355 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069489510 402226688 /nfs/dbraw/zinc/22/66/88/402226688.db2.gz MFTYBCHTLZRWKO-ZIAGYGMSSA-N 1 0 321.446 2.334 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1Br ZINC000069527496 402228810 /nfs/dbraw/zinc/22/88/10/402228810.db2.gz MNAVEJXPXJQNNX-VXGBXAGGSA-N 1 0 313.239 2.430 50 0 DEAARO CN(C)C(=O)CC[N@H+](C)CCc1ccc(Br)cc1 ZINC000069529175 402229409 /nfs/dbraw/zinc/22/94/09/402229409.db2.gz OBISJKBJHKRZNJ-UHFFFAOYSA-N 1 0 313.239 2.402 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)c2cccn2C)[NH+]2CCCC2)o1 ZINC000069536638 402230672 /nfs/dbraw/zinc/23/06/72/402230672.db2.gz SAIFMCKLQKMNCB-OAHLLOKOSA-N 1 0 301.390 2.493 50 0 DEAARO Cc1noc(C)c1C[NH2+]C[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000069588744 402232798 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ZINC000069845996 402246834 /nfs/dbraw/zinc/24/68/34/402246834.db2.gz BZPZYXNVLQFKGZ-JOCHJYFZSA-N 1 0 317.410 2.454 50 0 DEAARO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn21 ZINC000069872951 402248247 /nfs/dbraw/zinc/24/82/47/402248247.db2.gz KFPPMDUAKRELDI-OAHLLOKOSA-N 1 0 310.405 2.146 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000069875337 402249045 /nfs/dbraw/zinc/24/90/45/402249045.db2.gz MCMFPPSTLUDIQF-KSZLIROESA-N 1 0 320.408 2.334 50 0 DEAARO C[C@@H](O)C[NH+]1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000069949762 402252543 /nfs/dbraw/zinc/25/25/43/402252543.db2.gz PRJDAFFANBVGJQ-CYBMUJFWSA-N 1 0 319.836 2.387 50 0 DEAARO Cc1cc(C)n2c(CN3CC[N@@H+](C)C[C@H]3C(C)C)cnc2n1 ZINC000108472720 402254099 /nfs/dbraw/zinc/25/40/99/402254099.db2.gz OTEAYWXFVYLSRG-INIZCTEOSA-N 1 0 301.438 2.118 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000070173587 402258560 /nfs/dbraw/zinc/25/85/60/402258560.db2.gz VGWDWRJGCNZLNI-VHSXEESVSA-N 1 0 320.817 2.227 50 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274370635 /nfs/dbraw/zinc/37/06/35/274370635.db2.gz ZMCHOSZDNGZVOI-LLVKDONJSA-N 1 0 317.355 2.382 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(-n2cccc2)nc1C ZINC000020865647 276187036 /nfs/dbraw/zinc/18/70/36/276187036.db2.gz DRMRXPIJUVJNBM-ZDUSSCGKSA-N 1 0 318.446 2.456 50 0 DEAARO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091770730 276312994 /nfs/dbraw/zinc/31/29/94/276312994.db2.gz BCILUUZFGDTOCD-DLBZAZTESA-N 1 0 302.418 2.146 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCc3c2cccc3F)C1 ZINC000195570368 276796098 /nfs/dbraw/zinc/79/60/98/276796098.db2.gz ZXNGAGFPNCGSPP-LRDDRELGSA-N 1 0 305.397 2.406 50 0 DEAARO CO[C@H](C[NH3+])CC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000262750661 277328512 /nfs/dbraw/zinc/32/85/12/277328512.db2.gz BWFDOAMSDDXDQQ-INWMFGNUSA-N 1 0 308.447 2.055 50 0 DEAARO CC(C)C[NH+]1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 ZINC000011911108 277386672 /nfs/dbraw/zinc/38/66/72/277386672.db2.gz IMPGATHBPRTQTM-UHFFFAOYSA-N 1 0 319.453 2.197 50 0 DEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OC)c1 ZINC000000543966 277936378 /nfs/dbraw/zinc/93/63/78/277936378.db2.gz UJGIOLPSRNVVDU-HNNXBMFYSA-N 1 0 323.356 2.341 50 0 DEAARO C[C@H]1c2ccsc2CC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000040515875 280135727 /nfs/dbraw/zinc/13/57/27/280135727.db2.gz BVHNPOKLMAYGQW-NSHDSACASA-N 1 0 321.446 2.388 50 0 DEAARO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2[NH+]1CCCC1 ZINC000032603926 280386683 /nfs/dbraw/zinc/38/66/83/280386683.db2.gz JUINYAXHAOBLRR-AWEZNQCLSA-N 1 0 303.406 2.125 50 0 DEAARO Cc1cnn(CCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000091550500 292999662 /nfs/dbraw/zinc/99/96/62/292999662.db2.gz RTRQQSSJRZKCNH-QGZVFWFLSA-N 1 0 318.465 2.449 50 0 DEAARO Cc1noc2nc(C(C)C)cc(C(=O)N3CC[NH2+]C[C@@H]3C)c12 ZINC000125497667 293984394 /nfs/dbraw/zinc/98/43/94/293984394.db2.gz SJTFSOJHARDPAT-JTQLQIEISA-N 1 0 302.378 2.089 50 0 DEAARO CSc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299761269 334257979 /nfs/dbraw/zinc/25/79/79/334257979.db2.gz 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CCN(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000012431153 636052404 /nfs/dbraw/zinc/05/24/04/636052404.db2.gz HPMQKJZWNYKHKA-HNNXBMFYSA-N 1 0 318.465 2.245 50 0 DEAARO OCc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055243877 646419853 /nfs/dbraw/zinc/41/98/53/646419853.db2.gz MEOHTTQHWYGGGI-OWOJBTEDSA-N 1 0 316.380 2.260 50 0 DEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000170790316 646667313 /nfs/dbraw/zinc/66/73/13/646667313.db2.gz QELIRBYRSFJYPL-MRXNPFEDSA-N 1 0 302.418 2.194 50 0 DEAARO Cc1cc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)[nH]n1 ZINC000020914690 683859817 /nfs/dbraw/zinc/85/98/17/683859817.db2.gz LQLJRFDFTOUIGJ-SFHVURJKSA-N 1 0 320.481 2.167 50 0 DEAARO O=C1N(C2CCOCC2)CCC[C@]12CCN(c1cc[nH+]cc1)C2 ZINC000091846219 684039778 /nfs/dbraw/zinc/03/97/78/684039778.db2.gz XFRUYGBFGBJSTP-GOSISDBHSA-N 1 0 315.417 2.080 50 0 DEAARO COc1ccc2c(c1)CCN2C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000195137769 685087710 /nfs/dbraw/zinc/08/77/10/685087710.db2.gz 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789694948 /nfs/dbraw/zinc/69/49/48/789694948.db2.gz AOECQLJNVVPXHI-NEPJUHHUSA-N 1 0 318.446 2.259 50 0 DEAARO C[N@H+]1C[C@H]2[C@H](C1)CCCN2CCC(=O)Nc1cccc(F)c1 ZINC000585115989 789702405 /nfs/dbraw/zinc/70/24/05/789702405.db2.gz CSHQFTFFNBPPKB-BBRMVZONSA-N 1 0 305.397 2.180 50 0 DEAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C/C(C)=C/C(=O)OC)C1 ZINC000585116738 789703411 /nfs/dbraw/zinc/70/34/11/789703411.db2.gz HCSIGUPVWDLINQ-CMOQBRTCSA-N 1 0 310.438 2.123 50 0 DEAARO CCOC(=O)c1cnc(C[NH2+]CCc2ccncc2C)s1 ZINC000585117604 789708022 /nfs/dbraw/zinc/70/80/22/789708022.db2.gz MWUFHJRGUWAMEN-UHFFFAOYSA-N 1 0 305.403 2.356 50 0 DEAARO CC(C)(O)C[NH+]1CCN(c2ccc(F)c3cnccc32)CC1 ZINC000952849699 792776237 /nfs/dbraw/zinc/77/62/37/792776237.db2.gz QITOSRDPRHEIQI-UHFFFAOYSA-N 1 0 303.381 2.267 50 0 DEAARO CC[N@H+](C)[C@@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 ZINC000952845718 792776262 /nfs/dbraw/zinc/77/62/62/792776262.db2.gz JSRUVYHDQOZZLH-CQSZACIVSA-N 1 0 312.417 2.378 50 0 DEAARO CNC(=O)c1ccc(NC(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000952863631 792779105 /nfs/dbraw/zinc/77/91/05/792779105.db2.gz VATZWPUMAOYQHE-UHFFFAOYSA-N 1 0 303.406 2.169 50 0 DEAARO [NH3+][C@@H](CC1OCCO1)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000952882713 792797776 /nfs/dbraw/zinc/79/77/76/792797776.db2.gz IXAKHLQIIMIZOE-KBPBESRZSA-N 1 0 324.808 2.094 50 0 DEAARO O=C(NCC1CC[NH+](CC[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000952979167 792844225 /nfs/dbraw/zinc/84/42/25/792844225.db2.gz GDOVZJLLGSUUET-MRXNPFEDSA-N 1 0 308.466 2.431 50 0 DEAARO CCC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)c1cccs1 ZINC000952968460 792849062 /nfs/dbraw/zinc/84/90/62/792849062.db2.gz CBTLUWAUCXBVEE-CQSZACIVSA-N 1 0 309.479 2.343 50 0 DEAARO Cc1cc(C(=O)Nc2cc(C)ccc2NC(=O)CN(C)C)on1 ZINC000952991456 792877909 /nfs/dbraw/zinc/87/79/09/792877909.db2.gz PSZPEEFKDJICOS-UHFFFAOYSA-N 1 0 316.361 2.044 50 0 DEAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2ccnc2)C1(C)C ZINC000404706052 802028532 /nfs/dbraw/zinc/02/85/32/802028532.db2.gz JFUSNEPREFQXDB-OLZOCXBDSA-N 1 0 308.426 2.165 50 0 DEAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000405218749 802044540 /nfs/dbraw/zinc/04/45/40/802044540.db2.gz LNSXFBSFLRMHGC-KGLIPLIRSA-N 1 0 320.437 2.309 50 0 DEAARO Cc1nnc(NCC[N@@H+]2CCCC[C@H]2CO)c2ccccc12 ZINC001529090297 1070846058 /nfs/dbraw/zinc/84/60/58/1070846058.db2.gz GAUYNGUYSIIEIV-AWEZNQCLSA-N 1 0 300.406 2.197 50 0 DEAARO Cc1nncn1CC[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC001529173673 1070902349 /nfs/dbraw/zinc/90/23/49/1070902349.db2.gz OCJPXRHRDNWTNV-HNNXBMFYSA-N 1 0 306.435 2.094 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)C[C@H]2O)[nH]n1 ZINC001529172959 1070902956 /nfs/dbraw/zinc/90/29/56/1070902956.db2.gz JYACODPRINDHTP-NVXWUHKLSA-N 1 0 310.401 2.235 50 0 DEAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC001506398482 1061938574 /nfs/dbraw/zinc/93/85/74/1061938574.db2.gz CGGFGRIZSPLYHD-UHFFFAOYSA-N 1 0 311.813 2.387 50 0 DEAARO COc1ccccc1C1CC[NH+](CCn2cnnc2C)CC1 ZINC001506402627 1061945118 /nfs/dbraw/zinc/94/51/18/1061945118.db2.gz UNGCXVDKJRTWBL-UHFFFAOYSA-N 1 0 300.406 2.475 50 0 DEAARO O=C1CCC2(CC[NH+]([C@H]3CCN(c4ccccc4)C3)CC2)CN1 ZINC001506407702 1061945604 /nfs/dbraw/zinc/94/56/04/1061945604.db2.gz KYSZYLFDMHHNIA-KRWDZBQOSA-N 1 0 313.445 2.258 50 0 DEAARO Cc1ccc(N2CCC([NH2+]C3(C(N)=O)CCCC3)CC2)cc1 ZINC001506410860 1061952495 /nfs/dbraw/zinc/95/24/95/1061952495.db2.gz UYBADNUYSZXVJK-UHFFFAOYSA-N 1 0 301.434 2.352 50 0 DEAARO COc1ccc([C@H](C)[N@H+](C)CCn2cnnc2C)c(OC)c1 ZINC001506416685 1061960011 /nfs/dbraw/zinc/96/00/11/1061960011.db2.gz KOGLQYFIZWYZCH-LBPRGKRZSA-N 1 0 304.394 2.297 50 0 DEAARO NC(=O)C1([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)CCCC1 ZINC001506427484 1061973545 /nfs/dbraw/zinc/97/35/45/1061973545.db2.gz MVVFFAIYPQVROA-UHFFFAOYSA-N 1 0 323.387 2.321 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCOC1 ZINC000048311710 295659977 /nfs/dbraw/zinc/65/99/77/295659977.db2.gz KCEUGYOOVOJBME-KBPBESRZSA-N 1 0 323.462 2.221 50 0 DEAARO Cc1nc2sccc2c(N[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000095362345 282139954 /nfs/dbraw/zinc/13/99/54/282139954.db2.gz QXONBIGXQMFYHC-LLVKDONJSA-N 1 0 304.419 2.323 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000078895619 185124453 /nfs/dbraw/zinc/12/44/53/185124453.db2.gz DOOLRUOYGMIHBE-DYVFJYSZSA-N 1 0 320.481 2.107 50 0 DEAARO C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078942305 185132705 /nfs/dbraw/zinc/13/27/05/185132705.db2.gz RGGAPHFJXPOZPK-ZIAGYGMSSA-N 1 0 311.470 2.100 50 0 DEAARO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000079066717 185152638 /nfs/dbraw/zinc/15/26/38/185152638.db2.gz RHJLKACHRFFORA-GDBMZVCRSA-N 1 0 318.417 2.283 50 0 DEAARO [NH3+][C@H]1CCCCN(CCC(=O)N2CCCc3ccccc32)C1 ZINC000082100674 192356779 /nfs/dbraw/zinc/35/67/79/192356779.db2.gz UMRFFOLGPYYKOQ-INIZCTEOSA-N 1 0 301.434 2.169 50 0 DEAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1cc[nH]n1 ZINC000095400362 185353964 /nfs/dbraw/zinc/35/39/64/185353964.db2.gz OAXACARIJIRYEP-UHFFFAOYSA-N 1 0 300.406 2.110 50 0 DEAARO Cc1nc(C)c(C)c(N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000095416506 185358963 /nfs/dbraw/zinc/35/89/63/185358963.db2.gz XVHOYLOTQHBQLW-UHFFFAOYSA-N 1 0 318.465 2.341 50 0 DEAARO Cc1nn(C)c2nc(N3CCN(c4cc[nH+]cc4)CC3)sc12 ZINC000095517153 282285221 /nfs/dbraw/zinc/28/52/21/282285221.db2.gz HQKVXMBYKGTIHH-UHFFFAOYSA-N 1 0 314.418 2.060 50 0 DEAARO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000246009832 529798838 /nfs/dbraw/zinc/79/88/38/529798838.db2.gz SYQRFBDQJOJZEZ-LZLYRXPVSA-N 1 0 313.445 2.452 50 0 DEAARO Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000097019018 185398051 /nfs/dbraw/zinc/39/80/51/185398051.db2.gz GZKOQKVSIJLHPC-IRXDYDNUSA-N 1 0 317.433 2.494 50 0 DEAARO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000097038355 185401408 /nfs/dbraw/zinc/40/14/08/185401408.db2.gz IWAWBLVMRDMIFY-GFCCVEGCSA-N 1 0 317.437 2.159 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000248077328 529937319 /nfs/dbraw/zinc/93/73/19/529937319.db2.gz UNZDNFQFRNAWLP-ARFHVFGLSA-N 1 0 302.418 2.292 50 0 DEAARO OCC1([NH2+]CCCO[C@@H]2CCCCO2)Cc2ccccc2C1 ZINC000225770674 201744578 /nfs/dbraw/zinc/74/45/78/201744578.db2.gz JYHSPLDVAGZSCO-QGZVFWFLSA-N 1 0 305.418 2.039 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[S@](C)=O ZINC000090843562 539418852 /nfs/dbraw/zinc/41/88/52/539418852.db2.gz ISRHFWLOFWMTDX-QSRBQVKKSA-N 1 0 310.419 2.061 50 0 DEAARO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000093613198 539431515 /nfs/dbraw/zinc/43/15/15/539431515.db2.gz NZDRUGZOQOFABD-HOTGVXAUSA-N 1 0 309.406 2.178 50 0 DEAARO Cc1noc(C)c1C[NH2+][C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000071859770 282387525 /nfs/dbraw/zinc/38/75/25/282387525.db2.gz HTQKKTMVOHBHJU-AWEZNQCLSA-N 1 0 301.394 2.148 50 0 DEAARO Cn1c(C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)cc2ccc(Cl)cc21 ZINC000426523765 282569075 /nfs/dbraw/zinc/56/90/75/282569075.db2.gz ZWIZYNPGNPVOEQ-WCQYABFASA-N 1 0 303.793 2.266 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000071752546 191022982 /nfs/dbraw/zinc/02/29/82/191022982.db2.gz OQIOIVVMLLKNAW-HTQZYQBOSA-N 1 0 309.218 2.152 50 0 DEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[C@H]([NH+](C)C)C1 ZINC000072166282 191064889 /nfs/dbraw/zinc/06/48/89/191064889.db2.gz WDQUGODVSXBJCW-ZDUSSCGKSA-N 1 0 314.437 2.161 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CCC[C@H]3C[NH3+])c2)cc1 ZINC000237447847 186290668 /nfs/dbraw/zinc/29/06/68/186290668.db2.gz NRDXYGOJXZJWMG-INIZCTEOSA-N 1 0 311.385 2.321 50 0 DEAARO Cn1cc([C@](C)(O)C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000253396909 186305709 /nfs/dbraw/zinc/30/57/09/186305709.db2.gz WDRLIRPRTUFYGV-RAIGVLPGSA-N 1 0 305.344 2.338 50 0 DEAARO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000072313444 191119913 /nfs/dbraw/zinc/11/99/13/191119913.db2.gz HMRXGLOOYVYGPT-QGZVFWFLSA-N 1 0 304.434 2.348 50 0 DEAARO CCc1cc(N(C)CC[NH+]2CCCC2)n2nc(C)c(C)c2n1 ZINC000072436086 191166379 /nfs/dbraw/zinc/16/63/79/191166379.db2.gz VGMZNNOIDGWBRT-UHFFFAOYSA-N 1 0 301.438 2.441 50 0 DEAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC000299753960 539859900 /nfs/dbraw/zinc/85/99/00/539859900.db2.gz AFSPOYJAGZQRRW-CRAIPNDOSA-N 1 0 307.482 2.051 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2ccc3cc[nH]c3c2)CCOCC1 ZINC000073133582 191281729 /nfs/dbraw/zinc/28/17/29/191281729.db2.gz LTKKVOMUQGWVOX-UHFFFAOYSA-N 1 0 301.390 2.009 50 0 DEAARO CN(Cn1ncn(-c2ccccc2)c1=S)C1CC[NH+](C)CC1 ZINC000003288613 181000970 /nfs/dbraw/zinc/00/09/70/181000970.db2.gz ICYAOPVBILAFTP-UHFFFAOYSA-N 1 0 317.462 2.387 50 0 DEAARO Cc1ccc2c(C[NH+]3CCC(C(N)=O)CC3)cc(=O)oc2c1C ZINC000003486575 181025649 /nfs/dbraw/zinc/02/56/49/181025649.db2.gz LWYJYNXQBBZLKF-UHFFFAOYSA-N 1 0 314.385 2.107 50 0 DEAARO Ic1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782837 283041218 /nfs/dbraw/zinc/04/12/18/283041218.db2.gz SWTJQNRHOSKLFS-LLVKDONJSA-N 1 0 303.143 2.422 50 0 DEAARO O=C1NCCN1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000072287552 354900038 /nfs/dbraw/zinc/90/00/38/354900038.db2.gz FPHIDFLQDLLVMM-CQSZACIVSA-N 1 0 305.447 2.268 50 0 DEAARO CC(C)Oc1ccccc1CN1CC[C@@H]([NH+](C)C)[C@@H](CO)C1 ZINC000075876334 355111050 /nfs/dbraw/zinc/11/10/50/355111050.db2.gz XNBVCKXMOJGJIY-IAGOWNOFSA-N 1 0 306.450 2.218 50 0 DEAARO COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)[C@@H](O)C1 ZINC000079464452 355311838 /nfs/dbraw/zinc/31/18/38/355311838.db2.gz BBFPQCGIBKPOHV-FUJDEKNSSA-N 1 0 317.429 2.425 50 0 DEAARO Cn1ccnc1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000078724160 355275815 /nfs/dbraw/zinc/27/58/15/355275815.db2.gz SOKIRUAWDDEBBC-UHFFFAOYSA-N 1 0 321.428 2.286 50 0 DEAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1ncc(C(C)(C)C)o1)CC2 ZINC000095364968 355696530 /nfs/dbraw/zinc/69/65/30/355696530.db2.gz LCAAAYYCKCIJSR-GFCCVEGCSA-N 1 0 303.410 2.224 50 0 DEAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)o1 ZINC000095402340 355697292 /nfs/dbraw/zinc/69/72/92/355697292.db2.gz AXNBRMFKZQGGSR-SJORKVTESA-N 1 0 315.417 2.223 50 0 DEAARO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000097235725 355704061 /nfs/dbraw/zinc/70/40/61/355704061.db2.gz LOTZYHGBUNTAAM-GFCCVEGCSA-N 1 0 324.446 2.258 50 0 DEAARO C[NH+]1CCC(n2nc([C@H]3CCOC3)nc2-c2cc[nH]c2)CC1 ZINC000097547535 355706077 /nfs/dbraw/zinc/70/60/77/355706077.db2.gz KMSMODGUBMUXAY-ZDUSSCGKSA-N 1 0 301.394 2.044 50 0 DEAARO COc1ccc2oc(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697905 355745235 /nfs/dbraw/zinc/74/52/35/355745235.db2.gz LMXCSVHOAPXFTI-WMLDXEAASA-N 1 0 316.401 2.394 50 0 DEAARO O=C(CC1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000276962616 213205623 /nfs/dbraw/zinc/20/56/23/213205623.db2.gz DOCCVORMRQDMMB-QGZVFWFLSA-N 1 0 302.418 2.194 50 0 DEAARO COc1ccc(OC)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000106661442 355724255 /nfs/dbraw/zinc/72/42/55/355724255.db2.gz MVAGAZKFLWVCRE-HZPDHXFCSA-N 1 0 318.417 2.403 50 0 DEAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2ccccc2)n1 ZINC000106843679 355726053 /nfs/dbraw/zinc/72/60/53/355726053.db2.gz NYCONMAAGPSQGH-IAGOWNOFSA-N 1 0 312.417 2.191 50 0 DEAARO CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000129967766 355837566 /nfs/dbraw/zinc/83/75/66/355837566.db2.gz XQWGUYQZACARQL-INIZCTEOSA-N 1 0 319.449 2.487 50 0 DEAARO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)oc1C ZINC000170603125 355987939 /nfs/dbraw/zinc/98/79/39/355987939.db2.gz HDTFLBMPDYQKKL-ZDUSSCGKSA-N 1 0 303.362 2.236 50 0 DEAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)nc1 ZINC000005307979 181228400 /nfs/dbraw/zinc/22/84/00/181228400.db2.gz ZJIXCUKJLVOVNE-UHFFFAOYSA-N 1 0 322.792 2.405 50 0 DEAARO COc1ccc(OC)c(CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000195543176 356256161 /nfs/dbraw/zinc/25/61/61/356256161.db2.gz BGEYVNRPIDZXST-TZMCWYRMSA-N 1 0 318.417 2.322 50 0 DEAARO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000195558176 356257162 /nfs/dbraw/zinc/25/71/62/356257162.db2.gz CLEJBCNYXVUUHK-ZDUSSCGKSA-N 1 0 300.406 2.044 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)C1 ZINC000195570429 356257899 /nfs/dbraw/zinc/25/78/99/356257899.db2.gz UNQDWFNBKNETHY-HZPDHXFCSA-N 1 0 315.461 2.385 50 0 DEAARO O[C@@H](C[NH+]1CCC(COc2ccccn2)CC1)C(F)(F)F ZINC000195564310 356258227 /nfs/dbraw/zinc/25/82/27/356258227.db2.gz OOYXIRSEOBASFT-LBPRGKRZSA-N 1 0 304.312 2.096 50 0 DEAARO Cc1ccc(CCNC(=O)N(C)CC2([NH+](C)C)CCC2)cn1 ZINC000195572558 356258951 /nfs/dbraw/zinc/25/89/51/356258951.db2.gz VFKIYUAGLWIECE-UHFFFAOYSA-N 1 0 304.438 2.058 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000229555650 356282151 /nfs/dbraw/zinc/28/21/51/356282151.db2.gz FTIYZTMFHQFEDR-RCCFBDPRSA-N 1 0 320.408 2.334 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1noc(CC(C)C)n1 ZINC000229555599 356282399 /nfs/dbraw/zinc/28/23/99/356282399.db2.gz HEMNDIAKECCZFP-LSDHHAIUSA-N 1 0 320.437 2.243 50 0 DEAARO C[NH+](C)CCCNC(=O)c1cc(C(=O)c2ccc(F)cc2)c[nH]1 ZINC000005674764 181270716 /nfs/dbraw/zinc/27/07/16/181270716.db2.gz LBBDDTWPDCMTDV-UHFFFAOYSA-N 1 0 317.364 2.066 50 0 DEAARO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000237101681 202153985 /nfs/dbraw/zinc/15/39/85/202153985.db2.gz YFESTBHXCGXKAV-CQSZACIVSA-N 1 0 300.406 2.045 50 0 DEAARO CC(C)[C@H]([NH2+]CC(=O)N1CCCCC1)[C@@H](O)c1ccccc1 ZINC000390834631 356711200 /nfs/dbraw/zinc/71/12/00/356711200.db2.gz JLESNJIVHSFKKF-ROUUACIJSA-N 1 0 304.434 2.347 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OC)c(F)c2)C1 ZINC000237194449 202184515 /nfs/dbraw/zinc/18/45/15/202184515.db2.gz DOXZNCGPGLSMPZ-OWNNVSBGSA-N 1 0 306.381 2.306 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 ZINC000237174297 202177703 /nfs/dbraw/zinc/17/77/03/202177703.db2.gz IXWVRCUKYWHVNW-ZDUSSCGKSA-N 1 0 310.825 2.315 50 0 DEAARO CN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCC[NH2+]1 ZINC000237247289 202203761 /nfs/dbraw/zinc/20/37/61/202203761.db2.gz JZDOOGNIWOZNGE-GFCCVEGCSA-N 1 0 315.186 2.299 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 ZINC000237259228 202207872 /nfs/dbraw/zinc/20/78/72/202207872.db2.gz HXTAFLYZUFUANC-HNNXBMFYSA-N 1 0 312.417 2.252 50 0 DEAARO Cc1c(C[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)C2)cnn1C ZINC000584888505 357325703 /nfs/dbraw/zinc/32/57/03/357325703.db2.gz AIMNPDUHPZUSMM-KRWDZBQOSA-N 1 0 312.417 2.009 50 0 DEAARO CCc1cc(N2CC[NH+](C3CSCCSC3)CC2)ncn1 ZINC000584900827 357330765 /nfs/dbraw/zinc/33/07/65/357330765.db2.gz DEQDPDZEZFSCDU-UHFFFAOYSA-N 1 0 324.519 2.010 50 0 DEAARO Cc1cc(=O)cc(C(=O)NCC2([NH+]3CCCC3)CCCCC2)[nH]1 ZINC000584903496 357331356 /nfs/dbraw/zinc/33/13/56/357331356.db2.gz YQFCKAWYSHTEEV-UHFFFAOYSA-N 1 0 317.433 2.212 50 0 DEAARO C[C@@H](CS(C)(=O)=O)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000584902647 357331503 /nfs/dbraw/zinc/33/15/03/357331503.db2.gz ULHMEUDXIAOOHE-LBPRGKRZSA-N 1 0 324.471 2.375 50 0 DEAARO CC[N@H+](C)C1(Cn2cnc3cccnc3c2=O)CCCCC1 ZINC000584902114 357331581 /nfs/dbraw/zinc/33/15/81/357331581.db2.gz KXGUGBFBSMEGOD-UHFFFAOYSA-N 1 0 300.406 2.446 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000178538167 198884686 /nfs/dbraw/zinc/88/46/86/198884686.db2.gz ZANDAMTYNAQRJI-CQSZACIVSA-N 1 0 311.385 2.081 50 0 DEAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657420830 540305927 /nfs/dbraw/zinc/30/59/27/540305927.db2.gz BEZJRCIGYKHJHX-VXGBXAGGSA-N 1 0 316.323 2.431 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)[C@@H]1C[NH3+] ZINC000237430008 202263498 /nfs/dbraw/zinc/26/34/98/202263498.db2.gz NKUHRIJPJKYWSE-ZWNOBZJWSA-N 1 0 304.419 2.338 50 0 DEAARO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000237879671 202377864 /nfs/dbraw/zinc/37/78/64/202377864.db2.gz MAGHUEVQSKSUDX-ZBFHGGJFSA-N 1 0 312.417 2.396 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)C1 ZINC000237917281 202390180 /nfs/dbraw/zinc/39/01/80/202390180.db2.gz KXJVBRKRTRQFCX-AWEZNQCLSA-N 1 0 310.401 2.008 50 0 DEAARO Cn1cncc1C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000237924646 202393457 /nfs/dbraw/zinc/39/34/57/202393457.db2.gz SEXZZFZUWLSULE-UHFFFAOYSA-N 1 0 303.381 2.397 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000238036793 202425449 /nfs/dbraw/zinc/42/54/49/202425449.db2.gz XABCOSBEIBZXQA-SNVBAGLBSA-N 1 0 303.189 2.322 50 0 DEAARO O[C@]1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCSC1 ZINC000189266856 200371928 /nfs/dbraw/zinc/37/19/28/200371928.db2.gz DDHHOOIHUIBSLR-INIZCTEOSA-N 1 0 321.421 2.028 50 0 DEAARO CCOC(=O)c1ccc(NC(=O)C23CCC[NH+]2CCC3)c(O)c1 ZINC000281249994 216184298 /nfs/dbraw/zinc/18/42/98/216184298.db2.gz OFJHJMRPCYCERQ-UHFFFAOYSA-N 1 0 318.373 2.136 50 0 DEAARO C[N@H+](CC(=O)NCCc1nc2ccccc2o1)C1CCCC1 ZINC000670448374 540934981 /nfs/dbraw/zinc/93/49/81/540934981.db2.gz MMIQNNIBATZWQI-UHFFFAOYSA-N 1 0 301.390 2.361 50 0 DEAARO CC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)c2cc(C)sc2C)C1 ZINC000670453395 540935475 /nfs/dbraw/zinc/93/54/75/540935475.db2.gz ISDYBQIKCMMMRZ-CYBMUJFWSA-N 1 0 316.492 2.327 50 0 DEAARO CNC(=O)C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000670466078 540937856 /nfs/dbraw/zinc/93/78/56/540937856.db2.gz ZMXIWPURWNGNHX-OAHLLOKOSA-N 1 0 312.417 2.139 50 0 DEAARO Cc1nc2c(c(=O)[nH]1)CN(C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000670473402 540938825 /nfs/dbraw/zinc/93/88/25/540938825.db2.gz DSRZOHVGGBBNER-UHFFFAOYSA-N 1 0 324.428 2.471 50 0 DEAARO CC[NH+](CC)CCCNc1ncnc2c1c(C)c(C)n2CCO ZINC000006660384 181366827 /nfs/dbraw/zinc/36/68/27/181366827.db2.gz KAGAAEKSRCWLEA-UHFFFAOYSA-N 1 0 319.453 2.184 50 0 DEAARO CC(C)c1noc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n1 ZINC000091380760 193048382 /nfs/dbraw/zinc/04/83/82/193048382.db2.gz HNEXCVMUYLOTNA-LSDHHAIUSA-N 1 0 304.438 2.499 50 0 DEAARO Cc1c[nH]c(C[NH+]2CCC(c3nccn3C)CC2)c(C)c1=O ZINC000091602427 193078922 /nfs/dbraw/zinc/07/89/22/193078922.db2.gz UXDCRAXAZRVUSP-UHFFFAOYSA-N 1 0 300.406 2.105 50 0 DEAARO [NH3+][C@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@@H]1c1ccccc1 ZINC000091656196 193085956 /nfs/dbraw/zinc/08/59/56/193085956.db2.gz XVNCFHKKLCQDDF-KGLIPLIRSA-N 1 0 319.792 2.214 50 0 DEAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)C1CC1)C2 ZINC000091933104 193128605 /nfs/dbraw/zinc/12/86/05/193128605.db2.gz SGIYBIGSXKFLNF-DZGCQCFKSA-N 1 0 303.406 2.124 50 0 DEAARO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)n1 ZINC000091952349 193131354 /nfs/dbraw/zinc/13/13/54/193131354.db2.gz NZXMOHCQUJCWMK-UHFFFAOYSA-N 1 0 305.422 2.174 50 0 DEAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccncc1 ZINC000095979843 193473812 /nfs/dbraw/zinc/47/38/12/193473812.db2.gz IAFXHIYNLPFGIM-CZUORRHYSA-N 1 0 305.422 2.052 50 0 DEAARO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000096013690 193490661 /nfs/dbraw/zinc/49/06/61/193490661.db2.gz WZDIKYJFLOIKQS-MJBXVCDLSA-N 1 0 311.470 2.059 50 0 DEAARO COCC[NH2+]CC[C@H]1CCC(=O)N1CCc1cccc(Cl)c1 ZINC000012456256 181764688 /nfs/dbraw/zinc/76/46/88/181764688.db2.gz DEHDTDWWBSJADE-MRXNPFEDSA-N 1 0 324.852 2.500 50 0 DEAARO COc1ccc(O[C@@H](C)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013670576 181876248 /nfs/dbraw/zinc/87/62/48/181876248.db2.gz IKCGVQHTXVAYML-AWEZNQCLSA-N 1 0 306.406 2.065 50 0 DEAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc[n+]([O-])cc1 ZINC000015075020 181987171 /nfs/dbraw/zinc/98/71/71/181987171.db2.gz DGDGWMFKDYUIGO-KRWDZBQOSA-N 1 0 317.433 2.095 50 0 DEAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000017052282 182070812 /nfs/dbraw/zinc/07/08/12/182070812.db2.gz ZGITYRGWNAXOBE-GFCCVEGCSA-N 1 0 313.195 2.156 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC000019218128 182108262 /nfs/dbraw/zinc/10/82/62/182108262.db2.gz YCLKWVCWITWWAT-AWEZNQCLSA-N 1 0 321.509 2.343 50 0 DEAARO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1Br ZINC000160654648 197429191 /nfs/dbraw/zinc/42/91/91/197429191.db2.gz JPQVNRYUPNYOCV-LLVKDONJSA-N 1 0 311.223 2.439 50 0 DEAARO O=C(COc1ccccc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019787901 182148127 /nfs/dbraw/zinc/14/81/27/182148127.db2.gz LPOBNCVBSGLGFD-LZLYRXPVSA-N 1 0 314.429 2.398 50 0 DEAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000020102904 182186917 /nfs/dbraw/zinc/18/69/17/182186917.db2.gz GSXYZLGCUOPKTP-UHFFFAOYSA-N 1 0 302.418 2.066 50 0 DEAARO C[N@@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccccc3)s2)C1 ZINC000020385441 182213414 /nfs/dbraw/zinc/21/34/14/182213414.db2.gz UURRVNXUXYXBJE-CYBMUJFWSA-N 1 0 301.415 2.378 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000097681685 193746853 /nfs/dbraw/zinc/74/68/53/193746853.db2.gz DZBMINILNJTPJO-UWVGGRQHSA-N 1 0 301.749 2.170 50 0 DEAARO COC(=O)c1ccc(-c2ccc(C[NH2+]CCN(C)C)o2)cc1 ZINC000020661034 182242099 /nfs/dbraw/zinc/24/20/99/182242099.db2.gz XOBVFJYBSIDYPR-UHFFFAOYSA-N 1 0 302.374 2.384 50 0 DEAARO CC[NH+](CC)CCCNC(=O)CN1CCSc2ccccc21 ZINC000021093538 182264570 /nfs/dbraw/zinc/26/45/70/182264570.db2.gz DXJKYUCMURWXES-UHFFFAOYSA-N 1 0 321.490 2.447 50 0 DEAARO CC(=O)Nc1ccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000022025347 182304677 /nfs/dbraw/zinc/30/46/77/182304677.db2.gz QXBTWVWXUCAWPR-SFHVURJKSA-N 1 0 319.449 2.091 50 0 DEAARO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)c1cccs1 ZINC000022029664 182305770 /nfs/dbraw/zinc/30/57/70/182305770.db2.gz ZUTTXFHZQYLQCD-ZBFHGGJFSA-N 1 0 320.458 2.380 50 0 DEAARO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)NC(C)C)CC1 ZINC000022778378 182334413 /nfs/dbraw/zinc/33/44/13/182334413.db2.gz IXGHCLYRNGKYKB-INIZCTEOSA-N 1 0 303.450 2.026 50 0 DEAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000022875180 182339033 /nfs/dbraw/zinc/33/90/33/182339033.db2.gz QKAUEQWQCGNHQT-CYBMUJFWSA-N 1 0 310.825 2.062 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2c(F)cccc2F)CC1 ZINC000023127919 182349467 /nfs/dbraw/zinc/34/94/67/182349467.db2.gz GJUAVESOCPMRTC-UHFFFAOYSA-N 1 0 312.360 2.053 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1cccs1 ZINC000040497455 183081668 /nfs/dbraw/zinc/08/16/68/183081668.db2.gz RFKDSMVVWCTDTF-CYBMUJFWSA-N 1 0 304.419 2.381 50 0 DEAARO CN(C)c1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccn1 ZINC000040535393 183095141 /nfs/dbraw/zinc/09/51/41/183095141.db2.gz AWWIHKLRJGNZFV-ZDUSSCGKSA-N 1 0 318.446 2.242 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000040598167 183107345 /nfs/dbraw/zinc/10/73/45/183107345.db2.gz KYAGBYGSBXRDKS-SNVBAGLBSA-N 1 0 320.817 2.099 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(Br)s1 ZINC000493454805 249297862 /nfs/dbraw/zinc/29/78/62/249297862.db2.gz CCSFOJMARPLATG-XTULLQBASA-N 1 0 315.236 2.474 50 0 DEAARO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1OC ZINC000042227388 183244786 /nfs/dbraw/zinc/24/47/86/183244786.db2.gz OPZVIXXNFSOEPA-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CC(=O)Nc1nc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000042723292 183301703 /nfs/dbraw/zinc/30/17/03/183301703.db2.gz HBKNILIQPXMZLM-LLVKDONJSA-N 1 0 324.450 2.096 50 0 DEAARO Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n(C)n1 ZINC000043435137 183363342 /nfs/dbraw/zinc/36/33/42/183363342.db2.gz RSHHHJHKMQUETA-CYBMUJFWSA-N 1 0 317.393 2.280 50 0 DEAARO c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncc1-c1nc(C2CC2)no1 ZINC000105903579 194166154 /nfs/dbraw/zinc/16/61/54/194166154.db2.gz MALQVTVHPWYMDG-AWEZNQCLSA-N 1 0 311.389 2.293 50 0 DEAARO CCOc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1OC ZINC000106379872 194204289 /nfs/dbraw/zinc/20/42/89/194204289.db2.gz UAGFZFXMWTZGDU-INIZCTEOSA-N 1 0 320.433 2.047 50 0 DEAARO c1cc2n(n1)C[C@@H](C[NH2+]C[C@H]1CCN(c3ccccc3)C1)CN2 ZINC000106670510 194243058 /nfs/dbraw/zinc/24/30/58/194243058.db2.gz NVNAANUVDAYOEL-CVEARBPZSA-N 1 0 311.433 2.041 50 0 DEAARO CCCc1noc([C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000106781293 194252130 /nfs/dbraw/zinc/25/21/30/194252130.db2.gz LPYAMEPDSAYNCJ-UONOGXRCSA-N 1 0 324.469 2.108 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000110702751 194352248 /nfs/dbraw/zinc/35/22/48/194352248.db2.gz PAWIKOFNWSFJGP-SGIREYDYSA-N 1 0 307.390 2.149 50 0 DEAARO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CN1 ZINC000110910968 194368680 /nfs/dbraw/zinc/36/86/80/194368680.db2.gz PPAXHXGQOSZLTN-JTQLQIEISA-N 1 0 304.724 2.310 50 0 DEAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056156987 184006364 /nfs/dbraw/zinc/00/63/64/184006364.db2.gz ZMALDYGMPLGECW-QWHCGFSZSA-N 1 0 321.421 2.359 50 0 DEAARO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058201273 184086930 /nfs/dbraw/zinc/08/69/30/184086930.db2.gz UZQNSJGOOZGFEN-GDBMZVCRSA-N 1 0 310.463 2.399 50 0 DEAARO COCCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000058214696 184089360 /nfs/dbraw/zinc/08/93/60/184089360.db2.gz MBPQOKGELBXDMX-OAHLLOKOSA-N 1 0 320.433 2.172 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000063159863 184275227 /nfs/dbraw/zinc/27/52/27/184275227.db2.gz SUFPCKTUGDSYSG-UHFFFAOYSA-N 1 0 320.817 2.099 50 0 DEAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000065405611 184338847 /nfs/dbraw/zinc/33/88/47/184338847.db2.gz DUATXUCYMFKUEA-CYBMUJFWSA-N 1 0 314.385 2.053 50 0 DEAARO CC(C)c1ncncc1C(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000065415373 184340659 /nfs/dbraw/zinc/34/06/59/184340659.db2.gz VKJGRYJQMPMBDH-ZIAGYGMSSA-N 1 0 304.438 2.308 50 0 DEAARO CC(C)(C)c1n[nH]cc1CNC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000065463011 184349718 /nfs/dbraw/zinc/34/97/18/184349718.db2.gz XCGPKGTUWZPQKT-GDBMZVCRSA-N 1 0 320.481 2.298 50 0 DEAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000065402328 184337456 /nfs/dbraw/zinc/33/74/56/184337456.db2.gz FQTAFEQVFJERET-GFCCVEGCSA-N 1 0 302.378 2.131 50 0 DEAARO CC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000065404138 184337826 /nfs/dbraw/zinc/33/78/26/184337826.db2.gz XIUCRGBCJJMFTE-UHFFFAOYSA-N 1 0 306.797 2.412 50 0 DEAARO CCc1ncc(C(=O)NC[C@H](c2sccc2C)[NH+](C)C)cn1 ZINC000065404877 184338230 /nfs/dbraw/zinc/33/82/30/184338230.db2.gz UWMKPNNBISIYKP-CYBMUJFWSA-N 1 0 318.446 2.442 50 0 DEAARO O[C@H](COc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000065541128 184363462 /nfs/dbraw/zinc/36/34/62/184363462.db2.gz SBLJHXCEDOPBCC-HNNXBMFYSA-N 1 0 301.390 2.029 50 0 DEAARO Cc1ccccc1OC[C@H](O)CN1CC[NH+](CC(C)C)CC1 ZINC000065550917 184364114 /nfs/dbraw/zinc/36/41/14/184364114.db2.gz CMJWDRHIYXWVPM-QGZVFWFLSA-N 1 0 306.450 2.008 50 0 DEAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)COc1ccccc1 ZINC000065575385 184367942 /nfs/dbraw/zinc/36/79/42/184367942.db2.gz NPKPVCKAZXNKAX-MRXNPFEDSA-N 1 0 324.384 2.001 50 0 DEAARO C[N@H+](CCNC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 ZINC000065495237 184354633 /nfs/dbraw/zinc/35/46/33/184354633.db2.gz QUWKKWYWXKZGOJ-UHFFFAOYSA-N 1 0 318.808 2.350 50 0 DEAARO [NH3+]C[C@@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000065495832 184354768 /nfs/dbraw/zinc/35/47/68/184354768.db2.gz PXIQSGDGQYTMDE-JTQLQIEISA-N 1 0 300.859 2.177 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cccn3)cc1)CN2 ZINC000065623720 184374967 /nfs/dbraw/zinc/37/49/67/184374967.db2.gz ACXMJPLLWAAEQS-INIZCTEOSA-N 1 0 322.416 2.209 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2occc2Br)C1 ZINC000156396817 197110033 /nfs/dbraw/zinc/11/00/33/197110033.db2.gz LXXVLOSEVCATGO-DTWKUNHWSA-N 1 0 301.184 2.242 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)nc21 ZINC000156356550 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50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000095989985 402043589 /nfs/dbraw/zinc/04/35/89/402043589.db2.gz PEFBORFSDDAERD-QGZVFWFLSA-N 1 0 323.481 2.461 50 0 DEAARO c1cc2c(cccc2C[NH2+]C[C@H]2COC3(CCOCC3)O2)[nH]1 ZINC000095991130 402043621 /nfs/dbraw/zinc/04/36/21/402043621.db2.gz GGCOAKLWBJHUHY-AWEZNQCLSA-N 1 0 302.374 2.180 50 0 DEAARO C[C@H](CCc1cccc(F)c1)[N@H+](C)CC(=O)N1CCC(O)CC1 ZINC000096008776 402046436 /nfs/dbraw/zinc/04/64/36/402046436.db2.gz VKODTHFTIBRKOI-CQSZACIVSA-N 1 0 322.424 2.062 50 0 DEAARO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)n1 ZINC000052862410 402047274 /nfs/dbraw/zinc/04/72/74/402047274.db2.gz NEFITRBOSXECHC-ZFWWWQNUSA-N 1 0 305.353 2.430 50 0 DEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000053408787 402055659 /nfs/dbraw/zinc/05/56/59/402055659.db2.gz XDHXNNLRLPEMSQ-AWEZNQCLSA-N 1 0 306.454 2.408 50 0 DEAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000053573797 402057439 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CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CCC2(CC1)OCCO2 ZINC000096446847 402089065 /nfs/dbraw/zinc/08/90/65/402089065.db2.gz MPZFGRQFTITSRP-INIZCTEOSA-N 1 0 324.465 2.299 50 0 DEAARO Cc1cccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000096454794 402090914 /nfs/dbraw/zinc/09/09/14/402090914.db2.gz SSBGJEVYOWUUFZ-MRXNPFEDSA-N 1 0 302.418 2.098 50 0 DEAARO COc1cc(C)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000096466455 402092671 /nfs/dbraw/zinc/09/26/71/402092671.db2.gz IUYKNEQRFZKGAG-OLZOCXBDSA-N 1 0 304.390 2.018 50 0 DEAARO COc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)c(C)n1 ZINC000096471160 402092843 /nfs/dbraw/zinc/09/28/43/402092843.db2.gz UDNSSYAVANEZEV-UHFFFAOYSA-N 1 0 306.410 2.252 50 0 DEAARO O=C(Nc1cnc(C2CC2)nc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000096491431 402096013 /nfs/dbraw/zinc/09/60/13/402096013.db2.gz CKUWLLJEVZFIHD-CYBMUJFWSA-N 1 0 315.421 2.304 50 0 DEAARO CCN(CC)C(=O)C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000096493050 402096331 /nfs/dbraw/zinc/09/63/31/402096331.db2.gz LUGGENGHMFXEKS-ROUUACIJSA-N 1 0 316.445 2.225 50 0 DEAARO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1(C)C ZINC000097034803 402100982 /nfs/dbraw/zinc/10/09/82/402100982.db2.gz XSUUWLSUVMPNPQ-CABCVRRESA-N 1 0 317.495 2.241 50 0 DEAARO O=C(CCc1ccc(O)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000097080070 402104492 /nfs/dbraw/zinc/10/44/92/402104492.db2.gz JJPSEVNGUUAMPS-UHFFFAOYSA-N 1 0 311.385 2.069 50 0 DEAARO Cc1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)no1 ZINC000060058908 402105212 /nfs/dbraw/zinc/10/52/12/402105212.db2.gz QUZQZWRYUFZNGQ-LBPRGKRZSA-N 1 0 308.407 2.147 50 0 DEAARO CC[C@]1(CO)CCC[N@@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000097104100 402107835 /nfs/dbraw/zinc/10/78/35/402107835.db2.gz UOBRKQZTESHAJE-MRXNPFEDSA-N 1 0 304.394 2.159 50 0 DEAARO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncnc4c3cnn4C)C2)c1 ZINC000097200981 402116116 /nfs/dbraw/zinc/11/61/16/402116116.db2.gz VJKCNASHBYJOFI-ZDUSSCGKSA-N 1 0 323.404 2.005 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(Cl)cc1F ZINC000123261734 402118986 /nfs/dbraw/zinc/11/89/86/402118986.db2.gz HKQDDGMGZDHEKZ-VXGBXAGGSA-N 1 0 320.817 2.336 50 0 DEAARO COCCC[N@@H+]1CC[C@@H](CNc2nc3c(s2)c(C)nn3C)C1 ZINC000096165734 402063942 /nfs/dbraw/zinc/06/39/42/402063942.db2.gz OTENFBIHAGUYON-LBPRGKRZSA-N 1 0 323.466 2.109 50 0 DEAARO COCc1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)o1 ZINC000096166610 402064817 /nfs/dbraw/zinc/06/48/17/402064817.db2.gz NYNVTKRJKVMTCH-UHFFFAOYSA-N 1 0 324.446 2.079 50 0 DEAARO OCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)cc[nH+]1 ZINC000065396067 402124772 /nfs/dbraw/zinc/12/47/72/402124772.db2.gz AWVUKVJIIYDNJS-QPJJXVBHSA-N 1 0 309.413 2.409 50 0 DEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000097492541 402126452 /nfs/dbraw/zinc/12/64/52/402126452.db2.gz HUFFCYFXGIAESH-KGLIPLIRSA-N 1 0 302.340 2.202 50 0 DEAARO COCc1cc(C[N@H+](C)CCN2CCCCC2=O)ccc1OC ZINC000097570868 402127576 /nfs/dbraw/zinc/12/75/76/402127576.db2.gz AMYUTVKYGSWYAK-UHFFFAOYSA-N 1 0 320.433 2.286 50 0 DEAARO COc1ccccc1C[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000066894670 402145715 /nfs/dbraw/zinc/14/57/15/402145715.db2.gz KMULSCCOBFZWLG-AWEZNQCLSA-N 1 0 302.418 2.228 50 0 DEAARO Cc1ccn2cc(C(=O)N3CCCC[C@H]3C[NH+](C)C)nc2c1 ZINC000066948129 402147723 /nfs/dbraw/zinc/14/77/23/402147723.db2.gz VHCAUIJMYABNSV-AWEZNQCLSA-N 1 0 300.406 2.199 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000153624186 402157643 /nfs/dbraw/zinc/15/76/43/402157643.db2.gz OTDSWUINVLOVEN-PHIMTYICSA-N 1 0 300.324 2.457 50 0 DEAARO C[NH+]1CCC(Cc2noc(-c3cccc(-n4cnnc4)c3)n2)CC1 ZINC000067946820 402180020 /nfs/dbraw/zinc/18/00/20/402180020.db2.gz QVYIMVMOLDIHMW-UHFFFAOYSA-N 1 0 324.388 2.202 50 0 DEAARO CC(C)([NH3+])C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067964810 402181180 /nfs/dbraw/zinc/18/11/80/402181180.db2.gz IUSIQNFQFQVNDA-UHFFFAOYSA-N 1 0 303.337 2.103 50 0 DEAARO O[C@@H](C[NH2+]Cc1cccc(F)c1)COc1ccc2c(c1)OCO2 ZINC000067976026 402181834 /nfs/dbraw/zinc/18/18/34/402181834.db2.gz UYGUHVUOGMBZGT-AWEZNQCLSA-N 1 0 319.332 2.084 50 0 DEAARO C[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067974626 402181886 /nfs/dbraw/zinc/18/18/86/402181886.db2.gz HKRXQNWXORARPG-VIFPVBQESA-N 1 0 307.300 2.116 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C[C@@H](C)[NH2+]1 ZINC000154160379 402196627 /nfs/dbraw/zinc/19/66/27/402196627.db2.gz UFDXKNONPOOIQL-KFWWJZLASA-N 1 0 318.417 2.067 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC000067560939 402162689 /nfs/dbraw/zinc/16/26/89/402162689.db2.gz XPQHDFVYRIWLCG-AWEZNQCLSA-N 1 0 302.418 2.329 50 0 DEAARO CCOc1ccc(CN2CC[N@H+](CC3CC3)C[C@H]2CCO)cc1 ZINC000104323967 402202839 /nfs/dbraw/zinc/20/28/39/402202839.db2.gz WVJVRIWVCPNCNN-GOSISDBHSA-N 1 0 318.461 2.364 50 0 DEAARO COCC(=O)NC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000067755426 402171873 /nfs/dbraw/zinc/17/18/73/402171873.db2.gz IOYNSIBTLSJSQR-CQSZACIVSA-N 1 0 316.401 2.407 50 0 DEAARO C[C@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067805366 402173602 /nfs/dbraw/zinc/17/36/02/402173602.db2.gz UJKUHMOJMZFIAO-VIFPVBQESA-N 1 0 307.300 2.116 50 0 DEAARO O[C@H](COCc1ccco1)C[N@@H+]1CCOc2ccccc2C1 ZINC000069323146 402218381 /nfs/dbraw/zinc/21/83/81/402218381.db2.gz SMKVLASOWMGRJJ-HNNXBMFYSA-N 1 0 303.358 2.052 50 0 DEAARO CC[C@H]1CN(CCOc2ccccc2C)CC[N@@H+]1C[C@H](C)O ZINC000106908726 402221761 /nfs/dbraw/zinc/22/17/61/402221761.db2.gz PMWIUKHJPSCSNG-IRXDYDNUSA-N 1 0 306.450 2.151 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000069431690 402223544 /nfs/dbraw/zinc/22/35/44/402223544.db2.gz XPORAAVKRUWUQU-JKIFEVAISA-N 1 0 320.481 2.479 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 ZINC000069452747 402224075 /nfs/dbraw/zinc/22/40/75/402224075.db2.gz HTDNNMFPZCYBNS-SNAWJCMRSA-N 1 0 323.462 2.082 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2C1 ZINC000069455127 402224886 /nfs/dbraw/zinc/22/48/86/402224886.db2.gz FHMFRGLMFZBGAE-ZACQAIPSSA-N 1 0 314.429 2.323 50 0 DEAARO CC(C)(C)c1nc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000069463351 402225549 /nfs/dbraw/zinc/22/55/49/402225549.db2.gz ZIWSAMGFANVDMT-LLVKDONJSA-N 1 0 307.463 2.336 50 0 DEAARO C[N@H+](CCC(=O)NC(N)=O)C1CCC(c2ccccc2)CC1 ZINC000069489186 402226469 /nfs/dbraw/zinc/22/64/69/402226469.db2.gz VRLQLMSNHJCBHI-UHFFFAOYSA-N 1 0 303.406 2.230 50 0 DEAARO C[C@@H](CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)[NH+](C)C ZINC000069509338 402227768 /nfs/dbraw/zinc/22/77/68/402227768.db2.gz DDQKSFXGFPALFT-LBPRGKRZSA-N 1 0 315.421 2.226 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccncc1 ZINC000069511848 402227791 /nfs/dbraw/zinc/22/77/91/402227791.db2.gz MZPZXIBUFFKCDQ-IRXDYDNUSA-N 1 0 301.434 2.490 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107220027 402228426 /nfs/dbraw/zinc/22/84/26/402228426.db2.gz DUZSWLWDFSEMDN-ZDUSSCGKSA-N 1 0 314.389 2.198 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000069534718 402230004 /nfs/dbraw/zinc/23/00/04/402230004.db2.gz JQKOMARHAAOXOE-QWHCGFSZSA-N 1 0 305.382 2.056 50 0 DEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc2cc[nH]c2c1 ZINC000069594577 402233710 /nfs/dbraw/zinc/23/37/10/402233710.db2.gz ZBGFOKPXEOGEAO-MRXNPFEDSA-N 1 0 315.417 2.351 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000069632185 402235921 /nfs/dbraw/zinc/23/59/21/402235921.db2.gz GVPNUJRGNBCIQZ-KRWDZBQOSA-N 1 0 318.465 2.452 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069664764 402237663 /nfs/dbraw/zinc/23/76/63/402237663.db2.gz FRDSIDWYKUQNGH-OAHLLOKOSA-N 1 0 308.389 2.081 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000069667781 402238016 /nfs/dbraw/zinc/23/80/16/402238016.db2.gz KOBCCIXLWGCROF-CJNGLKHVSA-N 1 0 322.359 2.144 50 0 DEAARO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)cnn1-c1ccccc1Cl ZINC000125584841 402240262 /nfs/dbraw/zinc/24/02/62/402240262.db2.gz QHLFCXQMYWOAKX-NSHDSACASA-N 1 0 318.808 2.268 50 0 DEAARO CC(C)CCc1nc(CN2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000069773675 402243521 /nfs/dbraw/zinc/24/35/21/402243521.db2.gz RXGQNMVTKFHCPB-CQSZACIVSA-N 1 0 311.495 2.230 50 0 DEAARO Cc1nc(CCC(=O)N2CC[NH2+][C@H](C)C2)oc1-c1ccccc1 ZINC000155087132 402244317 /nfs/dbraw/zinc/24/43/17/402244317.db2.gz SWMIGZXYQCZSRF-CYBMUJFWSA-N 1 0 313.401 2.403 50 0 DEAARO CCc1nc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cs1 ZINC000069815002 402246048 /nfs/dbraw/zinc/24/60/48/402246048.db2.gz GHBAXJXQSVGISA-ZIAGYGMSSA-N 1 0 307.463 2.333 50 0 DEAARO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069900445 402250320 /nfs/dbraw/zinc/25/03/20/402250320.db2.gz VCQPGUPFCRJNBJ-WCQYABFASA-N 1 0 301.365 2.460 50 0 DEAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)[C@@H](C)n1cccn1 ZINC000069902008 402250395 /nfs/dbraw/zinc/25/03/95/402250395.db2.gz RBYCBBYTTIUKKL-GHMZBOCLSA-N 1 0 307.785 2.109 50 0 DEAARO Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000071279006 402272072 /nfs/dbraw/zinc/27/20/72/402272072.db2.gz RFIMKEALVLGLOG-OAHLLOKOSA-N 1 0 306.454 2.053 50 0 DEAARO C[C@H]([NH3+])CC(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000071315094 402272544 /nfs/dbraw/zinc/27/25/44/402272544.db2.gz TVQQDTSBAKZFKD-AWEZNQCLSA-N 1 0 312.417 2.072 50 0 DEAARO CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@@H]1CCCC[C@H]1O ZINC000215273599 402281987 /nfs/dbraw/zinc/28/19/87/402281987.db2.gz MUCKBMIPPMBGGK-IAGOWNOFSA-N 1 0 300.406 2.393 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000071825272 402283534 /nfs/dbraw/zinc/28/35/34/402283534.db2.gz ZWYDCCAAPFNBQQ-HNNXBMFYSA-N 1 0 300.406 2.269 50 0 DEAARO Cn1ccnc1CCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000215603763 402283872 /nfs/dbraw/zinc/28/38/72/402283872.db2.gz YDADWOBLRVPQFT-UHFFFAOYSA-N 1 0 301.390 2.256 50 0 DEAARO Nc1ncccc1C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000215864066 402285205 /nfs/dbraw/zinc/28/52/05/402285205.db2.gz AIDSQCWONVFQQA-UHFFFAOYSA-N 1 0 313.405 2.379 50 0 DEAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1OC ZINC000215855889 402285745 /nfs/dbraw/zinc/28/57/45/402285745.db2.gz QVSABXWIMZYQMW-JTQLQIEISA-N 1 0 314.813 2.314 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N(C/C=C/c2ccccc2)CCCO)C1 ZINC000215993260 402286382 /nfs/dbraw/zinc/28/63/82/402286382.db2.gz DXFFKFBIGJJPRH-ACISRZNPSA-N 1 0 302.418 2.038 50 0 DEAARO CCc1ccc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000216238607 402287568 /nfs/dbraw/zinc/28/75/68/402287568.db2.gz OGVQCSFVPKYOFL-INIZCTEOSA-N 1 0 306.406 2.055 50 0 DEAARO Cc1cc(C[C@@H](C)NC(=O)C2([NH+]3CCCC3)CCCC2)[nH]n1 ZINC000219760012 402299124 /nfs/dbraw/zinc/29/91/24/402299124.db2.gz MUNWLPUXTQNGAO-CYBMUJFWSA-N 1 0 304.438 2.174 50 0 DEAARO Nc1ccnc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000219819921 402299548 /nfs/dbraw/zinc/29/95/48/402299548.db2.gz GTUQJLROIOVZNN-UHFFFAOYSA-N 1 0 324.428 2.101 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2sccc2Cl)C1 ZINC000221377908 402304107 /nfs/dbraw/zinc/30/41/07/402304107.db2.gz WGMHISFEAVAPHY-NSHDSACASA-N 1 0 316.854 2.442 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 ZINC000225408665 402316830 /nfs/dbraw/zinc/31/68/30/402316830.db2.gz 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CO[C@H]1CN(C2CCN(C(=O)C(C)C)CC2)[C@H]1c1ccncc1 ZINC000575554765 406812561 /nfs/dbraw/zinc/81/25/61/406812561.db2.gz UPDHBSDOAANWDW-IRXDYDNUSA-N 1 0 317.433 2.100 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@H](c2cccs2)N(C)C)CC1 ZINC000132379626 196251130 /nfs/dbraw/zinc/25/11/30/196251130.db2.gz OVTIUZVJEMOKCI-YMAMQOFZSA-N 1 0 309.479 2.388 50 0 DEAARO Cc1cc([C@H](C)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)o1 ZINC000239807541 225214591 /nfs/dbraw/zinc/21/45/91/225214591.db2.gz CSVXDDIUCOXBNB-IAOVAPTHSA-N 1 0 320.433 2.058 50 0 DEAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000253370240 225250129 /nfs/dbraw/zinc/25/01/29/225250129.db2.gz OCXZYFWONYZNCG-RDBSUJKOSA-N 1 0 302.484 2.215 50 0 DEAARO c1coc(-c2nnc(CN3CC[NH+](C4CCCC4)CC3)o2)c1 ZINC000045753706 424817354 /nfs/dbraw/zinc/81/73/54/424817354.db2.gz PXUYGYRUYLKGTH-UHFFFAOYSA-N 1 0 302.378 2.390 50 0 DEAARO Cc1nn(C)c(Cl)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045770495 424818062 /nfs/dbraw/zinc/81/80/62/424818062.db2.gz 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C[C@@H]([NH3+])C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000161885915 278303472 /nfs/dbraw/zinc/30/34/72/278303472.db2.gz FMAJHLFATKXZAK-SNVBAGLBSA-N 1 0 311.223 2.286 50 0 DEAARO CC[C@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(=O)OC ZINC000192859960 288035821 /nfs/dbraw/zinc/03/58/21/288035821.db2.gz GMKOHEBGLQDERU-CJNGLKHVSA-N 1 0 305.422 2.148 50 0 DEAARO Cc1cc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)cc(=O)[nH]1 ZINC000055132107 278631225 /nfs/dbraw/zinc/63/12/25/278631225.db2.gz MBMUPVDGPRLRNS-UHFFFAOYSA-N 1 0 319.449 2.410 50 0 DEAARO Cc1[nH+]c(N)nc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1C ZINC000091474423 279088567 /nfs/dbraw/zinc/08/85/67/279088567.db2.gz AYVKMMBLFYNACT-GOSISDBHSA-N 1 0 324.384 2.290 50 0 DEAARO CC[NH2+][C@@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 ZINC000014744271 279508576 /nfs/dbraw/zinc/50/85/76/279508576.db2.gz WVMNORKCUVMJLX-CQSZACIVSA-N 1 0 318.465 2.290 50 0 DEAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000253429213 295249547 /nfs/dbraw/zinc/24/95/47/295249547.db2.gz 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ZINC000534650914 334311945 /nfs/dbraw/zinc/31/19/45/334311945.db2.gz NWTJUYUZNBISTA-INIZCTEOSA-N 1 0 300.406 2.070 50 0 DEAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccccc2F)CC1 ZINC000022999792 337350894 /nfs/dbraw/zinc/35/08/94/337350894.db2.gz HULWKXJJWOMYMH-UHFFFAOYSA-N 1 0 314.426 2.224 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 ZINC000097231040 337382452 /nfs/dbraw/zinc/38/24/52/337382452.db2.gz PKTZSDFROHCWKR-SMDDNHRTSA-N 1 0 302.340 2.466 50 0 DEAARO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000162862209 337383431 /nfs/dbraw/zinc/38/34/31/337383431.db2.gz LMURDAXWRFYRPI-SFHVURJKSA-N 1 0 323.481 2.001 50 0 DEAARO NC(=O)c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245854930 534494349 /nfs/dbraw/zinc/49/43/49/534494349.db2.gz GYEHUVATPHBAMW-GVDBMIGSSA-N 1 0 314.429 2.265 50 0 DEAARO Cc1cccc(-n2cc(CNC(=O)[C@@H]3CCC[NH2+]CC3)cn2)c1 ZINC000299759516 534567415 /nfs/dbraw/zinc/56/74/15/534567415.db2.gz TVRQOVJHXDZORH-MRXNPFEDSA-N 1 0 312.417 2.187 50 0 DEAARO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccccc1OC(F)(F)F ZINC000299790067 534569007 /nfs/dbraw/zinc/56/90/07/534569007.db2.gz BDXISYMSBFTKCS-VIFPVBQESA-N 1 0 303.284 2.459 50 0 DEAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C(=O)NCCCCc1ccccc1)C2 ZINC000426699874 534732828 /nfs/dbraw/zinc/73/28/28/534732828.db2.gz FXGLICOJNFCRKU-FVQHAEBGSA-N 1 0 301.434 2.388 50 0 DEAARO O=S(=O)(c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000239025290 534873266 /nfs/dbraw/zinc/87/32/66/534873266.db2.gz BIVYWNDJPDOSOK-INIZCTEOSA-N 1 0 316.426 2.309 50 0 DEAARO CN1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000056216233 536450416 /nfs/dbraw/zinc/45/04/16/536450416.db2.gz MMZKEXQIZUZBHD-YJBOKZPZSA-N 1 0 309.413 2.426 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000158157063 527347262 /nfs/dbraw/zinc/34/72/62/527347262.db2.gz YGVNPKOVYIHDRB-OAHLLOKOSA-N 1 0 306.381 2.316 50 0 DEAARO C[NH2+]C[C@H](O)CN(C)C(=O)c1ccccc1Nc1ccccc1 ZINC000888096733 635533889 /nfs/dbraw/zinc/53/38/89/635533889.db2.gz OKFQYRFDWLXLEL-HNNXBMFYSA-N 1 0 313.401 2.083 50 0 DEAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCCCC1 ZINC000011816428 635783027 /nfs/dbraw/zinc/78/30/27/635783027.db2.gz GKSBTCRBQHGOHU-LJQANCHMSA-N 1 0 316.445 2.069 50 0 DEAARO Cn1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)cn1 ZINC000011998403 635936144 /nfs/dbraw/zinc/93/61/44/635936144.db2.gz JYMJQSQNVZXODJ-IEZWGBDMSA-N 1 0 322.412 2.363 50 0 DEAARO Cc1n[nH]c(C)c1CCN(C)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426500019 636338395 /nfs/dbraw/zinc/33/83/95/636338395.db2.gz AQTBOLUAWOFGNV-HNNXBMFYSA-N 1 0 321.469 2.085 50 0 DEAARO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1F ZINC000895503803 638055251 /nfs/dbraw/zinc/05/52/51/638055251.db2.gz COGXFQNVFGKACI-REJLFOLJSA-N 1 0 322.380 2.483 50 0 DEAARO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000045096749 646460370 /nfs/dbraw/zinc/46/03/70/646460370.db2.gz YJERUOFHTXKYPS-OAHLLOKOSA-N 1 0 308.809 2.462 50 0 DEAARO O=C([C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1)N1CCCCC1 ZINC000014533452 683848598 /nfs/dbraw/zinc/84/85/98/683848598.db2.gz YQJVPJOUXAXKDO-LSDHHAIUSA-N 1 0 320.408 2.443 50 0 DEAARO CC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014745799 683848690 /nfs/dbraw/zinc/84/86/90/683848690.db2.gz ZRYPGZAVQBIBDP-CQSZACIVSA-N 1 0 318.465 2.242 50 0 DEAARO O=C(NCc1cnn2ccccc12)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072128090 683927363 /nfs/dbraw/zinc/92/73/63/683927363.db2.gz AXBGCEGYNQAOLE-INIZCTEOSA-N 1 0 320.396 2.341 50 0 DEAARO Cn1ccnc1CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000105876347 684059732 /nfs/dbraw/zinc/05/97/32/684059732.db2.gz RFUSHMMYUSTAFT-GOSISDBHSA-N 1 0 313.445 2.278 50 0 DEAARO CC[N@H+](CC(C)(C)O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000158174657 684296736 /nfs/dbraw/zinc/29/67/36/684296736.db2.gz RAWNBXLAMJPNNK-HNNXBMFYSA-N 1 0 308.397 2.414 50 0 DEAARO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000189250391 684376691 /nfs/dbraw/zinc/37/66/91/684376691.db2.gz XDVLLIIPFSOPDL-GOSISDBHSA-N 1 0 314.429 2.467 50 0 DEAARO Cc1nc(CO[C@H]2CCC[N@H+](Cc3ccc(C)cn3)C2)no1 ZINC000675015886 778335269 /nfs/dbraw/zinc/33/52/69/778335269.db2.gz ASIKSKYMJCUBNJ-HNNXBMFYSA-N 1 0 302.378 2.263 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccon3)C2)o1 ZINC000825198113 783619926 /nfs/dbraw/zinc/61/99/26/783619926.db2.gz XLDGBADRKKOBGK-CYBMUJFWSA-N 1 0 303.362 2.218 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)CCCc1cccs1 ZINC000828025717 783727051 /nfs/dbraw/zinc/72/70/51/783727051.db2.gz QPJAFWRCKMHINR-UHFFFAOYSA-N 1 0 303.431 2.424 50 0 DEAARO CC(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000581807930 784786508 /nfs/dbraw/zinc/78/65/08/784786508.db2.gz TUWWXEHBEPLPQD-OAHLLOKOSA-N 1 0 305.422 2.344 50 0 DEAARO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](OC)CC1 ZINC000952847792 792776125 /nfs/dbraw/zinc/77/61/25/792776125.db2.gz DBWBPWCTWYSEQC-DOTOQJQBSA-N 1 0 319.449 2.459 50 0 DEAARO NC(=O)c1ccc(NCC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000952872764 792790376 /nfs/dbraw/zinc/79/03/76/792790376.db2.gz SVBWDWOKAINIEG-UHFFFAOYSA-N 1 0 302.422 2.247 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1nccc2ccccc21 ZINC000952874845 792790820 /nfs/dbraw/zinc/79/08/20/792790820.db2.gz BXTQPKXWJXVDSC-JSGCOSHPSA-N 1 0 304.415 2.463 50 0 DEAARO CN(C)c1ncc(C[NH2+]CCOc2cccc3cccnc32)cn1 ZINC000952963973 792812232 /nfs/dbraw/zinc/81/22/32/792812232.db2.gz LNROJXQKELKINO-UHFFFAOYSA-N 1 0 323.400 2.259 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCC1(O)C2CC3CC(C2)CC1C3 ZINC000952985117 792864675 /nfs/dbraw/zinc/86/46/75/792864675.db2.gz BVTYWMDVZVQYRK-CMPFZWEDSA-N 1 0 320.477 2.164 50 0 DEAARO OC[C@@]1(Cc2ccccc2)C[N@H+](Cc2ccoc2)CC[C@@H]1O ZINC001529090926 1070845284 /nfs/dbraw/zinc/84/52/84/1070845284.db2.gz KNHIXYOFLMMVNM-ZWKOTPCHSA-N 1 0 301.386 2.068 50 0 DEAARO CCc1cc(N[C@@H](C)Cn2cccn2)nc(N2CCCC2)[nH+]1 ZINC001529101103 1070855686 /nfs/dbraw/zinc/85/56/86/1070855686.db2.gz ALABJPPIRZPUPU-ZDUSSCGKSA-N 1 0 300.410 2.336 50 0 DEAARO C[NH+](C)CCc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)s1 ZINC001529146453 1070881123 /nfs/dbraw/zinc/88/11/23/1070881123.db2.gz OZSKKOZFZFLXBI-QWHCGFSZSA-N 1 0 316.430 2.384 50 0 DEAARO Cn1cc(Cl)cc1C(=O)Nc1ccnn1C1CC[NH+](C)CC1 ZINC001529159399 1070890428 /nfs/dbraw/zinc/89/04/28/1070890428.db2.gz PTJDKILAFJFUOF-UHFFFAOYSA-N 1 0 321.812 2.394 50 0 DEAARO C[C@H]1CCC(=O)N1c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC001506397184 1061935904 /nfs/dbraw/zinc/93/59/04/1061935904.db2.gz QSMOURWKALEPQL-LBPRGKRZSA-N 1 0 301.390 2.140 50 0 DEAARO Cc1ccc(OCCN2CCC[C@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415702 1061960990 /nfs/dbraw/zinc/96/09/90/1061960990.db2.gz BTQRSCLFNPVLMX-IBGZPJMESA-N 1 0 320.477 2.318 50 0 DEAARO Cc1c[nH]c([C@@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC001506418757 1061964856 /nfs/dbraw/zinc/96/48/56/1061964856.db2.gz SNDNSLWXRUHFNK-CYBMUJFWSA-N 1 0 313.405 2.069 50 0 DEAARO C[C@@H](CC(N)=O)[N@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC001506421832 1061966366 /nfs/dbraw/zinc/96/63/66/1061966366.db2.gz WENLVQHVSDHXCQ-VIFPVBQESA-N 1 0 307.781 2.290 50 0 DEAARO CC(C)[NH+]1CCC(CNc2cccc(C(=O)N(C)C)n2)CC1 ZINC000821740438 1090605929 /nfs/dbraw/zinc/60/59/29/1090605929.db2.gz FWKTUSRSEKBUNP-UHFFFAOYSA-N 1 0 304.438 2.316 50 0 DEAARO CC[C@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1nc(C)c[nH]1 ZINC000822650372 1090639999 /nfs/dbraw/zinc/63/99/99/1090639999.db2.gz PTYDDZXCJIGSPC-AWEZNQCLSA-N 1 0 301.394 2.127 50 0 DEAARO Cc1nc[nH]c1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000426701505 282139881 /nfs/dbraw/zinc/13/98/81/282139881.db2.gz XAMAEASGQVPEQP-MRXNPFEDSA-N 1 0 324.428 2.356 50 0 DEAARO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090116005 185282948 /nfs/dbraw/zinc/28/29/48/185282948.db2.gz CYYVANVBRAVMKN-OLZOCXBDSA-N 1 0 324.494 2.425 50 0 DEAARO CCn1cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000090201235 185286699 /nfs/dbraw/zinc/28/66/99/185286699.db2.gz ACFPNVVIZFWBRC-AWEZNQCLSA-N 1 0 308.426 2.392 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000090412184 185295067 /nfs/dbraw/zinc/29/50/67/185295067.db2.gz QFXDLKAFJFWKMR-WCQYABFASA-N 1 0 309.385 2.289 50 0 DEAARO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090726850 185311313 /nfs/dbraw/zinc/31/13/13/185311313.db2.gz ICIOTACAEHQITJ-QWRGUYRKSA-N 1 0 302.465 2.460 50 0 DEAARO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090726852 185311316 /nfs/dbraw/zinc/31/13/16/185311316.db2.gz ICIOTACAEHQITJ-MNOVXSKESA-N 1 0 302.465 2.460 50 0 DEAARO CS[C@H](C)C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000090726858 185311396 /nfs/dbraw/zinc/31/13/96/185311396.db2.gz ICIOTACAEHQITJ-GHMZBOCLSA-N 1 0 302.465 2.460 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000625341561 365737653 /nfs/dbraw/zinc/73/76/53/365737653.db2.gz SGCHLEXHAOBNNW-STQMWFEESA-N 1 0 310.467 2.398 50 0 DEAARO O=C(NCc1csc(C2CC2)n1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000095395570 185352771 /nfs/dbraw/zinc/35/27/71/185352771.db2.gz XCQDCLTWCDDRLJ-NSHDSACASA-N 1 0 320.462 2.304 50 0 DEAARO CN1CCN(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000095410002 185356919 /nfs/dbraw/zinc/35/69/19/185356919.db2.gz CEJCGJISQFJPGI-UHFFFAOYSA-N 1 0 323.440 2.140 50 0 DEAARO COc1cc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)ccc1C ZINC000095426467 185361843 /nfs/dbraw/zinc/36/18/43/185361843.db2.gz QJHKOZGIHGKLHH-QGZVFWFLSA-N 1 0 310.397 2.334 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl ZINC000097002806 185396448 /nfs/dbraw/zinc/39/64/48/185396448.db2.gz SXTUHGNHDSCXOC-NSHDSACASA-N 1 0 320.817 2.242 50 0 DEAARO Nc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000097019522 185398107 /nfs/dbraw/zinc/39/81/07/185398107.db2.gz TTZFTSKUIODTPC-VIFPVBQESA-N 1 0 301.312 2.099 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)CC2 ZINC000097033474 185399597 /nfs/dbraw/zinc/39/95/97/185399597.db2.gz FKJMXTMGISCMPH-DJIMGWMZSA-N 1 0 302.418 2.208 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc2c(c1)CCO2 ZINC000095472317 185372545 /nfs/dbraw/zinc/37/25/45/185372545.db2.gz BKAPTTHKMCFGGT-MRXNPFEDSA-N 1 0 302.418 2.155 50 0 DEAARO Cn1cc(C[NH2+]C[C@@]2(O)CCSC2)c(C2CCCCC2)n1 ZINC000097086598 185408362 /nfs/dbraw/zinc/40/83/62/185408362.db2.gz XAHOIUPTFSBXOH-INIZCTEOSA-N 1 0 309.479 2.425 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)o1 ZINC000097096742 185409110 /nfs/dbraw/zinc/40/91/10/185409110.db2.gz QNYOISGPQFJVAS-LSDHHAIUSA-N 1 0 318.348 2.132 50 0 DEAARO Cc1cccc(C2CC([NH2+]CC3(C(N)=O)CCOCC3)C2)c1 ZINC000097108508 185410964 /nfs/dbraw/zinc/41/09/64/185410964.db2.gz AGTFVDHGZJYTMD-UHFFFAOYSA-N 1 0 302.418 2.113 50 0 DEAARO Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCn4ccnc43)C2=O)cc1 ZINC000084150598 539393090 /nfs/dbraw/zinc/39/30/90/539393090.db2.gz CPSATAICTFQLPE-RDJZCZTQSA-N 1 0 324.428 2.464 50 0 DEAARO O=C(Nc1ccc(CC[NH+]2CCC(O)CC2)cc1)c1ccc[nH]1 ZINC000084338980 539394737 /nfs/dbraw/zinc/39/47/37/539394737.db2.gz UZCBVIKVAYRGDK-UHFFFAOYSA-N 1 0 313.401 2.266 50 0 DEAARO COc1cccc([C@H](CO)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085328982 539399971 /nfs/dbraw/zinc/39/99/71/539399971.db2.gz UHECILDGPLPKEY-JTSKRJEESA-N 1 0 319.426 2.256 50 0 DEAARO CC(=O)N1CCCN([C@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000084714421 539398335 /nfs/dbraw/zinc/39/83/35/539398335.db2.gz AYSRTERLRJGALE-YJBOKZPZSA-N 1 0 307.482 2.051 50 0 DEAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000084810554 539399062 /nfs/dbraw/zinc/39/90/62/539399062.db2.gz OPMQAHURBBTMAP-INIZCTEOSA-N 1 0 320.433 2.442 50 0 DEAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000091373352 539419970 /nfs/dbraw/zinc/41/99/70/539419970.db2.gz VMQKPHYAQBSKET-STQMWFEESA-N 1 0 310.825 2.108 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000228216526 201813645 /nfs/dbraw/zinc/81/36/45/201813645.db2.gz RVLIRMSYIYQULH-YUELXQCFSA-N 1 0 308.809 2.367 50 0 DEAARO CC[N@H+](CC(=O)N(C)Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000179163659 539638920 /nfs/dbraw/zinc/63/89/20/539638920.db2.gz UZLFFBIJILTVRB-UHFFFAOYSA-N 1 0 305.422 2.150 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 ZINC000071143449 190935552 /nfs/dbraw/zinc/93/55/52/190935552.db2.gz CJGNFSGBEUOJIH-GFCCVEGCSA-N 1 0 311.223 2.060 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)N1CCc2ccccc21 ZINC000083927594 192390384 /nfs/dbraw/zinc/39/03/84/192390384.db2.gz JLRQCNHGNAQXHW-ZBFHGGJFSA-N 1 0 324.428 2.328 50 0 DEAARO CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000071754946 191024603 /nfs/dbraw/zinc/02/46/03/191024603.db2.gz COXUEICKUNOYSR-AWEZNQCLSA-N 1 0 317.433 2.449 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000071853894 191032575 /nfs/dbraw/zinc/03/25/75/191032575.db2.gz UEFRQTXLOUYFSG-UHFFFAOYSA-N 1 0 313.401 2.086 50 0 DEAARO Nc1cc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)c2cc[nH]c2n1 ZINC000072147578 191053520 /nfs/dbraw/zinc/05/35/20/191053520.db2.gz GSJATJHLPRFDHX-UHFFFAOYSA-N 1 0 308.385 2.383 50 0 DEAARO COc1ccccc1OC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072148436 191054578 /nfs/dbraw/zinc/05/45/78/191054578.db2.gz MJXMNZHUSGNWSS-UHFFFAOYSA-N 1 0 301.390 2.472 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNc1cc(Cl)c2cc[nH]c2n1 ZINC000072154597 191058730 /nfs/dbraw/zinc/05/87/30/191058730.db2.gz PSGBRKSWQUMPCP-LLVKDONJSA-N 1 0 308.813 2.475 50 0 DEAARO O=C(c1ccncc1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072163697 191064236 /nfs/dbraw/zinc/06/42/36/191064236.db2.gz XFBUIGQMFIJDGW-LJQANCHMSA-N 1 0 321.424 2.397 50 0 DEAARO COc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000147557412 186040851 /nfs/dbraw/zinc/04/08/51/186040851.db2.gz KXKAXSYWLQETCY-JTQLQIEISA-N 1 0 313.195 2.021 50 0 DEAARO O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000150692134 186057485 /nfs/dbraw/zinc/05/74/85/186057485.db2.gz HJKXYMPLTAXZFC-LDYMZIIASA-N 1 0 323.805 2.125 50 0 DEAARO FC(F)(F)[C@@H](Nc1ncnc2c1CC[NH2+]CC2)c1ccccn1 ZINC000072431434 191162813 /nfs/dbraw/zinc/16/28/13/191162813.db2.gz SUCVEISXSVCFNB-ZDUSSCGKSA-N 1 0 323.322 2.275 50 0 DEAARO C[C@H](C1CCN(C(=O)CCc2ccco2)CC1)[NH+]1CCOCC1 ZINC000072422995 191158330 /nfs/dbraw/zinc/15/83/30/191158330.db2.gz FSQSYLANWHOMJU-OAHLLOKOSA-N 1 0 320.433 2.172 50 0 DEAARO Cc1ccc(CN(C)CC(=O)N[C@H]2CC[C@H]2[NH2+]C(C)C)cc1 ZINC000072422769 191158947 /nfs/dbraw/zinc/15/89/47/191158947.db2.gz UOUMSLWXRYTMPK-SJORKVTESA-N 1 0 303.450 2.072 50 0 DEAARO c1coc(-c2nc3c(c(N[C@H]4CCSC4)n2)CC[NH2+]CC3)c1 ZINC000072435782 191166760 /nfs/dbraw/zinc/16/67/60/191166760.db2.gz MIPXHPSTVZITNW-NSHDSACASA-N 1 0 316.430 2.342 50 0 DEAARO COc1ccccc1Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072472919 191175226 /nfs/dbraw/zinc/17/52/26/191175226.db2.gz QHMMXPBVYSHOFZ-UHFFFAOYSA-N 1 0 323.400 2.297 50 0 DEAARO COCCCN(C(=O)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000072473695 191175249 /nfs/dbraw/zinc/17/52/49/191175249.db2.gz HHFOUZNYRAAOTC-UHFFFAOYSA-N 1 0 310.463 2.250 50 0 DEAARO CCOc1ccc(CN(C)C(=S)NCCC[NH+](C)C)cc1 ZINC000003414880 181016836 /nfs/dbraw/zinc/01/68/36/181016836.db2.gz FZRJXZGFQPDEIE-UHFFFAOYSA-N 1 0 309.479 2.343 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185918 181083219 /nfs/dbraw/zinc/08/32/19/181083219.db2.gz KLSDYSGLGFIDTD-HOTGVXAUSA-N 1 0 321.417 2.010 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(C)c2)C1 ZINC000004185917 181083405 /nfs/dbraw/zinc/08/34/05/181083405.db2.gz KLSDYSGLGFIDTD-CVEARBPZSA-N 1 0 321.417 2.010 50 0 DEAARO CC[NH+]1CCN(c2nnc(-c3nnc(C)o3)c3ccccc32)CC1 ZINC000065258116 354680930 /nfs/dbraw/zinc/68/09/30/354680930.db2.gz HELFEPZRGZVZFY-UHFFFAOYSA-N 1 0 324.388 2.130 50 0 DEAARO Cc1oc(C(C)C)nc1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000065293493 354681668 /nfs/dbraw/zinc/68/16/68/354681668.db2.gz BMEYGRKPHZMTGQ-UHFFFAOYSA-N 1 0 323.437 2.337 50 0 DEAARO C[NH+](C)CCCNC(=O)c1cn2ccnc(-c3ccccc3)c2n1 ZINC000065274356 354681680 /nfs/dbraw/zinc/68/16/80/354681680.db2.gz QEAYZDNMBWVQCL-UHFFFAOYSA-N 1 0 323.400 2.078 50 0 DEAARO c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cn3cncn3)cc2)cn1 ZINC000069620989 354870909 /nfs/dbraw/zinc/87/09/09/354870909.db2.gz KTUGQWKFRSSGGU-KRWDZBQOSA-N 1 0 308.389 2.128 50 0 DEAARO O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1ccncc1F ZINC000618256981 363432717 /nfs/dbraw/zinc/43/27/17/363432717.db2.gz NNVHEUDXTUMAHI-LBPRGKRZSA-N 1 0 305.378 2.287 50 0 DEAARO COc1ncccc1C(=O)N[C@H]1CCN(Cc2ccsc2)C1 ZINC000618256992 363433126 /nfs/dbraw/zinc/43/31/26/363433126.db2.gz NXGPSZFZBJMSBB-ZDUSSCGKSA-N 1 0 317.414 2.156 50 0 DEAARO C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000074745484 355046777 /nfs/dbraw/zinc/04/67/77/355046777.db2.gz OZTZLDJOKNJIJC-DOTOQJQBSA-N 1 0 318.465 2.226 50 0 DEAARO O=C1CCCN1C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000097230633 355703051 /nfs/dbraw/zinc/70/30/51/355703051.db2.gz NDNDPYLPTZCMGM-RDJZCZTQSA-N 1 0 302.418 2.366 50 0 DEAARO CN(C)C(=O)OCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000097373629 355703800 /nfs/dbraw/zinc/70/38/00/355703800.db2.gz LCKNXXSRWUDWIU-UHFFFAOYSA-N 1 0 316.405 2.441 50 0 DEAARO OC[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000110692303 355744357 /nfs/dbraw/zinc/74/43/57/355744357.db2.gz ZCLYVVLYFOZDRE-TZMCWYRMSA-N 1 0 317.351 2.313 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H]3CCOC3)C2)c1 ZINC000110659064 355744402 /nfs/dbraw/zinc/74/44/02/355744402.db2.gz MUZVGFCUWPEBPD-CABCVRRESA-N 1 0 320.433 2.251 50 0 DEAARO C[C@@H](CN1CCCCCC1)[NH2+]C[C@H](CO)Cc1ccccn1 ZINC000170606837 355988620 /nfs/dbraw/zinc/98/86/20/355988620.db2.gz ZFNCRHZJRVERTF-DLBZAZTESA-N 1 0 305.466 2.087 50 0 DEAARO Cc1ccc([C@@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1C ZINC000170626884 355989809 /nfs/dbraw/zinc/98/98/09/355989809.db2.gz QSBNGZREEJEADF-IBGZPJMESA-N 1 0 311.425 2.456 50 0 DEAARO Cc1nc(CSCC(=O)NCC[C@H]2CCC[NH2+]C2)cs1 ZINC000170676957 355990760 /nfs/dbraw/zinc/99/07/60/355990760.db2.gz BJVWEBXGGYUPEH-GFCCVEGCSA-N 1 0 313.492 2.191 50 0 DEAARO CNC(=O)C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000179823283 356034082 /nfs/dbraw/zinc/03/40/82/356034082.db2.gz APOYRMHLIRASKH-UHFFFAOYSA-N 1 0 302.418 2.358 50 0 DEAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1 ZINC000178106252 356011565 /nfs/dbraw/zinc/01/15/65/356011565.db2.gz GOFWYGUVZQXIIS-CYBMUJFWSA-N 1 0 314.389 2.259 50 0 DEAARO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)c1ncc[nH]1 ZINC000225631846 356277347 /nfs/dbraw/zinc/27/73/47/356277347.db2.gz DXFIVCUZHTXMRN-ZBFHGGJFSA-N 1 0 300.406 2.134 50 0 DEAARO COCC[NH+](CCOC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000005813315 181285549 /nfs/dbraw/zinc/28/55/49/181285549.db2.gz SUKOPSRYBKLQCF-UHFFFAOYSA-N 1 0 318.417 2.240 50 0 DEAARO Cc1csc(C2([NH2+]CCC(=O)N3CCOCC3)CCCC2)n1 ZINC000081595396 192299277 /nfs/dbraw/zinc/29/92/77/192299277.db2.gz BFNJOPSHXOEZCI-UHFFFAOYSA-N 1 0 323.462 2.059 50 0 DEAARO CCOc1cc2c(cc1OCC)CN(C(=O)CC(C)(C)[NH3+])CC2 ZINC000237068581 202140903 /nfs/dbraw/zinc/14/09/03/202140903.db2.gz WTALMIBPOUNVOZ-UHFFFAOYSA-N 1 0 320.433 2.496 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C1 ZINC000237179305 202179495 /nfs/dbraw/zinc/17/94/95/202179495.db2.gz WJAACCVANRIHTM-INIZCTEOSA-N 1 0 320.481 2.156 50 0 DEAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000584899819 357330411 /nfs/dbraw/zinc/33/04/11/357330411.db2.gz QVZLYFBWQUUKED-UHFFFAOYSA-N 1 0 314.433 2.481 50 0 DEAARO Cc1ccccc1OCCNC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000584900626 357330420 /nfs/dbraw/zinc/33/04/20/357330420.db2.gz UCBLUZZKBBHYJV-MRXNPFEDSA-N 1 0 319.449 2.500 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000585137165 357337368 /nfs/dbraw/zinc/33/73/68/357337368.db2.gz KVXRWYZTKPYVKN-OAHLLOKOSA-N 1 0 311.813 2.260 50 0 DEAARO CC[C@@H](C)N(CCO)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000585137274 357338055 /nfs/dbraw/zinc/33/80/55/357338055.db2.gz QAXODWBXCOHPKY-WBVHZDCISA-N 1 0 319.449 2.063 50 0 DEAARO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000237353851 202241962 /nfs/dbraw/zinc/24/19/62/202241962.db2.gz ITXDKTFDKMDQPY-KJEVXHAQSA-N 1 0 308.809 2.142 50 0 DEAARO CNC(=O)[C@@H]1C[C@H]([NH2+]CC2=CC[C@H]3C[C@@H]2C3(C)C)CN1C(C)C ZINC000023361568 283418626 /nfs/dbraw/zinc/41/86/26/283418626.db2.gz CPUZSHHXWYYHJZ-QAETUUGQSA-N 1 0 319.493 2.166 50 0 DEAARO 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301.365 2.488 50 0 DEAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000007728078 181490564 /nfs/dbraw/zinc/49/05/64/181490564.db2.gz XZTPOELGVIDQHN-UHFFFAOYSA-N 1 0 302.827 2.104 50 0 DEAARO CC[C@@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000095372984 193435545 /nfs/dbraw/zinc/43/55/45/193435545.db2.gz GKCUETZYMWCABT-MRXNPFEDSA-N 1 0 306.454 2.498 50 0 DEAARO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988209 193479737 /nfs/dbraw/zinc/47/97/37/193479737.db2.gz JFKNJCLWXUNKFM-LSDHHAIUSA-N 1 0 312.454 2.299 50 0 DEAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000008266578 181541781 /nfs/dbraw/zinc/54/17/81/181541781.db2.gz DEESLUCJZOYXNB-ZIAGYGMSSA-N 1 0 319.405 2.118 50 0 DEAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1ccc(-n2cccn2)cc1 ZINC000012327496 181750591 /nfs/dbraw/zinc/75/05/91/181750591.db2.gz RSBWYMZGXBISIN-INIZCTEOSA-N 1 0 312.417 2.363 50 0 DEAARO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1COc2ccccc2C1 ZINC000015787246 182018137 /nfs/dbraw/zinc/01/81/37/182018137.db2.gz 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ZINC000057258382 184030910 /nfs/dbraw/zinc/03/09/10/184030910.db2.gz YVBNGUMILWZZJO-UHFFFAOYSA-N 1 0 319.405 2.357 50 0 DEAARO Cn1cc(C[NH2+]CC2(O)CCCCC2)c(-c2cccnc2)n1 ZINC000060366858 184146981 /nfs/dbraw/zinc/14/69/81/184146981.db2.gz DSLVJAZKZNUABK-UHFFFAOYSA-N 1 0 300.406 2.267 50 0 DEAARO CC(C)c1noc(CCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000060573253 184152368 /nfs/dbraw/zinc/15/23/68/184152368.db2.gz RROLNZVIBPUCJG-KBPBESRZSA-N 1 0 320.437 2.259 50 0 DEAARO CN(Cc1ccccc1Br)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062894421 184258848 /nfs/dbraw/zinc/25/88/48/184258848.db2.gz GKGPFCIAAQITNT-AWEZNQCLSA-N 1 0 311.223 2.407 50 0 DEAARO CCn1cc(CC(=O)N2CC[NH+](C(C)C)CC2)c2cccnc21 ZINC000065155866 184312710 /nfs/dbraw/zinc/31/27/10/184312710.db2.gz AGIRTWRNIVEYRQ-UHFFFAOYSA-N 1 0 314.433 2.151 50 0 DEAARO O[C@@H]1C[N@H+](Cc2ccncc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065373744 184330608 /nfs/dbraw/zinc/33/06/08/184330608.db2.gz UFHPRQUWTJSRFA-JKSUJKDBSA-N 1 0 312.369 2.161 50 0 DEAARO CCc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000065408030 184339283 /nfs/dbraw/zinc/33/92/83/184339283.db2.gz GAIBPNLPUGQPNT-QGZVFWFLSA-N 1 0 324.428 2.386 50 0 DEAARO COCC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000065440620 184345484 /nfs/dbraw/zinc/34/54/84/184345484.db2.gz FOZMUYKPPJJZDE-ZDUSSCGKSA-N 1 0 311.451 2.173 50 0 DEAARO CC(=O)c1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000065459677 184348574 /nfs/dbraw/zinc/34/85/74/184348574.db2.gz DXLAUUUGGMZXIA-OAHLLOKOSA-N 1 0 318.417 2.455 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000065475122 184352158 /nfs/dbraw/zinc/35/21/58/184352158.db2.gz GXWUJAUUIVOLNK-CQSZACIVSA-N 1 0 306.454 2.408 50 0 DEAARO Cc1ccc([C@H](C)CC[NH+]2CCC(NS(C)(=O)=O)CC2)o1 ZINC000065491404 184353420 /nfs/dbraw/zinc/35/34/20/184353420.db2.gz PPWOAKFRISHCAK-GFCCVEGCSA-N 1 0 314.451 2.095 50 0 DEAARO CCOC(=O)N1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000065405522 184338100 /nfs/dbraw/zinc/33/81/00/184338100.db2.gz PJQQYTSAOZHBQT-UHFFFAOYSA-N 1 0 317.433 2.260 50 0 DEAARO C[NH+]1CCN(CCNC(=O)/C=C/c2cccc3ccccc23)CC1 ZINC000065562161 184365868 /nfs/dbraw/zinc/36/58/68/184365868.db2.gz NRMDSQDPBLSWJW-MDZDMXLPSA-N 1 0 323.440 2.217 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000065623341 184375045 /nfs/dbraw/zinc/37/50/45/184375045.db2.gz OAWMCWGCNFDQOY-CQSZACIVSA-N 1 0 315.417 2.174 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065625627 184375343 /nfs/dbraw/zinc/37/53/43/184375343.db2.gz LXQMBOZLCZQBNE-HNNXBMFYSA-N 1 0 312.417 2.297 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)C[C@@H](C)c1ccccc1F ZINC000065624543 184375650 /nfs/dbraw/zinc/37/56/50/184375650.db2.gz LVVBISNYBOGYNB-CQSZACIVSA-N 1 0 310.413 2.404 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]CCC(=O)N[C@H](C)c1ccccc1 ZINC000069387565 184511776 /nfs/dbraw/zinc/51/17/76/184511776.db2.gz MKRQBNYLZZEYLM-HUUCEWRRSA-N 1 0 300.406 2.129 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000158360652 197265667 /nfs/dbraw/zinc/26/56/67/197265667.db2.gz JKWKERDAYBARIF-LBPRGKRZSA-N 1 0 316.323 2.468 50 0 DEAARO CC(C)Nc1ncccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000290091254 221411997 /nfs/dbraw/zinc/41/19/97/221411997.db2.gz XDNNRSUIEWLGOB-QGZVFWFLSA-N 1 0 302.422 2.118 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000521394648 257241044 /nfs/dbraw/zinc/24/10/44/257241044.db2.gz SQCGNJBWTGJDHC-WFASDCNBSA-N 1 0 306.454 2.037 50 0 DEAARO CC(=O)O[C@H](c1nc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000071790442 184841774 /nfs/dbraw/zinc/84/17/74/184841774.db2.gz DTIFIXAOCRLHHS-AWEZNQCLSA-N 1 0 301.346 2.189 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245338879 533361069 /nfs/dbraw/zinc/36/10/69/533361069.db2.gz PAWIKOFNWSFJGP-DIOULYMOSA-N 1 0 307.390 2.149 50 0 DEAARO COc1cc(C)c(C[NH2+]C[C@@H](C)N2CCOC[C@H]2C)cc1OC ZINC000245343906 533572600 /nfs/dbraw/zinc/57/26/00/533572600.db2.gz WKLVOIPHBZQCPR-HUUCEWRRSA-N 1 0 322.449 2.211 50 0 DEAARO Cc1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)[nH]n1 ZINC000039420667 132135995 /nfs/dbraw/zinc/13/59/95/132135995.db2.gz LQLJRFDFTOUIGJ-GOSISDBHSA-N 1 0 320.481 2.167 50 0 DEAARO CC(C)([NH3+])CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000261705933 145218467 /nfs/dbraw/zinc/21/84/67/145218467.db2.gz ILFZDQSHIQKDNA-CXAGYDPISA-N 1 0 304.438 2.113 50 0 DEAARO Cc1ccc2c(CSc3nc(N)cc(N)[nH+]3)cc(=O)oc2c1 ZINC000003524868 401724889 /nfs/dbraw/zinc/72/48/89/401724889.db2.gz VNEDIYBLCRHHLK-UHFFFAOYSA-N 1 0 314.370 2.348 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000007166302 401737478 /nfs/dbraw/zinc/73/74/78/401737478.db2.gz HEAHKKGIIAKUTB-CVEARBPZSA-N 1 0 321.417 2.010 50 0 DEAARO Fc1cccc(-n2nnnc2SCC[NH+]2CCCCC2)c1 ZINC000007735578 401743166 /nfs/dbraw/zinc/74/31/66/401743166.db2.gz QJJBKZPXSBNJQL-UHFFFAOYSA-N 1 0 307.398 2.379 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000071880525 401691626 /nfs/dbraw/zinc/69/16/26/401691626.db2.gz PYONVGDAGYNYTG-STQMWFEESA-N 1 0 308.344 2.041 50 0 DEAARO Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071883811 401692314 /nfs/dbraw/zinc/69/23/14/401692314.db2.gz BAZZTLFVPBLMLQ-AWEZNQCLSA-N 1 0 315.417 2.067 50 0 DEAARO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC000071897097 401693751 /nfs/dbraw/zinc/69/37/51/401693751.db2.gz ICGBJBIDVMDCSL-LZWOXQAQSA-N 1 0 323.481 2.013 50 0 DEAARO CCOCC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000071904352 401695060 /nfs/dbraw/zinc/69/50/60/401695060.db2.gz WTAVQIYDNNKQFU-UHFFFAOYSA-N 1 0 308.397 2.190 50 0 DEAARO CCOC[C@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000071904905 401695524 /nfs/dbraw/zinc/69/55/24/401695524.db2.gz AMWSAFPZKTWPLU-GOSISDBHSA-N 1 0 318.461 2.159 50 0 DEAARO C/C=C/C=C/C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000071907652 401695692 /nfs/dbraw/zinc/69/56/92/401695692.db2.gz CBJRPVKDYAVFFF-MQQKCMAXSA-N 1 0 314.429 2.392 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000000429212 401698214 /nfs/dbraw/zinc/69/82/14/401698214.db2.gz MUXRCVZDOSKJCL-INIZCTEOSA-N 1 0 315.417 2.028 50 0 DEAARO COc1cc2c(cc1O)CCN(C(=O)C[NH+]1CCCCC1)[C@@H]2C ZINC000000525714 401700207 /nfs/dbraw/zinc/70/02/07/401700207.db2.gz DADSJLKUDGBBOX-CYBMUJFWSA-N 1 0 318.417 2.332 50 0 biogenic DEAARO OC[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757856 401702781 /nfs/dbraw/zinc/70/27/81/401702781.db2.gz FLIYQTMRXQXXTN-GOSISDBHSA-N 1 0 302.462 2.398 50 0 DEAARO O=C(N[C@H]1CCc2nccn2C1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255117 401704078 /nfs/dbraw/zinc/70/40/78/401704078.db2.gz PYOZJMPLVYQFRS-WMZOPIPTSA-N 1 0 324.428 2.151 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000072268694 401704863 /nfs/dbraw/zinc/70/48/63/401704863.db2.gz WORGLUQZWPHXGU-QWHCGFSZSA-N 1 0 322.371 2.431 50 0 DEAARO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2ccccc2c1 ZINC000002516262 401714684 /nfs/dbraw/zinc/71/46/84/401714684.db2.gz REBHTGLALGGOMA-INIZCTEOSA-N 1 0 313.401 2.268 50 0 in-vitro DEAARO Cc1nn(C)c(C)c1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000111404010 401715000 /nfs/dbraw/zinc/71/50/00/401715000.db2.gz WGTACXNFYMWPGV-UHFFFAOYSA-N 1 0 320.481 2.162 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2ccccc2O)[NH+](C)C)cc1 ZINC000002657939 401716511 /nfs/dbraw/zinc/71/65/11/401716511.db2.gz QTTNRPRHBVSVQJ-MRXNPFEDSA-N 1 0 314.385 2.434 50 0 DEAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000002661989 401716543 /nfs/dbraw/zinc/71/65/43/401716543.db2.gz IISUGOAWMSSHGE-AWEZNQCLSA-N 1 0 305.399 2.480 50 0 DEAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000014138076 401807537 /nfs/dbraw/zinc/80/75/37/401807537.db2.gz ULNVSILHVJHWQS-AWEZNQCLSA-N 1 0 315.417 2.484 50 0 DEAARO O=C1CCNC(=S)N1Cc1ccccc1C[NH+]1CCCCC1 ZINC000014187751 401809010 /nfs/dbraw/zinc/80/90/10/401809010.db2.gz ALJQXOWJQVVYEB-UHFFFAOYSA-N 1 0 317.458 2.279 50 0 DEAARO CNC(=O)CC[N@H+](C)[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000075140786 401751794 /nfs/dbraw/zinc/75/17/94/401751794.db2.gz NKZYAWZPUOHFHQ-CYBMUJFWSA-N 1 0 318.339 2.461 50 0 DEAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCCC1=O ZINC000008429102 401753052 /nfs/dbraw/zinc/75/30/52/401753052.db2.gz DQBFMFUGTUKBEV-CQSZACIVSA-N 1 0 303.406 2.006 50 0 DEAARO Cn1cccc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000075568251 401763116 /nfs/dbraw/zinc/76/31/16/401763116.db2.gz GRSFPMYNYZTCDQ-HNNXBMFYSA-N 1 0 305.447 2.250 50 0 DEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)C)C2=O)c1 ZINC000011996873 401778232 /nfs/dbraw/zinc/77/82/32/401778232.db2.gz XFQZMABLYBWAQC-GOSISDBHSA-N 1 0 304.434 2.237 50 0 DEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2=O)cc1 ZINC000012051650 401778788 /nfs/dbraw/zinc/77/87/88/401778788.db2.gz UDGKQUWGFMTIJM-GOSISDBHSA-N 1 0 304.434 2.225 50 0 DEAARO Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)n1 ZINC000012305285 401783271 /nfs/dbraw/zinc/78/32/71/401783271.db2.gz CGCGQEOUTPLCMY-KRWDZBQOSA-N 1 0 302.422 2.056 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccc(F)cc1 ZINC000012443318 401786279 /nfs/dbraw/zinc/78/62/79/401786279.db2.gz LZCZFOWHKPLVQL-INIZCTEOSA-N 1 0 314.360 2.422 50 0 DEAARO c1cc(NCC2([NH+]3CCCCC3)CCCCC2)nn2nnnc12 ZINC000012808287 401792345 /nfs/dbraw/zinc/79/23/45/401792345.db2.gz VMIVXXWMLINRTK-UHFFFAOYSA-N 1 0 315.425 2.120 50 0 DEAARO CC(C)(C)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000016473219 401819337 /nfs/dbraw/zinc/81/93/37/401819337.db2.gz MKHAMRDOKQJJCJ-UHFFFAOYSA-N 1 0 310.195 2.345 50 0 DEAARO COCC[N@@H+]1CC[C@H](CN2CCN(c3ccc(C)cc3)CC2)C1 ZINC000020209512 401823667 /nfs/dbraw/zinc/82/36/67/401823667.db2.gz BIWBYAUSDUDHMC-SFHVURJKSA-N 1 0 317.477 2.085 50 0 DEAARO COCC[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc(F)c1F ZINC000020993318 401825216 /nfs/dbraw/zinc/82/52/16/401825216.db2.gz GRKRFPYAVNWELK-CYBMUJFWSA-N 1 0 312.360 2.082 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc(Cl)cn2)C1 ZINC000077957257 401836864 /nfs/dbraw/zinc/83/68/64/401836864.db2.gz SUTFPKPXBBHXEV-ZDUSSCGKSA-N 1 0 312.797 2.249 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000132605139 401869814 /nfs/dbraw/zinc/86/98/14/401869814.db2.gz KFBGLEZJRAXLDR-URWSZGRFSA-N 1 0 301.777 2.461 50 0 DEAARO CC(C)(C)c1cc(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)[nH]n1 ZINC000077358921 401812309 /nfs/dbraw/zinc/81/23/09/401812309.db2.gz IFQWQCSSLJRFEQ-GOSISDBHSA-N 1 0 320.481 2.130 50 0 DEAARO CC[NH+](CC)CCCNC(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000032648238 401880968 /nfs/dbraw/zinc/88/09/68/401880968.db2.gz FLBIGBGKHDUWHI-GFCCVEGCSA-N 1 0 300.834 2.021 50 0 DEAARO Cn1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000032761864 401882477 /nfs/dbraw/zinc/88/24/77/401882477.db2.gz RGSFSYWAZLTIAM-ZDUSSCGKSA-N 1 0 304.419 2.049 50 0 DEAARO Cc1cc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)no1 ZINC000032841347 401884027 /nfs/dbraw/zinc/88/40/27/401884027.db2.gz QKDUVJHICRGTRO-AWEZNQCLSA-N 1 0 302.378 2.277 50 0 DEAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485066 401899668 /nfs/dbraw/zinc/89/96/68/401899668.db2.gz ULEQQBDXLPQOJP-SFHVURJKSA-N 1 0 310.397 2.068 50 0 biogenic DEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3)C2)CN1CCCO ZINC000082109123 401900012 /nfs/dbraw/zinc/90/00/12/401900012.db2.gz ZVLVIDNJJRSVJX-IBGZPJMESA-N 1 0 316.445 2.274 50 0 DEAARO CCC[C@@H](O)C[N@H+](CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095037 401902114 /nfs/dbraw/zinc/90/21/14/401902114.db2.gz COCPOHDCHSDYDK-OAHLLOKOSA-N 1 0 311.422 2.313 50 0 DEAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000036300192 401904587 /nfs/dbraw/zinc/90/45/87/401904587.db2.gz DOUSDWWFLTYVQQ-UHFFFAOYSA-N 1 0 323.245 2.366 50 0 DEAARO c1cnn(-c2ccccc2C[NH2+]CCc2nnc3ccccn32)c1 ZINC000084650799 401908724 /nfs/dbraw/zinc/90/87/24/401908724.db2.gz XJVGJHXFQMOMIZ-UHFFFAOYSA-N 1 0 318.384 2.247 50 0 DEAARO CC(C)CC[NH+]1CCC(CNC(=O)N2CCOC[C@@H]2C)CC1 ZINC000084715347 401909148 /nfs/dbraw/zinc/90/91/48/401909148.db2.gz FFZNVXXWLWTAAR-HNNXBMFYSA-N 1 0 311.470 2.175 50 0 DEAARO CC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000085467990 401916895 /nfs/dbraw/zinc/91/68/95/401916895.db2.gz DUBLZNXICSHTPU-KRWDZBQOSA-N 1 0 304.434 2.407 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)NCCCC[NH+]1CCOCC1 ZINC000048286766 401997329 /nfs/dbraw/zinc/99/73/29/401997329.db2.gz SVYLPWBOBOXPBK-UHFFFAOYSA-N 1 0 310.825 2.111 50 0 DEAARO Cc1nnc(CCC[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000089736314 401959646 /nfs/dbraw/zinc/95/96/46/401959646.db2.gz NWQSEQWKNCPSPC-CYBMUJFWSA-N 1 0 324.425 2.300 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NCC1(O)CCC1 ZINC000089799946 401964702 /nfs/dbraw/zinc/96/47/02/401964702.db2.gz DQUWZIOGBWOURE-CYBMUJFWSA-N 1 0 323.462 2.099 50 0 DEAARO CN(CC1CC[NH+](C)CC1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089817355 401966042 /nfs/dbraw/zinc/96/60/42/401966042.db2.gz GGEPVGQAAPQANA-CYBMUJFWSA-N 1 0 323.462 2.408 50 0 DEAARO COc1ccc(CCN2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000089888539 401970425 /nfs/dbraw/zinc/97/04/25/401970425.db2.gz MKBIIAGOBMBNHS-MOPGFXCFSA-N 1 0 318.461 2.159 50 0 DEAARO C[C@@H](c1ccccn1)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000089924875 401973690 /nfs/dbraw/zinc/97/36/90/401973690.db2.gz BOAJOSWUFWJHLX-BBRMVZONSA-N 1 0 300.406 2.322 50 0 DEAARO O=C(Nc1nnc(C2CC2)s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000047498264 401982746 /nfs/dbraw/zinc/98/27/46/401982746.db2.gz YRIOMNMHOWBFND-QWRGUYRKSA-N 1 0 307.423 2.164 50 0 DEAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000048006671 401991933 /nfs/dbraw/zinc/99/19/33/401991933.db2.gz HSONLJLXMLLHAM-GFCCVEGCSA-N 1 0 307.394 2.325 50 0 DEAARO CC1CC[NH+](CCNC(=O)Nc2ccc(N(C)C)nc2)CC1 ZINC000048087807 401993514 /nfs/dbraw/zinc/99/35/14/401993514.db2.gz ZQACSXQPTAQDFP-UHFFFAOYSA-N 1 0 305.426 2.001 50 0 DEAARO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000089420372 401945724 /nfs/dbraw/zinc/94/57/24/401945724.db2.gz MXSHHHBHGFHSSG-IYBDPMFKSA-N 1 0 302.418 2.181 50 0 DEAARO O=C(C[C@H]1COCCN1C[C@H](O)c1ccccc1)c1ccco1 ZINC000121043711 402012174 /nfs/dbraw/zinc/01/21/74/402012174.db2.gz MZOQHVBNQDVTED-RDJZCZTQSA-N 1 0 315.369 2.287 50 0 DEAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC(F)(F)F ZINC000049208602 402014095 /nfs/dbraw/zinc/01/40/95/402014095.db2.gz DBTMLJSKOPOHOH-UHFFFAOYSA-N 1 0 315.339 2.296 50 0 DEAARO OCc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)o1 ZINC000095368518 402029020 /nfs/dbraw/zinc/02/90/20/402029020.db2.gz LJPBQLFYZBRVLC-JKSUJKDBSA-N 1 0 304.434 2.468 50 0 DEAARO CC[C@H]1CN(C(=O)c2ccn(C(F)F)n2)CC[N@@H+]1C(C)C ZINC000095382117 402030392 /nfs/dbraw/zinc/03/03/92/402030392.db2.gz PZPWGWYGHQYKIQ-NSHDSACASA-N 1 0 300.353 2.223 50 0 DEAARO CN(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC000095387965 402031826 /nfs/dbraw/zinc/03/18/26/402031826.db2.gz MGZDASJQVNGQNK-MRXNPFEDSA-N 1 0 321.440 2.419 50 0 DEAARO Cc1cnn(-c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)c1 ZINC000095954433 402036388 /nfs/dbraw/zinc/03/63/88/402036388.db2.gz XTZJDTCDEOUJNT-OAHLLOKOSA-N 1 0 312.417 2.395 50 0 DEAARO Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ncn1 ZINC000095970998 402038874 /nfs/dbraw/zinc/03/88/74/402038874.db2.gz ZHBDQWIOVFSYNW-SJORKVTESA-N 1 0 312.417 2.080 50 0 DEAARO O=C(NC1CC=CC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000095979508 402040861 /nfs/dbraw/zinc/04/08/61/402040861.db2.gz VOOVWFZOENFQGX-UHFFFAOYSA-N 1 0 314.429 2.339 50 0 DEAARO C[C@H](CO)N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000095982089 402042159 /nfs/dbraw/zinc/04/21/59/402042159.db2.gz AWXDAMCDCLFBDT-CQSZACIVSA-N 1 0 311.470 2.053 50 0 DEAARO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)CCn1cccn1)C2 ZINC000095996921 402044730 /nfs/dbraw/zinc/04/47/30/402044730.db2.gz DXRGWUANHMGYTQ-UKRRQHHQSA-N 1 0 301.390 2.264 50 0 DEAARO O=S(=O)(NC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000053254772 402053788 /nfs/dbraw/zinc/05/37/88/402053788.db2.gz JKTGHDJCPWCIGE-MRVPVSSYSA-N 1 0 309.218 2.024 50 0 DEAARO Cc1cc(C)n(-c2ccnc(N3CC[NH+](CC(C)C)CC3)n2)n1 ZINC000096101971 402058250 /nfs/dbraw/zinc/05/82/50/402058250.db2.gz NMPURJPEFQTMSC-UHFFFAOYSA-N 1 0 314.437 2.057 50 0 DEAARO CCOc1cccc(C[N@H+](CCO)Cc2nc(C)ccc2O)c1 ZINC000055343203 402080570 /nfs/dbraw/zinc/08/05/70/402080570.db2.gz ZKJIQEATSFRERO-UHFFFAOYSA-N 1 0 316.401 2.489 50 0 DEAARO c1cn(CCC[N@@H+](Cc2cccnc2)C[C@@H]2CCOC2)cn1 ZINC000055344578 402080719 /nfs/dbraw/zinc/08/07/19/402080719.db2.gz RAQQRTOXBSHLAU-KRWDZBQOSA-N 1 0 300.406 2.207 50 0 DEAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCNS(C)(=O)=O)o1 ZINC000096415007 402080863 /nfs/dbraw/zinc/08/08/63/402080863.db2.gz AFONRHNPBAFABE-ZDUSSCGKSA-N 1 0 300.424 2.054 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccccc21 ZINC000055401175 402080910 /nfs/dbraw/zinc/08/09/10/402080910.db2.gz SEOPVZLYDXNNMR-CHWSQXEVSA-N 1 0 300.406 2.413 50 0 DEAARO Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)N2CCOCC2)c(C)c1CO ZINC000055392855 402081390 /nfs/dbraw/zinc/08/13/90/402081390.db2.gz WZYKCDFFSMZJMV-MRXNPFEDSA-N 1 0 320.477 2.257 50 0 DEAARO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCO3)cc21 ZINC000096418436 402081638 /nfs/dbraw/zinc/08/16/38/402081638.db2.gz HVJNDNPILWYXHY-INIZCTEOSA-N 1 0 301.390 2.320 50 0 DEAARO COc1cccc(CCC[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000096424169 402083009 /nfs/dbraw/zinc/08/30/09/402083009.db2.gz BIGNDJFYKAPRDH-MRXNPFEDSA-N 1 0 304.434 2.428 50 0 DEAARO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096437215 402086921 /nfs/dbraw/zinc/08/69/21/402086921.db2.gz OULQMMWJXJZMFI-ZIAGYGMSSA-N 1 0 318.417 2.066 50 0 DEAARO O=C(c1noc2c1CCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000056691667 402090091 /nfs/dbraw/zinc/09/00/91/402090091.db2.gz ZSQBUFWLJBIJCJ-UHFFFAOYSA-N 1 0 303.406 2.254 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCOC1 ZINC000096454423 402090700 /nfs/dbraw/zinc/09/07/00/402090700.db2.gz QFDRAEDWYGEULB-NXHRZFHOSA-N 1 0 316.445 2.440 50 0 DEAARO CSC[C@](C)(O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000096478068 402093977 /nfs/dbraw/zinc/09/39/77/402093977.db2.gz UYYDVFOUAAFZAJ-DLBZAZTESA-N 1 0 308.491 2.355 50 0 DEAARO CCc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C(C)C)cc1 ZINC000057593916 402095475 /nfs/dbraw/zinc/09/54/75/402095475.db2.gz KOYRWHSUFQKNHT-SWLSCSKDSA-N 1 0 305.422 2.380 50 0 DEAARO CC(C)C[C@H]([NH2+]C1CCSCC1)c1nc(-c2nc[nH]n2)no1 ZINC000096493851 402096375 /nfs/dbraw/zinc/09/63/75/402096375.db2.gz PUVJKUIETAUYKA-NSHDSACASA-N 1 0 322.438 2.427 50 0 DEAARO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000097033984 402100808 /nfs/dbraw/zinc/10/08/08/402100808.db2.gz NCXCCTORCQDBQV-SFHVURJKSA-N 1 0 313.401 2.472 50 0 DEAARO CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC[NH+](C)C)c1 ZINC000097051203 402103545 /nfs/dbraw/zinc/10/35/45/402103545.db2.gz VYUTTYUFGUSSNM-UHFFFAOYSA-N 1 0 312.801 2.372 50 0 DEAARO C[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000097083818 402105414 /nfs/dbraw/zinc/10/54/14/402105414.db2.gz RNKQLENKNODXPN-MAZHCROVSA-N 1 0 312.417 2.457 50 0 DEAARO CCC[C@H](C)CS(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000097104268 402107935 /nfs/dbraw/zinc/10/79/35/402107935.db2.gz NHOZXKDIMLWSPD-KKUMJFAQSA-N 1 0 304.500 2.462 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NCc1ccco1)[C@@H]1COc2ccccc21 ZINC000097112603 402108743 /nfs/dbraw/zinc/10/87/43/402108743.db2.gz ATXZLFKWHZBQMZ-DOMZBBRYSA-N 1 0 300.358 2.050 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnn(C)c1 ZINC000097142397 402110684 /nfs/dbraw/zinc/11/06/84/402110684.db2.gz XTJMYMKHHLVKSL-BBRMVZONSA-N 1 0 313.405 2.062 50 0 DEAARO CN(C)c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cn1 ZINC000097159391 402112144 /nfs/dbraw/zinc/11/21/44/402112144.db2.gz FSLHBZBINDXPHQ-UHFFFAOYSA-N 1 0 308.389 2.223 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)CC2 ZINC000097199458 402115370 /nfs/dbraw/zinc/11/53/70/402115370.db2.gz OOCGJSFBQFFCSO-GFCCVEGCSA-N 1 0 314.418 2.143 50 0 DEAARO CCc1nnc2n1C[C@H]([NH2+]Cc1nc3ccccc3n1CC)CC2 ZINC000097199552 402115671 /nfs/dbraw/zinc/11/56/71/402115671.db2.gz UXEXMMZWWYMZIF-CYBMUJFWSA-N 1 0 324.432 2.315 50 0 DEAARO CCn1cc(C2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000097203640 402117601 /nfs/dbraw/zinc/11/76/01/402117601.db2.gz BDJPSJRSVGYWHJ-QGZVFWFLSA-N 1 0 312.417 2.309 50 0 DEAARO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000054226299 402064711 /nfs/dbraw/zinc/06/47/11/402064711.db2.gz DEKKXAGVKYBSNL-GOEBONIOSA-N 1 0 310.401 2.350 50 0 DEAARO CC(C)(CC(=O)NCC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1 ZINC000097446986 402125222 /nfs/dbraw/zinc/12/52/22/402125222.db2.gz BXRSJDOCHGKONG-QGZVFWFLSA-N 1 0 318.461 2.317 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCCO3)CC2)o1 ZINC000097447063 402125443 /nfs/dbraw/zinc/12/54/43/402125443.db2.gz IGIUGYKVANLJFN-QGZVFWFLSA-N 1 0 320.433 2.485 50 0 DEAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1ccn2cnnc2c1 ZINC000097468064 402125769 /nfs/dbraw/zinc/12/57/69/402125769.db2.gz QTLWJENHBKJCPJ-UHFFFAOYSA-N 1 0 315.421 2.067 50 0 DEAARO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000065501265 402125774 /nfs/dbraw/zinc/12/57/74/402125774.db2.gz WTCRKOAUNSHNON-ROUUACIJSA-N 1 0 316.445 2.236 50 0 DEAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000097578644 402127330 /nfs/dbraw/zinc/12/73/30/402127330.db2.gz RLBRFCZGZUFXEN-CQSZACIVSA-N 1 0 311.832 2.301 50 0 DEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCCc2ccccc2F)C1 ZINC000097653998 402129488 /nfs/dbraw/zinc/12/94/88/402129488.db2.gz HEJKQBNCMVQLPV-MRXNPFEDSA-N 1 0 322.424 2.374 50 0 DEAARO O=C(N[C@@H](CO)c1ccc(Cl)cc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097376636 402123395 /nfs/dbraw/zinc/12/33/95/402123395.db2.gz FBNTYRICAMYNQI-JKSUJKDBSA-N 1 0 322.836 2.364 50 0 DEAARO CCn1nc(C)c(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000067015836 402150570 /nfs/dbraw/zinc/15/05/70/402150570.db2.gz XUNFNXXVNUIMKO-ZDUSSCGKSA-N 1 0 321.469 2.193 50 0 DEAARO CCc1nc(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cs1 ZINC000067269437 402155774 /nfs/dbraw/zinc/15/57/74/402155774.db2.gz VEGBJEZFKQFXRI-CYBMUJFWSA-N 1 0 309.479 2.485 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2ccnc2)[NH+](C)C)cc1 ZINC000067266992 402155987 /nfs/dbraw/zinc/15/59/87/402155987.db2.gz QPVVNSMHCSKXLX-GDBMZVCRSA-N 1 0 300.406 2.172 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000124455367 402180726 /nfs/dbraw/zinc/18/07/26/402180726.db2.gz FFCQFOQORXYRGV-CQSZACIVSA-N 1 0 311.385 2.095 50 0 DEAARO [NH3+]C1(C(=O)N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 ZINC000067643723 402165957 /nfs/dbraw/zinc/16/59/57/402165957.db2.gz QQSGWHHXXMOPDA-HNNXBMFYSA-N 1 0 324.428 2.198 50 0 DEAARO CCSCCNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067723963 402169904 /nfs/dbraw/zinc/16/99/04/402169904.db2.gz MJWGYEHCIROGOM-UHFFFAOYSA-N 1 0 315.446 2.349 50 0 DEAARO C=Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)NC3CCCC3)C2)cn1 ZINC000067713203 402170014 /nfs/dbraw/zinc/17/00/14/402170014.db2.gz OUBALMXYEMVJEF-AWEZNQCLSA-N 1 0 317.437 2.047 50 0 DEAARO C[C@@H]1CN(Cc2cnc(NCc3ccccc3)nc2)CC[N@@H+]1C ZINC000067757291 402172010 /nfs/dbraw/zinc/17/20/10/402172010.db2.gz IRAISNTVORGEPP-OAHLLOKOSA-N 1 0 311.433 2.225 50 0 DEAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000067774959 402172473 /nfs/dbraw/zinc/17/24/73/402172473.db2.gz UXNOZHINIRNAMS-CQSZACIVSA-N 1 0 312.417 2.408 50 0 DEAARO CN(C)c1cncc(-c2cc(Cl)cc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067821613 402173575 /nfs/dbraw/zinc/17/35/75/402173575.db2.gz UVNQRMQUQKYZBR-LLVKDONJSA-N 1 0 304.781 2.125 50 0 DEAARO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@H](C)[NH2+]1 ZINC000153856566 402175327 /nfs/dbraw/zinc/17/53/27/402175327.db2.gz GPQIMBRGQSUDPS-QWRGUYRKSA-N 1 0 302.353 2.038 50 0 DEAARO COc1ccccc1Oc1ncccc1CNC(=O)C[C@@H](C)[NH3+] ZINC000067871514 402176692 /nfs/dbraw/zinc/17/66/92/402176692.db2.gz XAXOJBKVGDRTBL-GFCCVEGCSA-N 1 0 315.373 2.236 50 0 DEAARO C[N@H+](CCc1nc2cc(F)ccc2[nH]1)Cc1cnn2cccnc12 ZINC000067872345 402177052 /nfs/dbraw/zinc/17/70/52/402177052.db2.gz MWOVUEUZMDGYGH-UHFFFAOYSA-N 1 0 324.363 2.419 50 0 DEAARO c1coc(-c2noc(CN3CCC[C@H]([NH+]4CCCC4)C3)n2)c1 ZINC000069150411 402214969 /nfs/dbraw/zinc/21/49/69/402214969.db2.gz NVTCIQNRRORLCF-ZDUSSCGKSA-N 1 0 302.378 2.390 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C ZINC000106840901 402217602 /nfs/dbraw/zinc/21/76/02/402217602.db2.gz FXGBWBNRDVKSNR-GJZGRUSLSA-N 1 0 315.417 2.229 50 0 DEAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnccn1 ZINC000069351916 402219648 /nfs/dbraw/zinc/21/96/48/402219648.db2.gz LDFVNZDHDYVOBV-UHFFFAOYSA-N 1 0 312.417 2.461 50 0 DEAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC000107064391 402225594 /nfs/dbraw/zinc/22/55/94/402225594.db2.gz YOXAJKJZYWDSNX-QAPCUYQASA-N 1 0 316.445 2.327 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000069528760 402229201 /nfs/dbraw/zinc/22/92/01/402229201.db2.gz SGLYDYQNDGCAIX-TWMKSMIVSA-N 1 0 324.465 2.046 50 0 DEAARO CCc1c(NC(=O)C[NH+](CC)CC)n[nH]c1-c1ccncc1 ZINC000069592735 402232769 /nfs/dbraw/zinc/23/27/69/402232769.db2.gz YPBDSWKRQBXUCK-UHFFFAOYSA-N 1 0 301.394 2.314 50 0 DEAARO CCc1n[nH]cc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000069601714 402233502 /nfs/dbraw/zinc/23/35/02/402233502.db2.gz YQYHYUWKYRQNBS-OAHLLOKOSA-N 1 0 316.405 2.440 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 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324.371 2.063 50 0 DEAARO CCn1ccnc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000069778703 402243531 /nfs/dbraw/zinc/24/35/31/402243531.db2.gz AHPOZVNUNSPRJP-UHFFFAOYSA-N 1 0 304.463 2.325 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000069808207 402244687 /nfs/dbraw/zinc/24/46/87/402244687.db2.gz CSGRMXNNTWCNST-SJORKVTESA-N 1 0 314.429 2.249 50 0 DEAARO CN(Cc1ccsc1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069818232 402245944 /nfs/dbraw/zinc/24/59/44/402245944.db2.gz YHJVRGAXVWWNPZ-HNNXBMFYSA-N 1 0 318.446 2.068 50 0 DEAARO Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000108119100 402246974 /nfs/dbraw/zinc/24/69/74/402246974.db2.gz UDLFQKDSJAFWQY-IRXDYDNUSA-N 1 0 312.417 2.080 50 0 DEAARO CC[C@@H]1CN(Cc2nc3ccccc3o2)CC[N@@H+]1CCOC ZINC000069842216 402246976 /nfs/dbraw/zinc/24/69/76/402246976.db2.gz MUYYHGTVAICFNZ-CQSZACIVSA-N 1 0 303.406 2.370 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 ZINC000069897643 402249971 /nfs/dbraw/zinc/24/99/71/402249971.db2.gz KUGUWXPLASSXFF-CABCVRRESA-N 1 0 304.438 2.337 50 0 DEAARO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)[C@H](C)n1cccn1 ZINC000069902010 402250224 /nfs/dbraw/zinc/25/02/24/402250224.db2.gz RBYCBBYTTIUKKL-QWRGUYRKSA-N 1 0 307.785 2.109 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)[C@H](C)n1cccn1 ZINC000069920077 402251232 /nfs/dbraw/zinc/25/12/32/402251232.db2.gz DHEYSHNNFWJUIW-OLZOCXBDSA-N 1 0 306.435 2.142 50 0 DEAARO Cc1ccc(CC(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)s1 ZINC000069928530 402251697 /nfs/dbraw/zinc/25/16/97/402251697.db2.gz ZAJDSRKENMDDRZ-HNNXBMFYSA-N 1 0 324.490 2.150 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC000069927973 402251950 /nfs/dbraw/zinc/25/19/50/402251950.db2.gz WYBVIKLENPKYCR-INIZCTEOSA-N 1 0 322.416 2.390 50 0 DEAARO COCC[N@@H+]1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C ZINC000069976334 402253620 /nfs/dbraw/zinc/25/36/20/402253620.db2.gz WVTHMNYIBCWGMX-HNNXBMFYSA-N 1 0 317.433 2.413 50 0 DEAARO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC000070076419 402256726 /nfs/dbraw/zinc/25/67/26/402256726.db2.gz MYSLJPHMTCTLDJ-DTORHVGOSA-N 1 0 315.186 2.411 50 0 DEAARO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173514 402258408 /nfs/dbraw/zinc/25/84/08/402258408.db2.gz QGVKGPBDXBCRTP-VXGBXAGGSA-N 1 0 316.854 2.396 50 0 DEAARO C[NH+](C)C1CCN(C(C)(C)CNC(=O)Nc2cccnc2)CC1 ZINC000069033516 402211826 /nfs/dbraw/zinc/21/18/26/402211826.db2.gz WJWSLMBWDOBMSD-UHFFFAOYSA-N 1 0 319.453 2.008 50 0 DEAARO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NCc1ccccc1 ZINC000069077895 402212922 /nfs/dbraw/zinc/21/29/22/402212922.db2.gz NWXJZLFMPZDFDF-GOSISDBHSA-N 1 0 315.461 2.253 50 0 DEAARO C[C@H]1CO[C@H](c2ccccc2)CN1CC[N@@H+]1CCCOCC1 ZINC000225676250 402321564 /nfs/dbraw/zinc/32/15/64/402321564.db2.gz PSHKMLXFCLPQRP-WMZOPIPTSA-N 1 0 304.434 2.171 50 0 DEAARO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)ccc1-n1cncn1 ZINC000195573505 402273316 /nfs/dbraw/zinc/27/33/16/402273316.db2.gz 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CC(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000221747616 402304525 /nfs/dbraw/zinc/30/45/25/402304525.db2.gz VREGBTOHCPMNFJ-HUUCEWRRSA-N 1 0 300.468 2.135 50 0 DEAARO COC(=O)[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000222195364 402306265 /nfs/dbraw/zinc/30/62/65/402306265.db2.gz DAMNTHXNSLVQDP-BZUAXINKSA-N 1 0 322.449 2.053 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Cc1cc(C)ccc1C ZINC000222482593 402307380 /nfs/dbraw/zinc/30/73/80/402307380.db2.gz OEBGUNBWEWMSOD-IRXDYDNUSA-N 1 0 304.434 2.070 50 0 DEAARO Cc1noc(C)c1CCCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000223778047 402312428 /nfs/dbraw/zinc/31/24/28/402312428.db2.gz IKEMSLPFJROPOC-UHFFFAOYSA-N 1 0 301.394 2.331 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(CCOCCOc2ccccc2)CC1 ZINC000225442318 402317881 /nfs/dbraw/zinc/31/78/81/402317881.db2.gz FXTCERCITMLIFH-QGZVFWFLSA-N 1 0 306.450 2.498 50 0 DEAARO CCn1cc(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1 ZINC000225490819 402319250 /nfs/dbraw/zinc/31/92/50/402319250.db2.gz 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ZINC000229701861 402344832 /nfs/dbraw/zinc/34/48/32/402344832.db2.gz GJWGDOVQSNDZNN-HIFRSBDPSA-N 1 0 307.463 2.375 50 0 DEAARO CSCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000244748624 402449480 /nfs/dbraw/zinc/44/94/80/402449480.db2.gz OLJIOJIBMQTDRG-AWEZNQCLSA-N 1 0 308.447 2.226 50 0 DEAARO Cc1nnc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(C3CC3)n2)s1 ZINC000244774235 402449676 /nfs/dbraw/zinc/44/96/76/402449676.db2.gz PQCYPRCKOWNWPZ-PHIMTYICSA-N 1 0 316.434 2.331 50 0 DEAARO CC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000244828525 402449976 /nfs/dbraw/zinc/44/99/76/402449976.db2.gz TXTRUUTWJLFODH-HNNXBMFYSA-N 1 0 321.396 2.063 50 0 DEAARO COCCn1cncc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000244872968 402450106 /nfs/dbraw/zinc/45/01/06/402450106.db2.gz WHQZVYMNNXRALU-MRXNPFEDSA-N 1 0 317.437 2.171 50 0 DEAARO CCc1nccn1CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244884290 402451032 /nfs/dbraw/zinc/45/10/32/402451032.db2.gz YJFVYVMTKLNFRN-UHFFFAOYSA-N 1 0 324.472 2.231 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1 ZINC000237984350 402430043 /nfs/dbraw/zinc/43/00/43/402430043.db2.gz MJXFEEOPEZSPKT-MVIFTORASA-N 1 0 300.280 2.158 50 0 DEAARO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000241301112 402443675 /nfs/dbraw/zinc/44/36/75/402443675.db2.gz LQJZUXXFNVCHRR-KBPBESRZSA-N 1 0 311.813 2.031 50 0 DEAARO COc1ccccc1OCCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000243915023 402446701 /nfs/dbraw/zinc/44/67/01/402446701.db2.gz BLUPJRPLKNLOKB-UHFFFAOYSA-N 1 0 306.406 2.018 50 0 DEAARO Cc1ccc(C)c([C@@H](C)NC(=O)C[N@H+](C)CC2(C)COC2)c1 ZINC000243900884 402447116 /nfs/dbraw/zinc/44/71/16/402447116.db2.gz AWXGNWGRAMPRSJ-OAHLLOKOSA-N 1 0 304.434 2.449 50 0 DEAARO CC1(C(=O)N[C@@H]2CCC[C@H]2O)CC[NH+](Cc2ccccc2)CC1 ZINC000165122731 402473359 /nfs/dbraw/zinc/47/33/59/402473359.db2.gz CQFZKQZXUCUBIP-IAGOWNOFSA-N 1 0 316.445 2.318 50 0 DEAARO O=C(N[C@@H]1CC[NH2+]C1)c1csc(-c2c(F)cccc2F)n1 ZINC000178455777 402500828 /nfs/dbraw/zinc/50/08/28/402500828.db2.gz 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ZINC000252487619 402655576 /nfs/dbraw/zinc/65/55/76/402655576.db2.gz ZNYBWBYKRPGUCO-OFQRWUPVSA-N 1 0 309.454 2.260 50 0 DEAARO COC(=O)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000260514955 402713214 /nfs/dbraw/zinc/71/32/14/402713214.db2.gz SVWPERPOHJNFLE-UHFFFAOYSA-N 1 0 314.179 2.367 50 0 DEAARO O=C1[C@@H]2CCCN2C(=O)N1C1CC[NH+](C2CCCCC2)CC1 ZINC000253420365 402665284 /nfs/dbraw/zinc/66/52/84/402665284.db2.gz OCJCDUYACMCQLF-HNNXBMFYSA-N 1 0 305.422 2.210 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000253427598 402665808 /nfs/dbraw/zinc/66/58/08/402665808.db2.gz CUTCLKBSVPAFHR-RDTXWAMCSA-N 1 0 321.465 2.315 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 ZINC000253603903 402669832 /nfs/dbraw/zinc/66/98/32/402669832.db2.gz OZNXXZGFLBYEPP-JKSUJKDBSA-N 1 0 304.438 2.057 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCn1cc(C)cn1 ZINC000253604500 402670303 /nfs/dbraw/zinc/67/03/03/402670303.db2.gz XENUIWFXYRAIOS-HZPDHXFCSA-N 1 0 304.438 2.057 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(Br)s2)C1 ZINC000255108642 402678784 /nfs/dbraw/zinc/67/87/84/402678784.db2.gz XBTBVUGVIPJRPB-MDHMXLOGSA-N 1 0 315.236 2.331 50 0 DEAARO Fc1ccc(/C=C\CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000255165209 402680840 /nfs/dbraw/zinc/68/08/40/402680840.db2.gz INTUOHAYBWDOOS-NLVOMGJBSA-N 1 0 304.409 2.493 50 0 DEAARO C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C[C@H](C)[NH2+]1 ZINC000255205186 402681623 /nfs/dbraw/zinc/68/16/23/402681623.db2.gz VHQNSNVRCKGHJT-ZMAHGOAUSA-N 1 0 310.401 2.094 50 0 DEAARO CN1Cc2cccn2C[C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000257186799 402701386 /nfs/dbraw/zinc/70/13/86/402701386.db2.gz KTQXKUNHUQLFAJ-OAHLLOKOSA-N 1 0 302.353 2.263 50 0 DEAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000191992816 402703122 /nfs/dbraw/zinc/70/31/22/402703122.db2.gz ROSZULBSKVDSHB-HOCLYGCPSA-N 1 0 312.417 2.267 50 0 DEAARO CCO[C@@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)C12CCC2 ZINC000192496035 402732571 /nfs/dbraw/zinc/73/25/71/402732571.db2.gz 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/nfs/dbraw/zinc/57/55/50/403575550.db2.gz ZVJBTKGKEZQYAL-UHFFFAOYSA-N 1 0 315.373 2.062 50 0 DEAARO Cc1cccc(NC(=O)[C@H](C)N2CC([NH+]3CCCCC3)C2)c1 ZINC000299787358 403575903 /nfs/dbraw/zinc/57/59/03/403575903.db2.gz URVYFFKGEUVBOZ-HNNXBMFYSA-N 1 0 301.434 2.492 50 0 DEAARO Cc1[nH]nc(C2CC2)c1C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000299802169 403579266 /nfs/dbraw/zinc/57/92/66/403579266.db2.gz XTTSFCQCOSNMOU-UHFFFAOYSA-N 1 0 302.422 2.201 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)CC2 ZINC000330186855 404577764 /nfs/dbraw/zinc/57/77/64/404577764.db2.gz KAJUVHOSFRTCBP-FRRDWIJNSA-N 1 0 324.494 2.249 50 0 DEAARO [NH3+]C1(CNC(=O)c2occc2COc2ccccc2)CCC1 ZINC000342616346 404679540 /nfs/dbraw/zinc/67/95/40/404679540.db2.gz HZYCLDCXOWNUDM-UHFFFAOYSA-N 1 0 300.358 2.470 50 0 DEAARO C[C@@H](CN1CCOCC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000367680129 405122603 /nfs/dbraw/zinc/12/26/03/405122603.db2.gz ZXQPMYGQUCNITM-INIZCTEOSA-N 1 0 303.450 2.057 50 0 DEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCCCCCC1 ZINC000426414249 405358519 /nfs/dbraw/zinc/35/85/19/405358519.db2.gz FYNSFGBSSBOVNA-HNNXBMFYSA-N 1 0 304.438 2.143 50 0 DEAARO OCCn1ccc([C@H]2CCC[N@H+](CCCC(F)(F)F)C2)n1 ZINC000426419658 405358814 /nfs/dbraw/zinc/35/88/14/405358814.db2.gz BNTDJYTZTZJUSP-LBPRGKRZSA-N 1 0 305.344 2.397 50 0 DEAARO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 ZINC000426382891 405355723 /nfs/dbraw/zinc/35/57/23/405355723.db2.gz IPVPCALUVQAQHK-NSHDSACASA-N 1 0 306.385 2.399 50 0 DEAARO CC(C)[NH+](CCNC(=O)N(C)[C@H](C)c1ccncn1)C(C)C ZINC000426477581 405362622 /nfs/dbraw/zinc/36/26/22/405362622.db2.gz OVPQIMRICXYUIR-CQSZACIVSA-N 1 0 307.442 2.298 50 0 DEAARO [NH3+]Cc1nnc(SC[C@H]2CCCOC2)n1Cc1ccccc1 ZINC000426501867 405364630 /nfs/dbraw/zinc/36/46/30/405364630.db2.gz OQVUOTCFPGGMIO-AWEZNQCLSA-N 1 0 318.446 2.304 50 0 DEAARO CCC[NH+](CCC)Cc1cc(C(=O)NC[C@@H]2CCCO2)no1 ZINC000583650493 405779704 /nfs/dbraw/zinc/77/97/04/405779704.db2.gz IJDCCACOPMRUNG-ZDUSSCGKSA-N 1 0 309.410 2.205 50 0 DEAARO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000583651527 405779939 /nfs/dbraw/zinc/77/99/39/405779939.db2.gz OKPMZVDIMNESRT-KGLIPLIRSA-N 1 0 304.438 2.236 50 0 DEAARO COCc1ncc(C)n1CCNC(=O)c1nccc2ccccc21 ZINC000575554434 406812345 /nfs/dbraw/zinc/81/23/45/406812345.db2.gz CVPOKWUVSWXZCR-UHFFFAOYSA-N 1 0 324.384 2.316 50 0 DEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1CO ZINC000575313166 406807135 /nfs/dbraw/zinc/80/71/35/406807135.db2.gz BYXDDBFOXNXQPA-ZIAGYGMSSA-N 1 0 322.474 2.012 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnsn2)[C@@H]1c1cccs1 ZINC000129724953 196071493 /nfs/dbraw/zinc/07/14/93/196071493.db2.gz NILKWJARXKZRNY-ZWNOBZJWSA-N 1 0 322.459 2.413 50 0 DEAARO CN(C(=O)/C=C/c1ccc2c(c1)CCO2)[C@@H]1C[NH+]2CCC1CC2 ZINC000408512902 227236029 /nfs/dbraw/zinc/23/60/29/227236029.db2.gz FLFXNRHFWFJEKB-NJELEJDNSA-N 1 0 312.413 2.187 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000299747624 229390021 /nfs/dbraw/zinc/39/00/21/229390021.db2.gz DKZVVRJIPFRDOY-ZENOOKHLSA-N 1 0 324.371 2.382 50 0 DEAARO O=C([C@H]1CCCC[NH2+]1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000299749400 229393413 /nfs/dbraw/zinc/39/34/13/229393413.db2.gz KETBCMRVSTWLDD-IAGOWNOFSA-N 1 0 320.408 2.240 50 0 DEAARO C[NH+](C)CC[C@H](NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1 ZINC000534648682 421694779 /nfs/dbraw/zinc/69/47/79/421694779.db2.gz BKIYRDUBNOZPQN-NSHDSACASA-N 1 0 321.812 2.068 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000046961119 424822689 /nfs/dbraw/zinc/82/26/89/424822689.db2.gz YSLHSYQPRRIKFS-ZDUSSCGKSA-N 1 0 300.406 2.415 50 0 DEAARO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C(N)=O)C3)n2)cc1F ZINC000048042259 424829815 /nfs/dbraw/zinc/82/98/15/424829815.db2.gz YICDXRLCZJCXNL-JQWIXIFHSA-N 1 0 318.352 2.052 50 0 DEAARO Cc1ncc(C[N@H+](C)C[C@@H](O)c2ccc3c(c2)OCO3)s1 ZINC000048235417 424831038 /nfs/dbraw/zinc/83/10/38/424831038.db2.gz NTUJRNJOTYZVMJ-CYBMUJFWSA-N 1 0 306.387 2.346 50 0 DEAARO CC1(C)CC(N2C(=O)c3ccccc3S2(=O)=O)CC(C)(C)[NH2+]1 ZINC000044644756 424813542 /nfs/dbraw/zinc/81/35/42/424813542.db2.gz ISJWOVUJHKLRCR-UHFFFAOYSA-N 1 0 322.430 2.140 50 0 DEAARO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000044909883 424813968 /nfs/dbraw/zinc/81/39/68/424813968.db2.gz FQCCTHFBANBZRU-AWEZNQCLSA-N 1 0 311.389 2.069 50 0 DEAARO Cc1csc(CC[NH2+]Cc2cnc3c(c2)c(C)nn3C)n1 ZINC000048353679 424833274 /nfs/dbraw/zinc/83/32/74/424833274.db2.gz VDUYCVPTXXMTLB-UHFFFAOYSA-N 1 0 301.419 2.374 50 0 DEAARO O=C(c1nc(Cl)ccc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101277848 424846465 /nfs/dbraw/zinc/84/64/65/424846465.db2.gz DBQIDSCDXAKRRQ-SNVBAGLBSA-N 1 0 312.200 2.475 50 0 DEAARO O=S(=O)(NCCC[NH+]1CC=CC1)c1c(F)cccc1Cl ZINC000102260967 424847752 /nfs/dbraw/zinc/84/77/52/424847752.db2.gz VOGZKZXZXVUYBE-UHFFFAOYSA-N 1 0 318.801 2.019 50 0 DEAARO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC2(CC1)OCCO2 ZINC000107312666 424849897 /nfs/dbraw/zinc/84/98/97/424849897.db2.gz DIZYSUQVDMSXTP-ZNMIVQPWSA-N 1 0 310.438 2.003 50 0 DEAARO O=C(c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000257197057 424888766 /nfs/dbraw/zinc/88/87/66/424888766.db2.gz ZIZLIQGLYOJJSM-OAHLLOKOSA-N 1 0 320.408 2.400 50 0 DEAARO CC(C)CNC(=O)[C@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257193519 424888924 /nfs/dbraw/zinc/88/89/24/424888924.db2.gz YPDFPPKOOWRPJO-SFHVURJKSA-N 1 0 304.434 2.033 50 0 DEAARO C[N@@H+]1C[C@@H]2CCCN(CCC(=O)Nc3cccc(F)c3)[C@@H]2C1 ZINC000425524355 269118210 /nfs/dbraw/zinc/11/82/10/269118210.db2.gz CSHQFTFFNBPPKB-XJKSGUPXSA-N 1 0 305.397 2.180 50 0 DEAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)n1cccn1 ZINC000069351271 274251753 /nfs/dbraw/zinc/25/17/53/274251753.db2.gz CWOBJPSMQZWYMV-OLZOCXBDSA-N 1 0 314.368 2.342 50 0 DEAARO [NH3+][C@H]1CCCCN(C(=O)c2nc3ccc(Cl)cn3c2F)C1 ZINC000082108942 274961658 /nfs/dbraw/zinc/96/16/58/274961658.db2.gz SJORMYLVWCKGAY-JTQLQIEISA-N 1 0 310.760 2.080 50 0 DEAARO C=Cc1ccc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000299777525 275753231 /nfs/dbraw/zinc/75/32/31/275753231.db2.gz NAZDTEZLXZSHSD-KRWDZBQOSA-N 1 0 303.406 2.250 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179812 276175014 /nfs/dbraw/zinc/17/50/14/276175014.db2.gz DSJSNJOHAOUPTL-HUUCEWRRSA-N 1 0 319.449 2.486 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237087923 277027158 /nfs/dbraw/zinc/02/71/58/277027158.db2.gz HAQVGYRCWUSLMX-LBPRGKRZSA-N 1 0 316.323 2.295 50 0 DEAARO CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000096440576 277283156 /nfs/dbraw/zinc/28/31/56/277283156.db2.gz DZTYNMMPUMOEIC-VNQPRFMTSA-N 1 0 309.454 2.260 50 0 DEAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000241634586 281357658 /nfs/dbraw/zinc/35/76/58/281357658.db2.gz PNQVDLGWMWYISZ-PZPWOCDFSA-N 1 0 315.479 2.342 50 0 DEAARO C[C@H](C(=O)NC1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069520278 289344700 /nfs/dbraw/zinc/34/47/00/289344700.db2.gz GFSQRHSKCKORIG-HZPDHXFCSA-N 1 0 307.482 2.242 50 0 DEAARO NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367464101 295048501 /nfs/dbraw/zinc/04/85/01/295048501.db2.gz PSSBRUYCDNUWBN-CQSZACIVSA-N 1 0 316.323 2.248 50 0 DEAARO O=S(=O)(c1ccccc1)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000015443664 304778366 /nfs/dbraw/zinc/77/83/66/304778366.db2.gz QDJNVLAMKGYDKO-UHFFFAOYSA-N 1 0 320.389 2.068 50 0 DEAARO COc1ccc([C@H](C[NH2+]Cc2cc[nH]c2)N2CCOCC2)cc1 ZINC000176824671 325750439 /nfs/dbraw/zinc/75/04/39/325750439.db2.gz DNAMKAPKUMTPTF-SFHVURJKSA-N 1 0 315.417 2.186 50 0 DEAARO O=C(c1ccc(-c2cccc3c2CC[NH2+]C3)o1)N1CCOCC1 ZINC000071758920 331922708 /nfs/dbraw/zinc/92/27/08/331922708.db2.gz DXENOKRFDAFUJF-UHFFFAOYSA-N 1 0 312.369 2.065 50 0 DEAARO Cc1cccc(OC2CN(C(=O)NCC[C@@H](C)[NH+](C)C)C2)c1 ZINC000534585959 334292086 /nfs/dbraw/zinc/29/20/86/334292086.db2.gz SYYXPMSSUDCRJG-CQSZACIVSA-N 1 0 305.422 2.108 50 0 DEAARO COc1ccc2c(c1)nc(C)cc2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000534586785 334292329 /nfs/dbraw/zinc/29/23/29/334292329.db2.gz NQDLFRWGRKFLHD-CYBMUJFWSA-N 1 0 313.401 2.363 50 0 DEAARO O=C(NCC1(C[NH+]2CCCC2)CC1)c1cc(Cl)c[nH]c1=O ZINC000534587824 334292793 /nfs/dbraw/zinc/29/27/93/334292793.db2.gz GVCLQAXIMVNLTQ-UHFFFAOYSA-N 1 0 309.797 2.046 50 0 DEAARO Cc1nnc2ncc(-c3ccc([C@@H](C)[NH+]4CCOCC4)cc3)cn12 ZINC000534591496 334294451 /nfs/dbraw/zinc/29/44/51/334294451.db2.gz ABUMCVURRQCIQZ-CYBMUJFWSA-N 1 0 323.400 2.493 50 0 DEAARO COc1ccccc1-c1cc(CNC(=O)C[C@H](C)[NH+](C)C)on1 ZINC000534635781 334309427 /nfs/dbraw/zinc/30/94/27/334309427.db2.gz DDQSADOBSUUOHE-LBPRGKRZSA-N 1 0 317.389 2.307 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000097097248 337382156 /nfs/dbraw/zinc/38/21/56/337382156.db2.gz WTLKQRYTHASPOY-CQSZACIVSA-N 1 0 301.434 2.141 50 0 DEAARO Nc1nc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000299762564 534744215 /nfs/dbraw/zinc/74/42/15/534744215.db2.gz XGQIAPPIWSXZBQ-UHFFFAOYSA-N 1 0 308.451 2.110 50 0 DEAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2ccccc2)[nH+]1 ZINC000065364623 526996878 /nfs/dbraw/zinc/99/68/78/526996878.db2.gz WYHKRCSMVZEFBP-UHFFFAOYSA-N 1 0 314.393 2.085 50 0 DEAARO O[C@@H](COc1ccccc1CN1CCCO1)C[NH+]1CCCCC1 ZINC000012058595 622908168 /nfs/dbraw/zinc/90/81/68/622908168.db2.gz VNKKOQDSGGTUBN-QGZVFWFLSA-N 1 0 320.433 2.050 50 0 DEAARO c1ccc(C[N@@H+]2CCCN(c3ncccn3)CCOCC2)cc1 ZINC000952995565 635228893 /nfs/dbraw/zinc/22/88/93/635228893.db2.gz QCBMNDBDNZRABD-UHFFFAOYSA-N 1 0 312.417 2.206 50 0 DEAARO COC(=O)C1(Oc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000205360890 635451012 /nfs/dbraw/zinc/45/10/12/635451012.db2.gz OANZBNULFBPDPR-UHFFFAOYSA-N 1 0 314.179 2.123 50 0 DEAARO O=C1C[C@@H](C[NH2+]CC2CCOCC2)CN1Cc1ccccc1 ZINC000179050048 638388232 /nfs/dbraw/zinc/38/82/32/638388232.db2.gz NSBDHUNXINMZOB-KRWDZBQOSA-N 1 0 302.418 2.051 50 0 DEAARO C[C@](O)(C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000848527862 647171564 /nfs/dbraw/zinc/17/15/64/647171564.db2.gz IVHBYNXJJZLHFI-IRXDYDNUSA-N 1 0 324.490 2.189 50 0 DEAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3cnn4cccnc34)c2O1 ZINC000067869156 683926013 /nfs/dbraw/zinc/92/60/13/683926013.db2.gz ABEHBZHMBKTDOC-LLVKDONJSA-N 1 0 300.749 2.312 50 0 DEAARO COc1nccc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1C#N ZINC000072477905 683928505 /nfs/dbraw/zinc/92/85/05/683928505.db2.gz SGNKRGHGVLEBKE-HNNXBMFYSA-N 1 0 323.400 2.433 50 0 DEAARO Cc1nnc2n1CC[C@H]([N@H+](C)Cc1ccc3c(c1)CCO3)CC2 ZINC000581801271 778234674 /nfs/dbraw/zinc/23/46/74/778234674.db2.gz BTZPBXHATAHZRB-MRXNPFEDSA-N 1 0 312.417 2.358 50 0 DEAARO Cc1nc(CO[C@@H]2CCC[N@H+](Cc3scnc3C)C2)no1 ZINC000675016466 778335452 /nfs/dbraw/zinc/33/54/52/778335452.db2.gz ISPLPDJILHWRFB-GFCCVEGCSA-N 1 0 308.407 2.324 50 0 DEAARO Cc1cnc(C2CCN(C(=O)C3CCCC3)CC2)n1CCO ZINC000675020094 778336815 /nfs/dbraw/zinc/33/68/15/778336815.db2.gz BABKQRXMDNUBBZ-UHFFFAOYSA-N 1 0 305.422 2.080 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccnnc3)C2)o1 ZINC000825198121 783620748 /nfs/dbraw/zinc/62/07/48/783620748.db2.gz YBTIBLGSPOUBJV-CQSZACIVSA-N 1 0 314.389 2.020 50 0 DEAARO O=C(NCC1CC[NH+](C[C@H]2CC=CCC2)CC1)c1ccon1 ZINC000828228763 783774413 /nfs/dbraw/zinc/77/44/13/783774413.db2.gz LUFZNYOVUSRRKV-HNNXBMFYSA-N 1 0 303.406 2.473 50 0 DEAARO CC[N@H+](C1CN(C(=O)C2CCCCC2)C1)C1CCN(C)CC1 ZINC000581799389 784778439 /nfs/dbraw/zinc/77/84/39/784778439.db2.gz WDBZCYIEDAMLHW-UHFFFAOYSA-N 1 0 307.482 2.194 50 0 DEAARO Cc1nnc([C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]2N(C)C)[nH]1 ZINC000581799201 784779748 /nfs/dbraw/zinc/77/97/48/784779748.db2.gz LQXXSVZPBLNBOQ-JKSUJKDBSA-N 1 0 305.470 2.413 50 0 DEAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2cn[nH]c2)C1 ZINC000584907049 789633957 /nfs/dbraw/zinc/63/39/57/789633957.db2.gz BKMRZPUUSRPRMH-GDBMZVCRSA-N 1 0 306.454 2.359 50 0 DEAARO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000585116700 789703507 /nfs/dbraw/zinc/70/35/07/789703507.db2.gz GDKOAUZTYWADOJ-IBGZPJMESA-N 1 0 324.380 2.044 50 0 DEAARO CCCCS(=O)(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000952986506 792866493 /nfs/dbraw/zinc/86/64/93/792866493.db2.gz YRBGWTSYPPQUQG-UHFFFAOYSA-N 1 0 311.451 2.032 50 0 DEAARO Cc1nc2sccc2c(NCC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000952988093 792867910 /nfs/dbraw/zinc/86/79/10/792867910.db2.gz AYWDEFPBTNOLFS-LBPRGKRZSA-N 1 0 306.435 2.258 50 0 DEAARO CCNC(=O)c1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000952987510 792868613 /nfs/dbraw/zinc/86/86/13/792868613.db2.gz MWVBKZDVUUWMRS-CYBMUJFWSA-N 1 0 309.797 2.170 50 0 DEAARO COCCN(C)CC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952990784 792872604 /nfs/dbraw/zinc/87/26/04/792872604.db2.gz ZBPRWYPUNRINIJ-UHFFFAOYSA-N 1 0 319.449 2.189 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]CCCO ZINC000693716641 794515846 /nfs/dbraw/zinc/51/58/46/794515846.db2.gz ZLAFFOUSGJNMMM-HZSPNIEDSA-N 1 0 312.454 2.383 50 0 DEAARO Cc1nn(C)cc1-c1ccnc(NCCC[NH+]2CCCC2)n1 ZINC000048066957 797086055 /nfs/dbraw/zinc/08/60/55/797086055.db2.gz HVFQCVNSRZFHBJ-UHFFFAOYSA-N 1 0 300.410 2.083 50 0 DEAARO CCCc1ccc(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)o1 ZINC001529150727 1070883763 /nfs/dbraw/zinc/88/37/63/1070883763.db2.gz AFBCMSPRTSDJOJ-CXAGYDPISA-N 1 0 301.390 2.058 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2O)[nH]n1 ZINC001529155459 1070888811 /nfs/dbraw/zinc/88/88/11/1070888811.db2.gz SXVJRTFSVRIANI-CRAIPNDOSA-N 1 0 310.401 2.235 50 0 DEAARO Cc1nc[nH]c1C[N@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001529168831 1070896213 /nfs/dbraw/zinc/89/62/13/1070896213.db2.gz NFTFVBPUQDUWQP-DNVCBOLYSA-N 1 0 322.412 2.302 50 0 DEAARO c1nnc([C@@H]2CCC[N@@H+](Cc3cc(-c4cccnc4)no3)C2)[nH]1 ZINC001506401311 1061938720 /nfs/dbraw/zinc/93/87/20/1061938720.db2.gz YYSYEDOKHDEPNY-CYBMUJFWSA-N 1 0 310.361 2.234 50 0 DEAARO C[C@H](CC(N)=O)[N@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC001506421830 1061966252 /nfs/dbraw/zinc/96/62/52/1061966252.db2.gz WENLVQHVSDHXCQ-SECBINFHSA-N 1 0 307.781 2.290 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@](O)([C@@H]([NH3+])c2ccc(F)cc2)C1 ZINC000958527483 1089047451 /nfs/dbraw/zinc/04/74/51/1089047451.db2.gz AETQVXZIENUXSI-XJKSGUPXSA-N 1 0 310.369 2.197 50 0 DEAARO CC[C@@](C)(CCNC(=O)N1CC[NH2+]CC1)c1ccccc1OC ZINC000822662311 1090641465 /nfs/dbraw/zinc/64/14/65/1090641465.db2.gz MTWVFKZNDWAMDZ-SFHVURJKSA-N 1 0 319.449 2.368 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](CN(C)Cc2nc(C(F)(F)F)no2)C1 ZINC000823719886 1090696103 /nfs/dbraw/zinc/69/61/03/1090696103.db2.gz WZTSVMYSEMKHRF-SNVBAGLBSA-N 1 0 306.332 2.251 50 0 DEAARO CCC[NH+]1CCC(CC(=O)N[C@H](CO)c2ccc(F)cc2)CC1 ZINC000095504561 185375255 /nfs/dbraw/zinc/37/52/55/185375255.db2.gz XZXHPBYSNVPKJO-QGZVFWFLSA-N 1 0 322.424 2.487 50 0 DEAARO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)[C@@H](n2cncn2)C1 ZINC000225410567 201702850 /nfs/dbraw/zinc/70/28/50/201702850.db2.gz NNZNWGITBQYIIL-OLMNPRSZSA-N 1 0 314.433 2.332 50 0 DEAARO O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000095531348 185378886 /nfs/dbraw/zinc/37/88/86/185378886.db2.gz WPUULAVCSYNCEV-MRXNPFEDSA-N 1 0 311.389 2.088 50 0 DEAARO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCN3C(=O)CCC3=O)C2)cc1 ZINC000278394300 214139393 /nfs/dbraw/zinc/13/93/93/214139393.db2.gz FIEURRUQYJEZSK-GDBMZVCRSA-N 1 0 300.402 2.322 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3c2cccc3F)C1 ZINC000195570364 282120372 /nfs/dbraw/zinc/12/03/72/282120372.db2.gz ZXNGAGFPNCGSPP-BLLLJJGKSA-N 1 0 305.397 2.406 50 0 DEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NC/C=C/c1ccccc1 ZINC000426421735 230795974 /nfs/dbraw/zinc/79/59/74/230795974.db2.gz FVKBUMZNKHLYMS-AUNFYEFLSA-N 1 0 324.428 2.180 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N(C)[C@H]2CCc3ccccc32)CC1 ZINC000079335585 185165498 /nfs/dbraw/zinc/16/54/98/185165498.db2.gz MIMQXSJMIRJIRF-SFHVURJKSA-N 1 0 315.461 2.160 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCC13CCCC3)CC2 ZINC000328801820 231351182 /nfs/dbraw/zinc/35/11/82/231351182.db2.gz AMABJROEHIIKTB-UONOGXRCSA-N 1 0 304.438 2.442 50 0 DEAARO CC(C)OC[C@@H](O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000096967991 185393964 /nfs/dbraw/zinc/39/39/64/185393964.db2.gz RACJWOLYXFXWFL-AWEZNQCLSA-N 1 0 301.814 2.437 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000089949034 185271132 /nfs/dbraw/zinc/27/11/32/185271132.db2.gz SWRQRLPZLOMWSV-HOCLYGCPSA-N 1 0 318.417 2.194 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000089949035 185271177 /nfs/dbraw/zinc/27/11/77/185271177.db2.gz SWRQRLPZLOMWSV-GDBMZVCRSA-N 1 0 318.417 2.194 50 0 DEAARO Cc1cn2c(nc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cc2=O)s1 ZINC000095392415 185351891 /nfs/dbraw/zinc/35/18/91/185351891.db2.gz IPQDCJDGKVUWMA-MRXNPFEDSA-N 1 0 319.430 2.067 50 0 DEAARO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000095405340 185355566 /nfs/dbraw/zinc/35/55/66/185355566.db2.gz VVEJWMOJTHTPSY-HOCLYGCPSA-N 1 0 319.453 2.141 50 0 DEAARO OC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000095433509 185364184 /nfs/dbraw/zinc/36/41/84/185364184.db2.gz CBTQEXUQLSGJHV-FZMZJTMJSA-N 1 0 314.223 2.187 50 0 DEAARO C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095448748 185368530 /nfs/dbraw/zinc/36/85/30/185368530.db2.gz ZNYBWBYKRPGUCO-SQWLQELKSA-N 1 0 309.454 2.260 50 0 DEAARO C[C@@H]1C[N@@H+](C2CCN(c3noc(C(C)(C)C)n3)CC2)CCO1 ZINC000095468698 185372249 /nfs/dbraw/zinc/37/22/49/185372249.db2.gz DTBSBLAQVLEJFJ-GFCCVEGCSA-N 1 0 308.426 2.057 50 0 DEAARO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000103342882 185447408 /nfs/dbraw/zinc/44/74/08/185447408.db2.gz VJQSBJJURHNWIQ-LLVKDONJSA-N 1 0 303.328 2.069 50 0 DEAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1-c1ccccc1 ZINC000084050497 539391883 /nfs/dbraw/zinc/39/18/83/539391883.db2.gz KAMRPCROACOCBT-AWEZNQCLSA-N 1 0 310.401 2.034 50 0 DEAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000299739908 530001304 /nfs/dbraw/zinc/00/13/04/530001304.db2.gz SPZNJTXTEWQULK-ZDUSSCGKSA-N 1 0 304.287 2.365 50 0 DEAARO Cn1c2c(nc1C1CC1)C[N@@H+](CCC(=O)N1CCCCC1)CC2 ZINC000084310845 539393987 /nfs/dbraw/zinc/39/39/87/539393987.db2.gz PPJSRYZDGFNYHB-UHFFFAOYSA-N 1 0 316.449 2.058 50 0 DEAARO COc1ncnc(N)c1C[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000085330281 539400138 /nfs/dbraw/zinc/40/01/38/539400138.db2.gz CNASUONYTSRPJQ-SNVBAGLBSA-N 1 0 322.796 2.278 50 0 DEAARO Cc1ccc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)s1 ZINC000223864466 539729173 /nfs/dbraw/zinc/72/91/73/539729173.db2.gz GCRLYRBPJUFHRK-UHFFFAOYSA-N 1 0 308.447 2.119 50 0 DEAARO COCCCC1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000219387175 539727455 /nfs/dbraw/zinc/72/74/55/539727455.db2.gz VNIPCSJXNOEKTN-UHFFFAOYSA-N 1 0 304.438 2.324 50 0 DEAARO O=C(NCc1cnn2ccccc12)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072129421 191042443 /nfs/dbraw/zinc/04/24/43/191042443.db2.gz LNDAKXDEALMFNQ-CQSZACIVSA-N 1 0 320.396 2.341 50 0 DEAARO CCCCn1c2ccccc2c(=O)n(CC[NH+](CC)CC)c1=O ZINC000140155039 186025494 /nfs/dbraw/zinc/02/54/94/186025494.db2.gz CEFNFXQEKVAWBA-UHFFFAOYSA-N 1 0 317.433 2.305 50 0 DEAARO COc1cccc(-n2cc(C[N@H+](C)C[C@H]3CCOC3)cn2)c1 ZINC000072163166 191064026 /nfs/dbraw/zinc/06/40/26/191064026.db2.gz WRAXWRHUUFQUOQ-CQSZACIVSA-N 1 0 301.390 2.349 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000072166311 191065005 /nfs/dbraw/zinc/06/50/05/191065005.db2.gz ZVSHDHLDAFIZOU-KRWDZBQOSA-N 1 0 306.381 2.325 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000072167014 191067003 /nfs/dbraw/zinc/06/70/03/191067003.db2.gz IKCLUNMVZDHWQK-INIZCTEOSA-N 1 0 321.446 2.148 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000072167522 191067364 /nfs/dbraw/zinc/06/73/64/191067364.db2.gz AEGKYQWZSHEDNQ-MRXNPFEDSA-N 1 0 312.417 2.429 50 0 DEAARO Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)n2)c(C)c1 ZINC000150720326 186059876 /nfs/dbraw/zinc/05/98/76/186059876.db2.gz OXQIQGKGCFWKOS-DGCLKSJQSA-N 1 0 317.414 2.088 50 0 DEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cocn2)CC1 ZINC000072410835 191153902 /nfs/dbraw/zinc/15/39/02/191153902.db2.gz DKFRHXFVIQPTTN-UHFFFAOYSA-N 1 0 313.401 2.454 50 0 DEAARO COc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072435444 191165980 /nfs/dbraw/zinc/16/59/80/191165980.db2.gz JTTTVZFSFQGKAH-QGZVFWFLSA-N 1 0 304.390 2.420 50 0 DEAARO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1OC(F)F ZINC000002792719 180957928 /nfs/dbraw/zinc/95/79/28/180957928.db2.gz BQRZRKQKLMXBPL-UHFFFAOYSA-N 1 0 314.332 2.121 50 0 DEAARO COc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc(OC)c1O ZINC000008553108 354013864 /nfs/dbraw/zinc/01/38/64/354013864.db2.gz HDZDEQQWQJQJPK-ISTRZQFTSA-N 1 0 307.390 2.365 50 0 DEAARO C[C@@H](C(=O)Nc1cccc2c1CCNC2=O)[NH+]1CCCCCC1 ZINC000334012792 283020110 /nfs/dbraw/zinc/02/01/10/283020110.db2.gz WJOXDCBYLVBHOU-ZDUSSCGKSA-N 1 0 315.417 2.176 50 0 DEAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)C)CCC2 ZINC000004600204 181129013 /nfs/dbraw/zinc/12/90/13/181129013.db2.gz WDMMCLYDTTXRQA-UHFFFAOYSA-N 1 0 310.419 2.350 50 0 DEAARO CN(Cc1cnn(C)c1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073471951 191319539 /nfs/dbraw/zinc/31/95/39/191319539.db2.gz LFTOQLFKUNPEKN-UHFFFAOYSA-N 1 0 312.417 2.288 50 0 DEAARO C[C@H](CCc1cccn1C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076088506 355125125 /nfs/dbraw/zinc/12/51/25/355125125.db2.gz ALAYQVRTZKSEKU-GDBMZVCRSA-N 1 0 318.465 2.130 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000078880322 355282234 /nfs/dbraw/zinc/28/22/34/355282234.db2.gz RELZFDZXODTRLG-YOEHRIQHSA-N 1 0 300.406 2.299 50 0 DEAARO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)o1 ZINC000078892088 355282846 /nfs/dbraw/zinc/28/28/46/355282846.db2.gz XBSNCQQVOCCXSR-GJZGRUSLSA-N 1 0 307.438 2.341 50 0 DEAARO CC(C)OC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccccc2F)CC1 ZINC000097228761 355703179 /nfs/dbraw/zinc/70/31/79/355703179.db2.gz GLVNZRGYBUMWCB-CVEARBPZSA-N 1 0 324.440 2.290 50 0 DEAARO C[C@H](C[NH2+]Cc1sccc1Br)N1CCOCC1 ZINC000097378271 355704910 /nfs/dbraw/zinc/70/49/10/355704910.db2.gz XWMXDBFJGZJMBT-SNVBAGLBSA-N 1 0 319.268 2.321 50 0 DEAARO Cc1ccnc([C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C2CC2)n1 ZINC000097376517 355705019 /nfs/dbraw/zinc/70/50/19/355705019.db2.gz KFNGYDVRNZSBOS-HOTGVXAUSA-N 1 0 314.433 2.227 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C)nc2)C[C@H]1CC ZINC000133051470 355854062 /nfs/dbraw/zinc/85/40/62/355854062.db2.gz LIVPSCMSFOBDAV-MRXNPFEDSA-N 1 0 320.437 2.355 50 0 DEAARO N[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000167771171 355978259 /nfs/dbraw/zinc/97/82/59/355978259.db2.gz QYDGHQIHFIUTIT-IAGOWNOFSA-N 1 0 301.434 2.163 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)c2ccccc2F)CC1 ZINC000169749121 355980402 /nfs/dbraw/zinc/98/04/02/355980402.db2.gz ZVCXVFHFVGVUEQ-AWEZNQCLSA-N 1 0 320.408 2.399 50 0 DEAARO O=C(NCCC[NH2+]Cc1cccnc1)c1ccnc(Cl)c1 ZINC000170676306 355990724 /nfs/dbraw/zinc/99/07/24/355990724.db2.gz CVGIUVFSQJFMSJ-UHFFFAOYSA-N 1 0 304.781 2.040 50 0 DEAARO C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000181172699 356074166 /nfs/dbraw/zinc/07/41/66/356074166.db2.gz GLBFIMZAANJDDD-OAHLLOKOSA-N 1 0 313.405 2.234 50 0 DEAARO Cc1nc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)sc1C ZINC000195572582 356258732 /nfs/dbraw/zinc/25/87/32/356258732.db2.gz QPEQBVKSKDVLIF-UHFFFAOYSA-N 1 0 310.467 2.386 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccno3)C2)nc1 ZINC000080926647 192203062 /nfs/dbraw/zinc/20/30/62/192203062.db2.gz XRZYADYVAOHAFJ-CYBMUJFWSA-N 1 0 300.362 2.229 50 0 DEAARO Cc1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(Cl)cc1F ZINC000237123562 202158420 /nfs/dbraw/zinc/15/84/20/202158420.db2.gz SUEHDUMCXVNGKV-UHFFFAOYSA-N 1 0 320.817 2.160 50 0 DEAARO O=C1CC[C@@H]([NH2+]CCCc2nc3cc(Cl)ccc3[nH]2)CCN1 ZINC000584886276 357324897 /nfs/dbraw/zinc/32/48/97/357324897.db2.gz ITGURISPVFJNCX-GFCCVEGCSA-N 1 0 320.824 2.407 50 0 DEAARO O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584892725 357328125 /nfs/dbraw/zinc/32/81/25/357328125.db2.gz RCOYMGBSABEBPG-ZDUSSCGKSA-N 1 0 318.421 2.123 50 0 DEAARO Cc1ncsc1CCN(C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000584895955 357328999 /nfs/dbraw/zinc/32/89/99/357328999.db2.gz UBFSIUPLGNNBAC-LBPRGKRZSA-N 1 0 310.467 2.120 50 0 DEAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1ccc2[nH]ccc2c1 ZINC000584894227 357329100 /nfs/dbraw/zinc/32/91/00/357329100.db2.gz BMFGTMSQLXYBTM-MRXNPFEDSA-N 1 0 315.417 2.135 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000585137232 357337298 /nfs/dbraw/zinc/33/72/98/357337298.db2.gz NJDFTFZGUOMPCX-OAHLLOKOSA-N 1 0 311.813 2.260 50 0 DEAARO COc1ccccc1N1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000585141327 357338715 /nfs/dbraw/zinc/33/87/15/357338715.db2.gz TZHUGJSWNYILMS-UHFFFAOYSA-N 1 0 312.417 2.431 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc3c2OCO3)N1 ZINC000054425997 283271165 /nfs/dbraw/zinc/27/11/65/283271165.db2.gz VFNBTQNWKAEGSQ-CQSZACIVSA-N 1 0 307.313 2.262 50 0 DEAARO CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)c1ccncc1 ZINC000187352525 200099835 /nfs/dbraw/zinc/09/98/35/200099835.db2.gz BVACDRKAZIQYMM-UHFFFAOYSA-N 1 0 318.465 2.485 50 0 DEAARO Cn1nccc1C1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237677200 202325397 /nfs/dbraw/zinc/32/53/97/202325397.db2.gz QLZILMDPRWZKOV-INIZCTEOSA-N 1 0 312.417 2.216 50 0 DEAARO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237682548 202327519 /nfs/dbraw/zinc/32/75/19/202327519.db2.gz DYYQBEPRBPEYCJ-VHSXEESVSA-N 1 0 302.296 2.032 50 0 DEAARO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC[NH2+]1 ZINC000188457225 200250249 /nfs/dbraw/zinc/25/02/49/200250249.db2.gz WTUCPBYCIWOGOO-SNVBAGLBSA-N 1 0 304.781 2.164 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237774758 202352678 /nfs/dbraw/zinc/35/26/78/202352678.db2.gz HANKDIWJZBNWHS-HBWSCVEGSA-N 1 0 324.428 2.323 50 0 DEAARO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000237887432 202378652 /nfs/dbraw/zinc/37/86/52/202378652.db2.gz SFOMPQMTKMIVHO-JSGCOSHPSA-N 1 0 306.381 2.323 50 0 DEAARO C[C@@H](CNC(=O)NCc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000242339277 202472204 /nfs/dbraw/zinc/47/22/04/202472204.db2.gz ZGNFEIHRUFHSGX-HNNXBMFYSA-N 1 0 319.449 2.099 50 0 DEAARO CC[NH+]1CCC(NCc2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000670440184 540933164 /nfs/dbraw/zinc/93/31/64/540933164.db2.gz GUSQGMDAZIOYFV-UHFFFAOYSA-N 1 0 302.344 2.378 50 0 DEAARO COc1cccc([C@@H]2CC[N@H+](CCc3nccn3C)C2)c1OC ZINC000670446515 540934778 /nfs/dbraw/zinc/93/47/78/540934778.db2.gz UYZCBZXTTFEMHN-CQSZACIVSA-N 1 0 315.417 2.469 50 0 DEAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C/C(C)=C\C(=O)OC)C1 ZINC000606446044 361009930 /nfs/dbraw/zinc/00/99/30/361009930.db2.gz HCSIGUPVWDLINQ-GTISMEIMSA-N 1 0 310.438 2.123 50 0 DEAARO Fc1cccc(OC[C@H]2CCC[N@H+](CCn3cnnc3)C2)c1 ZINC000670462268 540937475 /nfs/dbraw/zinc/93/74/75/540937475.db2.gz HUVVZJDHMAJZKR-AWEZNQCLSA-N 1 0 304.369 2.208 50 0 DEAARO FC(F)Cn1cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cn1 ZINC000292770744 223238147 /nfs/dbraw/zinc/23/81/47/223238147.db2.gz SPUMVMIYMPXOMF-DZGCQCFKSA-N 1 0 308.332 2.163 50 0 DEAARO CCC[C@@](CO)(C(=O)O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000006274347 181325148 /nfs/dbraw/zinc/32/51/48/181325148.db2.gz SFPFECOZWGGHKE-HKUYNNGSSA-N 1 0 317.429 2.354 50 0 DEAARO CCOc1cc(NC2CC[NH+](C[C@H]3CCC=CO3)CC2)ncn1 ZINC000194708529 201276029 /nfs/dbraw/zinc/27/60/29/201276029.db2.gz AVKIDWUDTLCIRJ-OAHLLOKOSA-N 1 0 318.421 2.444 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)sc1C ZINC000195555282 201409020 /nfs/dbraw/zinc/40/90/20/201409020.db2.gz CNHCQEFDWTWTAF-PWSUYJOCSA-N 1 0 302.465 2.113 50 0 DEAARO CCc1nc(C)sc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C2CC2)C1 ZINC000091426448 193054277 /nfs/dbraw/zinc/05/42/77/193054277.db2.gz WSFLDGILAGNMLP-OCCSQVGLSA-N 1 0 307.463 2.426 50 0 DEAARO O=C1NCCC[C@]12CC[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000091664030 193086789 /nfs/dbraw/zinc/08/67/89/193086789.db2.gz DSOKZUKQAKVQEM-MRXNPFEDSA-N 1 0 308.809 2.321 50 0 DEAARO CCOc1ncccc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000091663645 193087219 /nfs/dbraw/zinc/08/72/19/193087219.db2.gz OIGHDMVKTWHFEO-ZDUSSCGKSA-N 1 0 303.406 2.179 50 0 DEAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)ccc1F ZINC000091664364 193087248 /nfs/dbraw/zinc/08/72/48/193087248.db2.gz PRBJRBOULDPDHR-WBVHZDCISA-N 1 0 322.424 2.299 50 0 DEAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000091689968 193092010 /nfs/dbraw/zinc/09/20/10/193092010.db2.gz WSRLAUQUVNUXOO-UHFFFAOYSA-N 1 0 314.437 2.132 50 0 DEAARO Cc1cccc([C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)N(C)C)c1 ZINC000091726169 193097819 /nfs/dbraw/zinc/09/78/19/193097819.db2.gz YGHHUIGGWSSSKG-KRWDZBQOSA-N 1 0 315.461 2.200 50 0 DEAARO CCn1nc(CC(C)C)cc1C(=O)N[C@H]1C[N@H+](C)C[C@@H]1C1CC1 ZINC000091846746 193116872 /nfs/dbraw/zinc/11/68/72/193116872.db2.gz RWUYUUDQXZBZHI-CVEARBPZSA-N 1 0 318.465 2.172 50 0 DEAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC[C@@H](CCC(N)=O)C1 ZINC000092096869 193157475 /nfs/dbraw/zinc/15/74/75/193157475.db2.gz YOSUWNCDKOBXPJ-ZDUSSCGKSA-N 1 0 319.453 2.192 50 0 DEAARO COCC1(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000092096830 193157550 /nfs/dbraw/zinc/15/75/50/193157550.db2.gz RQLBTMSUDPDRNV-CVEARBPZSA-N 1 0 302.418 2.017 50 0 DEAARO Cc1c[nH]c(CN(C)c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)n1 ZINC000218868652 201545729 /nfs/dbraw/zinc/54/57/29/201545729.db2.gz HKKKGQICTMHKCJ-UHFFFAOYSA-N 1 0 312.421 2.227 50 0 DEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc3c(c1)COC3)C2 ZINC000092165014 193169910 /nfs/dbraw/zinc/16/99/10/193169910.db2.gz QNANBBNMVDYOBZ-JKSUJKDBSA-N 1 0 301.390 2.417 50 0 DEAARO C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093086825 193202319 /nfs/dbraw/zinc/20/23/19/193202319.db2.gz XOZGKDPZLOTTPA-ROUUACIJSA-N 1 0 319.493 2.361 50 0 DEAARO Cc1nc(Cl)cc(N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000096447424 193650723 /nfs/dbraw/zinc/65/07/23/193650723.db2.gz MRNPRIDBGWYPNI-ZDUSSCGKSA-N 1 0 324.856 2.376 50 0 DEAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000096487472 193667710 /nfs/dbraw/zinc/66/77/10/193667710.db2.gz XEWIAZVNUJACMK-OAHLLOKOSA-N 1 0 318.421 2.086 50 0 DEAARO COC(=O)c1c(C)[nH]c(C(=O)NCC[NH+](C(C)C)C(C)C)c1C ZINC000008745892 181582722 /nfs/dbraw/zinc/58/27/22/181582722.db2.gz JPGFFHWUAGOLCD-UHFFFAOYSA-N 1 0 323.437 2.267 50 0 DEAARO CCn1nc(C(=O)NC)c2c1CC[C@@H]([NH+]1CCCCCCC1)C2 ZINC000014744029 181968732 /nfs/dbraw/zinc/96/87/32/181968732.db2.gz QADXUNNRAQGWFT-CQSZACIVSA-N 1 0 318.465 2.386 50 0 DEAARO Cc1c(C[NH2+][C@@H]2CSC2(C)C)c(=O)n(-c2ccccc2)n1C ZINC000282909772 217318376 /nfs/dbraw/zinc/31/83/76/217318376.db2.gz UYHGBFYLEPBPQT-OAHLLOKOSA-N 1 0 317.458 2.468 50 0 DEAARO c1cc(C[NH2+][C@H]2COc3ccccc3C2)n(-c2ncccn2)c1 ZINC000019223049 182108000 /nfs/dbraw/zinc/10/80/00/182108000.db2.gz WEWJNEZZZYNDQK-OAHLLOKOSA-N 1 0 306.369 2.361 50 0 DEAARO O=C(CN1CC[NH2+]CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000019229934 182108864 /nfs/dbraw/zinc/10/88/64/182108864.db2.gz JWDAIUNVDRCROM-UHFFFAOYSA-N 1 0 321.730 2.203 50 0 DEAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cnc(SC)nc1)C2 ZINC000019228542 182109189 /nfs/dbraw/zinc/10/91/89/182109189.db2.gz BREOQCSDQBYEAK-ZDUSSCGKSA-N 1 0 317.414 2.300 50 0 DEAARO CS(=O)(=O)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019832047 182154920 /nfs/dbraw/zinc/15/49/20/182154920.db2.gz DABUJJYZWCHLDC-UHFFFAOYSA-N 1 0 322.474 2.290 50 0 DEAARO COc1ccc(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000020549625 182230188 /nfs/dbraw/zinc/23/01/88/182230188.db2.gz GPOXVJBSSAGADL-CQSZACIVSA-N 1 0 320.433 2.452 50 0 DEAARO C[NH+]1CCN([C@@H](CNC(=O)NC(C)(C)C)c2ccsc2)CC1 ZINC000022765447 182333412 /nfs/dbraw/zinc/33/34/12/182333412.db2.gz ZSHJIBRHCPCMGQ-AWEZNQCLSA-N 1 0 324.494 2.134 50 0 DEAARO [NH3+]CCN[C@@H](c1ccc(Br)cc1)c1ccccn1 ZINC000022917544 182340711 /nfs/dbraw/zinc/34/07/11/182340711.db2.gz NSWJPPGTILAHPP-AWEZNQCLSA-N 1 0 306.207 2.482 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000022922974 182341044 /nfs/dbraw/zinc/34/10/44/182341044.db2.gz WEZUQMVTROZEDN-QGZVFWFLSA-N 1 0 320.477 2.361 50 0 DEAARO CCc1ccc([C@H](CNC(=O)c2cnc(C)cn2)[NH+](C)C)cc1 ZINC000039975677 183026018 /nfs/dbraw/zinc/02/60/18/183026018.db2.gz OVBFBRGHCBXJCN-KRWDZBQOSA-N 1 0 312.417 2.380 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000040523363 183091198 /nfs/dbraw/zinc/09/11/98/183091198.db2.gz MENLNMNTDGFZMQ-GDBMZVCRSA-N 1 0 320.433 2.201 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000493264291 249264392 /nfs/dbraw/zinc/26/43/92/249264392.db2.gz UVCWSZCUYVEOJJ-ULJGCTHBSA-N 1 0 310.401 2.224 50 0 DEAARO Cc1nnc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000043412318 183361102 /nfs/dbraw/zinc/36/11/02/183361102.db2.gz IDRQGMKXVZDMEB-LBPRGKRZSA-N 1 0 323.397 2.410 50 0 DEAARO C[C@H]1CCCCN1c1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000106178377 194189104 /nfs/dbraw/zinc/18/91/04/194189104.db2.gz LGLYKUCWIPBZKP-GOEBONIOSA-N 1 0 316.449 2.284 50 0 DEAARO CC[C@@H](c1ccccc1)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000057860661 184058470 /nfs/dbraw/zinc/05/84/70/184058470.db2.gz IXKKRJNWSLOFGQ-SFHVURJKSA-N 1 0 315.461 2.378 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(O)c(Cl)c2)N1 ZINC000058243975 184093949 /nfs/dbraw/zinc/09/39/49/184093949.db2.gz WVVOXPHMJINVKK-ZDUSSCGKSA-N 1 0 313.748 2.492 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc([C@H](C)O)cc1)CN2 ZINC000058291770 184101539 /nfs/dbraw/zinc/10/15/39/184101539.db2.gz UNRJITIPAHRQKA-ZFWWWQNUSA-N 1 0 300.406 2.076 50 0 DEAARO COc1c(C[NH2+]Cc2ccccc2-n2ccnc2)c(C)nn1C ZINC000058299762 184102848 /nfs/dbraw/zinc/10/28/48/184102848.db2.gz GCNJUZHPIOAHRQ-UHFFFAOYSA-N 1 0 311.389 2.213 50 0 DEAARO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058404711 184113561 /nfs/dbraw/zinc/11/35/61/184113561.db2.gz DQJYMJAJFNYYCM-CHWSQXEVSA-N 1 0 314.426 2.148 50 0 DEAARO COc1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(C)nn1C ZINC000058405303 184113660 /nfs/dbraw/zinc/11/36/60/184113660.db2.gz NHQRBUOYSRAHJO-UHFFFAOYSA-N 1 0 311.389 2.213 50 0 DEAARO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058404710 184113763 /nfs/dbraw/zinc/11/37/63/184113763.db2.gz DQJYMJAJFNYYCM-QWHCGFSZSA-N 1 0 314.426 2.148 50 0 DEAARO Cc1nn(C)c(C)c1/C=C/C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000061553734 184174770 /nfs/dbraw/zinc/17/47/70/184174770.db2.gz FBOLIABRWZAMEL-VOTSOKGWSA-N 1 0 318.465 2.288 50 0 DEAARO CN(Cc1ccccc1Br)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894422 184258837 /nfs/dbraw/zinc/25/88/37/184258837.db2.gz GKGPFCIAAQITNT-CQSZACIVSA-N 1 0 311.223 2.407 50 0 DEAARO CCc1noc(CN(CC)C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000065385686 184333155 /nfs/dbraw/zinc/33/31/55/184333155.db2.gz UAAKKDWHIMMHRO-UHFFFAOYSA-N 1 0 308.426 2.101 50 0 DEAARO CCNc1cc(NCCNC(=O)C2CCCCC2)nc(C)[nH+]1 ZINC000065362769 184328287 /nfs/dbraw/zinc/32/82/87/184328287.db2.gz VMSDXUKEVWIRKZ-UHFFFAOYSA-N 1 0 305.426 2.325 50 0 DEAARO COc1ccccc1[C@H](O)C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000065464437 184349250 /nfs/dbraw/zinc/34/92/50/184349250.db2.gz ZYUZZFAJYGVKAC-CYBMUJFWSA-N 1 0 309.797 2.214 50 0 DEAARO COc1ccccc1[C@@H](O)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000065487477 184352735 /nfs/dbraw/zinc/35/27/35/184352735.db2.gz RULMLFNLGXBZPQ-HNNXBMFYSA-N 1 0 303.406 2.470 50 0 DEAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(NS(C)(=O)=O)CC2)o1 ZINC000065491400 184353785 /nfs/dbraw/zinc/35/37/85/184353785.db2.gz PPWOAKFRISHCAK-LBPRGKRZSA-N 1 0 314.451 2.095 50 0 DEAARO C[C@@H](CNC(=O)C1([NH+]2CCCC2)CCCC1)Oc1cccnc1 ZINC000065403514 184337348 /nfs/dbraw/zinc/33/73/48/184337348.db2.gz VEVHFCUHBHPKNZ-HNNXBMFYSA-N 1 0 317.433 2.374 50 0 DEAARO O=C(CC[NH2+]C[C@H](O)Cc1ccccc1)NC1CCCCC1 ZINC000065404166 184338219 /nfs/dbraw/zinc/33/82/19/184338219.db2.gz RIVWYXAQLJXOPJ-QGZVFWFLSA-N 1 0 304.434 2.019 50 0 DEAARO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)c2ccccc12 ZINC000065611148 184373097 /nfs/dbraw/zinc/37/30/97/184373097.db2.gz PGGYQKPDYYRWOJ-OAHLLOKOSA-N 1 0 300.402 2.269 50 0 DEAARO Cc1ccc(Cl)cc1N1CC[C@H](CNC2=[NH+]CCCN2)C1 ZINC000066246342 184398573 /nfs/dbraw/zinc/39/85/73/184398573.db2.gz ZXAMXYAXMKHGDI-CYBMUJFWSA-N 1 0 306.841 2.414 50 0 DEAARO COCc1ccc(C[NH2+]C[C@@H]2CNc3cc(C)nn3C2)cc1 ZINC000069491222 184519632 /nfs/dbraw/zinc/51/96/32/184519632.db2.gz OBVCEROXCDBPNQ-MRXNPFEDSA-N 1 0 300.406 2.169 50 0 DEAARO Cn1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000158582373 197285677 /nfs/dbraw/zinc/28/56/77/197285677.db2.gz PNHBQCONBAOPRN-NSHDSACASA-N 1 0 318.808 2.304 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)[C@H]1C[NH3+] ZINC000156862175 197146088 /nfs/dbraw/zinc/14/60/88/197146088.db2.gz QOJXPUAWVHPMJB-YPMHNXCESA-N 1 0 316.430 2.405 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000156706943 197134778 /nfs/dbraw/zinc/13/47/78/197134778.db2.gz NDIIWQNRYVUNRC-SNVBAGLBSA-N 1 0 302.296 2.267 50 0 DEAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2c[nH]nc21 ZINC000155331325 197043922 /nfs/dbraw/zinc/04/39/22/197043922.db2.gz RFUJWUNJEWSFLT-MRXNPFEDSA-N 1 0 322.412 2.466 50 0 DEAARO COc1ccc([C@H]([NH2+]CCOCCNC(C)=O)C(C)C)cc1 ZINC000408524294 533195642 /nfs/dbraw/zinc/19/56/42/533195642.db2.gz SACHAYOIWZEYQK-QGZVFWFLSA-N 1 0 308.422 2.135 50 0 DEAARO COc1ccc(Cl)cc1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370799916 257235718 /nfs/dbraw/zinc/23/57/18/257235718.db2.gz JQYKOFLKGXUWET-CQSZACIVSA-N 1 0 300.761 2.009 50 0 DEAARO Cc1csc(N2CCC(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)CC2)n1 ZINC000237584325 257238336 /nfs/dbraw/zinc/23/83/36/257238336.db2.gz UYPGMZBCBCLXLW-GXTWGEPZSA-N 1 0 322.478 2.006 50 0 DEAARO CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@H]([NH3+])C2)c1Cl ZINC000236733604 257239225 /nfs/dbraw/zinc/23/92/25/257239225.db2.gz MWJCVPHHQCKISS-FYJFLYSWSA-N 1 0 310.829 2.218 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237475876 257239595 /nfs/dbraw/zinc/23/95/95/257239595.db2.gz WZIGFEQVUVRLKQ-PWSUYJOCSA-N 1 0 316.323 2.422 50 0 DEAARO O=C(NCCC[N@@H+](CCO)C1CCC1)OCc1ccccc1 ZINC000521396485 257240459 /nfs/dbraw/zinc/24/04/59/257240459.db2.gz CYJDJNJDVVMKOS-UHFFFAOYSA-N 1 0 306.406 2.150 50 0 DEAARO COC(CC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1)OC ZINC000521396497 257240545 /nfs/dbraw/zinc/24/05/45/257240545.db2.gz JOUYDUPZRLCOEB-MRXNPFEDSA-N 1 0 316.442 2.278 50 0 DEAARO CC(C)O[C@H]1C[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C[C@@H]1O ZINC000072408225 257270745 /nfs/dbraw/zinc/27/07/45/257270745.db2.gz BLLXSMSYYLAOED-ROUUACIJSA-N 1 0 321.461 2.360 50 0 DEAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000252476956 533306274 /nfs/dbraw/zinc/30/62/74/533306274.db2.gz FPNCCUOFVTZAMH-LGNVQCELSA-N 1 0 309.498 2.198 50 0 DEAARO [NH3+]C1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CCCC1 ZINC000305183991 132607541 /nfs/dbraw/zinc/60/75/41/132607541.db2.gz WTLQRNLABSGGLL-MRXNPFEDSA-N 1 0 320.408 2.369 50 0 DEAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000346271440 146051433 /nfs/dbraw/zinc/05/14/33/146051433.db2.gz DVYCFTRXEXOBFY-SJORKVTESA-N 1 0 301.434 2.380 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+][C@@H](C)CO)cc1 ZINC000185579156 292185987 /nfs/dbraw/zinc/18/59/87/292185987.db2.gz WUQYTLBGOOQQMI-BPUTZDHNSA-N 1 0 311.447 2.050 50 0 DEAARO Cc1cc(OCCOCC[N@H+](C)CCO)cc(C)c1Cl ZINC000002980639 401720954 /nfs/dbraw/zinc/72/09/54/401720954.db2.gz UFTCRLVUMPVXFE-UHFFFAOYSA-N 1 0 301.814 2.276 50 0 DEAARO CCOc1ccc2[nH]c3c(ncnc3N3CC[NH+](C)CC3)c2c1 ZINC000005215919 401728947 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CC[C@@H]1CN(CCOc2ccccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000072267427 401704948 /nfs/dbraw/zinc/70/49/48/401704948.db2.gz PMWIUKHJPSCSNG-IAGOWNOFSA-N 1 0 306.450 2.151 50 0 DEAARO Cc1nc(/C=C/C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000073368306 401717287 /nfs/dbraw/zinc/71/72/87/401717287.db2.gz NUXHGDJVAJIXNI-RGDDUWESSA-N 1 0 324.446 2.365 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cn2)CC1 ZINC000014109656 401806971 /nfs/dbraw/zinc/80/69/71/401806971.db2.gz WDSZCOONHJTQRD-CQSZACIVSA-N 1 0 300.406 2.128 50 0 DEAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000014138074 401807383 /nfs/dbraw/zinc/80/73/83/401807383.db2.gz ULNVSILHVJHWQS-CQSZACIVSA-N 1 0 315.417 2.484 50 0 DEAARO Cc1ccc([C@H](CNC(=O)c2ccc(C)[nH]c2=O)[NH+](C)C)cc1 ZINC000075124624 401750475 /nfs/dbraw/zinc/75/04/75/401750475.db2.gz LBOCDKMHPQAMHP-INIZCTEOSA-N 1 0 313.401 2.024 50 0 DEAARO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1OC ZINC000008593741 401754165 /nfs/dbraw/zinc/75/41/65/401754165.db2.gz 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401785046 /nfs/dbraw/zinc/78/50/46/401785046.db2.gz PRSOKTOCHJPNBN-KVFOQLRZSA-N 1 0 323.477 2.442 50 0 DEAARO O=C1C[C@H]([NH2+]Cc2cccnc2)CN1CCCc1ccccc1 ZINC000012434452 401785580 /nfs/dbraw/zinc/78/55/80/401785580.db2.gz MVZIAQLZHRQBRX-SFHVURJKSA-N 1 0 309.413 2.405 50 0 DEAARO C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000012429954 401785675 /nfs/dbraw/zinc/78/56/75/401785675.db2.gz YMAUIVLKGKUGKU-GFCCVEGCSA-N 1 0 314.788 2.272 50 0 DEAARO CC(=O)N[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000012620322 401788641 /nfs/dbraw/zinc/78/86/41/401788641.db2.gz DGHVWDZLJMQGNG-KRWDZBQOSA-N 1 0 317.433 2.382 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1ccc2n[nH]nc2c1)c1cccs1 ZINC000012814174 401792163 /nfs/dbraw/zinc/79/21/63/401792163.db2.gz YMFITXCAVYWOED-CYBMUJFWSA-N 1 0 315.402 2.052 50 0 DEAARO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1C(C)C ZINC000077485514 401816823 /nfs/dbraw/zinc/81/68/23/401816823.db2.gz IGIKBPPGJIKBIK-JKSUJKDBSA-N 1 0 318.417 2.050 50 0 DEAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(C)o1 ZINC000025325268 401833179 /nfs/dbraw/zinc/83/31/79/401833179.db2.gz MOGILYJRRLENAT-UHFFFAOYSA-N 1 0 314.389 2.296 50 0 DEAARO COc1cccc(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000027117846 401843731 /nfs/dbraw/zinc/84/37/31/401843731.db2.gz IBWBBOJCFYXXHB-UHFFFAOYSA-N 1 0 317.433 2.194 50 0 DEAARO CC(C)[NH+]1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 ZINC000029287685 401855593 /nfs/dbraw/zinc/85/55/93/401855593.db2.gz JPQMLTZAVJTUSR-UHFFFAOYSA-N 1 0 314.433 2.438 50 0 DEAARO O=C([C@H](C[NH2+]Cc1ccco1)c1ccccc1)N1CCOCC1 ZINC000078553754 401855685 /nfs/dbraw/zinc/85/56/85/401855685.db2.gz FIFZTSNXGKNWDW-QGZVFWFLSA-N 1 0 314.385 2.012 50 0 DEAARO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1CC1 ZINC000029912403 401859626 /nfs/dbraw/zinc/85/96/26/401859626.db2.gz VZADGHFJMUNQFY-UHFFFAOYSA-N 1 0 322.206 2.441 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)Cn1cccn1)O[C@H](C)C2 ZINC000030904459 401867133 /nfs/dbraw/zinc/86/71/33/401867133.db2.gz VOIANIOZHFSWHI-QWHCGFSZSA-N 1 0 301.390 2.393 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)Cn2cccn2)c(OC)c1OC ZINC000030904375 401867289 /nfs/dbraw/zinc/86/72/89/401867289.db2.gz JTBKDOGFOGMWOL-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO CCN(C)C(=O)c1ccc(N2CC([N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000077385556 401813435 /nfs/dbraw/zinc/81/34/35/401813435.db2.gz JWRMXRHKKYPQHD-AWEZNQCLSA-N 1 0 316.449 2.237 50 0 DEAARO O=C1N(C[C@@H]2CCCCO2)c2ccccc2NC12CC[NH2+]CC2 ZINC000077394519 401813949 /nfs/dbraw/zinc/81/39/49/401813949.db2.gz PDBRWQSCNAUIRJ-AWEZNQCLSA-N 1 0 315.417 2.136 50 0 DEAARO CC(C)C[NH+]1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 ZINC000014961126 401814439 /nfs/dbraw/zinc/81/44/39/401814439.db2.gz ORUDQGKCULVNPK-UHFFFAOYSA-N 1 0 319.453 2.243 50 0 DEAARO Cn1cc([C@](C)(O)C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000130043142 401816434 /nfs/dbraw/zinc/81/64/34/401816434.db2.gz WDRLIRPRTUFYGV-CYZMBNFOSA-N 1 0 305.344 2.338 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000041028141 401927019 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COc1ccc2cc(C[NH2+]C[C@@H]3CN(C)CCO3)ccc2c1 ZINC000069384217 402220943 /nfs/dbraw/zinc/22/09/43/402220943.db2.gz AYXUVVKJWNJPMK-GOSISDBHSA-N 1 0 300.402 2.269 50 0 DEAARO CCCCn1nc(C)c(C[NH2+]C[C@@H]2CN(C)CCO2)c1Cl ZINC000069389911 402221982 /nfs/dbraw/zinc/22/19/82/402221982.db2.gz RUXIMNCNNNESCR-CYBMUJFWSA-N 1 0 314.861 2.065 50 0 DEAARO COc1c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C(C)C)nn1C ZINC000069417283 402222382 /nfs/dbraw/zinc/22/23/82/402222382.db2.gz MVSYIVHMZHCGGZ-LSDHHAIUSA-N 1 0 306.454 2.269 50 0 DEAARO CCC[N@H+](CCO)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000106925179 402223314 /nfs/dbraw/zinc/22/33/14/402223314.db2.gz LINPGTIMZINRHF-CJNGLKHVSA-N 1 0 315.841 2.483 50 0 DEAARO C[C@@H]1C[N@H+](CC2CCCCC2)CCN1c1ccc2nncn2n1 ZINC000069458490 402224646 /nfs/dbraw/zinc/22/46/46/402224646.db2.gz PUNUMGNQOJETJK-CQSZACIVSA-N 1 0 314.437 2.215 50 0 DEAARO COc1ccccc1CC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000069454877 402224838 /nfs/dbraw/zinc/22/48/38/402224838.db2.gz UJORKSYZYDGXBG-UHFFFAOYSA-N 1 0 304.434 2.428 50 0 DEAARO C[C@](O)(C[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000069508733 402227280 /nfs/dbraw/zinc/22/72/80/402227280.db2.gz LAGFCZIIFSAOBX-AWEZNQCLSA-N 1 0 303.324 2.370 50 0 DEAARO CCN(CC)C(=O)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000069517654 402228175 /nfs/dbraw/zinc/22/81/75/402228175.db2.gz PWXUJVYYSNZZMG-UHFFFAOYSA-N 1 0 319.449 2.127 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000107323700 402230178 /nfs/dbraw/zinc/23/01/78/402230178.db2.gz VBQPMKVHVFXMFV-MRVWCRGKSA-N 1 0 308.426 2.312 50 0 DEAARO Cc1ccc([C@H](CNC(=O)c2cccn2C)[NH+]2CCCC2)o1 ZINC000069536641 402230309 /nfs/dbraw/zinc/23/03/09/402230309.db2.gz SAIFMCKLQKMNCB-HNNXBMFYSA-N 1 0 301.390 2.493 50 0 DEAARO Cn1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000069626718 402235054 /nfs/dbraw/zinc/23/50/54/402235054.db2.gz MRTJZIXGCXINSO-QGZVFWFLSA-N 1 0 312.417 2.459 50 0 DEAARO Cn1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000069626717 402235072 /nfs/dbraw/zinc/23/50/72/402235072.db2.gz MRTJZIXGCXINSO-KRWDZBQOSA-N 1 0 312.417 2.459 50 0 DEAARO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1OC(F)F ZINC000069652796 402236551 /nfs/dbraw/zinc/23/65/51/402236551.db2.gz RJEPGFIEPNTTAE-VIFPVBQESA-N 1 0 300.305 2.187 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000069663492 402237845 /nfs/dbraw/zinc/23/78/45/402237845.db2.gz SKCCJRMBGXTQEX-UHFFFAOYSA-N 1 0 304.390 2.016 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000069701266 402239314 /nfs/dbraw/zinc/23/93/14/402239314.db2.gz VVBKKPVXVLXXSX-LBPRGKRZSA-N 1 0 316.434 2.227 50 0 DEAARO Cc1ccccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000069708791 402240499 /nfs/dbraw/zinc/24/04/99/402240499.db2.gz ZNZHEYKVDCVFDR-QGZVFWFLSA-N 1 0 315.461 2.237 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000069739181 402241597 /nfs/dbraw/zinc/24/15/97/402241597.db2.gz CDQCAZDGCMSHDW-KURKYZTESA-N 1 0 320.408 2.334 50 0 DEAARO O=C(CC[N@@H+]1CCC[C@H]1Cn1cccn1)N1CCc2ccccc21 ZINC000069741352 402241717 /nfs/dbraw/zinc/24/17/17/402241717.db2.gz QLTBFMOKAFWIIW-KRWDZBQOSA-N 1 0 324.428 2.327 50 0 DEAARO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069773666 402243201 /nfs/dbraw/zinc/24/32/01/402243201.db2.gz RQMFFABPISTCTQ-GFCCVEGCSA-N 1 0 315.402 2.408 50 0 DEAARO CC(C)C[N@H+](CCc1ncc(-c2ccccc2)o1)CC(N)=O ZINC000069812933 402245386 /nfs/dbraw/zinc/24/53/86/402245386.db2.gz DYZHWBLCKSNISU-UHFFFAOYSA-N 1 0 301.390 2.327 50 0 DEAARO Cc1cccn2cc(CC(=O)NCC[N@H+]3CCC[C@@H](C)C3)nc12 ZINC000069814922 402245553 /nfs/dbraw/zinc/24/55/53/402245553.db2.gz FQMSNBSJVRUWHM-CQSZACIVSA-N 1 0 314.433 2.033 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000069818888 402245577 /nfs/dbraw/zinc/24/55/77/402245577.db2.gz MEWRWFXYTALVDD-LLVKDONJSA-N 1 0 319.268 2.273 50 0 DEAARO Cc1nc(CN2CCC[C@@H]([NH2+]CCOc3ccccc3)C2)no1 ZINC000069819942 402246320 /nfs/dbraw/zinc/24/63/20/402246320.db2.gz AGAJLHBTHMNKKU-OAHLLOKOSA-N 1 0 316.405 2.011 50 0 DEAARO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncnc3ccccc32)CC1 ZINC000069901436 402250137 /nfs/dbraw/zinc/25/01/37/402250137.db2.gz UMKXJXMFKAFPDI-CQSZACIVSA-N 1 0 314.433 2.159 50 0 DEAARO CCCCNC(=O)C1CC[NH+]([C@H](CCC)C(=O)OCC)CC1 ZINC000069921222 402251275 /nfs/dbraw/zinc/25/12/75/402251275.db2.gz GVEKGGBBKQFRGR-OAHLLOKOSA-N 1 0 312.454 2.347 50 0 DEAARO C[C@@H](c1ccccc1Br)N1CC[NH+](CCO)CC1 ZINC000069928241 402251667 /nfs/dbraw/zinc/25/16/67/402251667.db2.gz WOPJWLSVITUYKX-LBPRGKRZSA-N 1 0 313.239 2.120 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000069952222 402253152 /nfs/dbraw/zinc/25/31/52/402253152.db2.gz TVNDYFWHEHUGJK-CQSZACIVSA-N 1 0 309.373 2.346 50 0 DEAARO CCS(=O)(=O)NCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000068801547 402206095 /nfs/dbraw/zinc/20/60/95/402206095.db2.gz YXXUANZPMSPCLJ-AWEZNQCLSA-N 1 0 302.415 2.052 50 0 DEAARO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)NCc1ccccc1 ZINC000069077898 402212837 /nfs/dbraw/zinc/21/28/37/402212837.db2.gz 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/nfs/dbraw/zinc/28/52/15/402285215.db2.gz NRUHIMJRTSBVBD-UHFFFAOYSA-N 1 0 316.445 2.254 50 0 DEAARO CC[N@H+](Cc1cnc(NC[C@H]2CCCO2)nc1)C1CCOCC1 ZINC000216253314 402287941 /nfs/dbraw/zinc/28/79/41/402287941.db2.gz GYXNGFJYGRXGGZ-MRXNPFEDSA-N 1 0 320.437 2.068 50 0 DEAARO COCCCN(Cc1ccccc1OC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000216429579 402288535 /nfs/dbraw/zinc/28/85/35/402288535.db2.gz NORVSDMMOTWGTR-GOEBONIOSA-N 1 0 320.433 2.188 50 0 DEAARO CCn1nc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000219632303 402299097 /nfs/dbraw/zinc/29/90/97/402299097.db2.gz QEUWEEFYHZVKFM-CYBMUJFWSA-N 1 0 300.406 2.014 50 0 DEAARO Cc1csc([C@H](C)NC(=O)CSCC[NH+]2CCCC2)n1 ZINC000220494979 402301451 /nfs/dbraw/zinc/30/14/51/402301451.db2.gz LEWMUOCKTMLGBK-LBPRGKRZSA-N 1 0 313.492 2.458 50 0 DEAARO CC(C)CNC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000221746604 402304794 /nfs/dbraw/zinc/30/47/94/402304794.db2.gz PEFAAPHKUISCGQ-IAGOWNOFSA-N 1 0 309.498 2.488 50 0 DEAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000221837958 402305157 /nfs/dbraw/zinc/30/51/57/402305157.db2.gz XGCWMIYEYJSFIF-DGCLKSJQSA-N 1 0 322.371 2.071 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000222167466 402306598 /nfs/dbraw/zinc/30/65/98/402306598.db2.gz AYLUXMJYXMGIJG-HUUCEWRRSA-N 1 0 311.470 2.317 50 0 DEAARO CCCc1nc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)cs1 ZINC000223290086 402310227 /nfs/dbraw/zinc/31/02/27/402310227.db2.gz SUKQUWRKFCFAMN-UHFFFAOYSA-N 1 0 318.450 2.285 50 0 DEAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000225399302 402316588 /nfs/dbraw/zinc/31/65/88/402316588.db2.gz AKAFXLJLZMQQAF-STQMWFEESA-N 1 0 322.371 2.194 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1F ZINC000225478798 402318348 /nfs/dbraw/zinc/31/83/48/402318348.db2.gz NFHHWZVBQAJSLA-AWEZNQCLSA-N 1 0 302.415 2.176 50 0 DEAARO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000229434622 402343557 /nfs/dbraw/zinc/34/35/57/402343557.db2.gz DWWHPCVQOUODLW-CVEARBPZSA-N 1 0 318.465 2.483 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000229579767 402344185 /nfs/dbraw/zinc/34/41/85/402344185.db2.gz HJUQFNZHSDORNE-DLBZAZTESA-N 1 0 301.386 2.036 50 0 DEAARO COCCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000229961166 402346164 /nfs/dbraw/zinc/34/61/64/402346164.db2.gz ZLOYBXUVPBZXIB-CVEARBPZSA-N 1 0 323.481 2.460 50 0 DEAARO Cc1ccc(C)n1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000226848003 402330137 /nfs/dbraw/zinc/33/01/37/402330137.db2.gz XGCLXCXDGFNQRH-IAGOWNOFSA-N 1 0 303.450 2.486 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000228341719 402337484 /nfs/dbraw/zinc/33/74/84/402337484.db2.gz VYOILTIPZJEJAF-PWSUYJOCSA-N 1 0 302.827 2.149 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C[C@H](C)O)cc1 ZINC000186212181 402410804 /nfs/dbraw/zinc/41/08/04/402410804.db2.gz WNOOPIIJSASNCD-BPUTZDHNSA-N 1 0 311.447 2.050 50 0 DEAARO C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000241587805 402443173 /nfs/dbraw/zinc/44/31/73/402443173.db2.gz OXGYFCKJIOXWCT-LMSBXDPUSA-N 1 0 316.445 2.438 50 0 DEAARO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000241301113 402443373 /nfs/dbraw/zinc/44/33/73/402443373.db2.gz LQJZUXXFNVCHRR-KGLIPLIRSA-N 1 0 311.813 2.031 50 0 DEAARO Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]([NH3+])CC(C)(C)C ZINC000244701084 402447762 /nfs/dbraw/zinc/44/77/62/402447762.db2.gz JZVGYGMNGPVULV-SNVBAGLBSA-N 1 0 320.359 2.090 50 0 DEAARO Cc1ccsc1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(N)n1 ZINC000244659565 402448168 /nfs/dbraw/zinc/44/81/68/402448168.db2.gz HEXSQEFZSQASPE-XYPYZODXSA-N 1 0 303.435 2.288 50 0 DEAARO Cc1ccsc1CN(C(=O)CN1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000244735039 402448791 /nfs/dbraw/zinc/44/87/91/402448791.db2.gz NRZZTFHBRMNXQK-OAHLLOKOSA-N 1 0 321.490 2.183 50 0 DEAARO COc1cccc(C)c1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000244734316 402448993 /nfs/dbraw/zinc/44/89/93/402448993.db2.gz 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/nfs/dbraw/zinc/54/89/72/402548972.db2.gz JRPYAEUXZJXMQC-ZLKJLUDKSA-N 1 0 323.234 2.360 50 0 DEAARO O[C@H](C[N@@H+]1CCC[C@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000247793021 402575931 /nfs/dbraw/zinc/57/59/31/402575931.db2.gz PIRBFAVZGTWXPV-XJKSGUPXSA-N 1 0 307.344 2.359 50 0 DEAARO O[C@@H](C[N@@H+]1CCCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000190377807 402596368 /nfs/dbraw/zinc/59/63/68/402596368.db2.gz ONPNNEVCKTTZQJ-AWEZNQCLSA-N 1 0 308.388 2.498 50 0 DEAARO CN(CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000249291866 402625158 /nfs/dbraw/zinc/62/51/58/402625158.db2.gz ALCAPYHHFOCNNY-HZPDHXFCSA-N 1 0 316.511 2.150 50 0 DEAARO OC[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000252527589 402657993 /nfs/dbraw/zinc/65/79/93/402657993.db2.gz CYTMOLJXGMPHCA-SZMVWBNQSA-N 1 0 305.418 2.415 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000252586810 402659001 /nfs/dbraw/zinc/65/90/01/402659001.db2.gz SSXGPZMHHWNQTO-UAGQMJEPSA-N 1 0 318.417 2.102 50 0 DEAARO CC(C)SCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000252499799 402656855 /nfs/dbraw/zinc/65/68/55/402656855.db2.gz SEQHKKVNTMZHJV-NSHDSACASA-N 1 0 302.465 2.126 50 0 DEAARO C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000257366343 402712749 /nfs/dbraw/zinc/71/27/49/402712749.db2.gz SSVSWCHHKNXWPW-OZBKYDQSSA-N 1 0 314.838 2.180 50 0 DEAARO C[C@H](C[C@H](O)c1ccco1)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253370249 402662987 /nfs/dbraw/zinc/66/29/87/402662987.db2.gz OFCDZPUMDSUEHF-QMIVOQANSA-N 1 0 308.422 2.469 50 0 DEAARO COc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)ccc1F ZINC000253399881 402663636 /nfs/dbraw/zinc/66/36/36/402663636.db2.gz DJMCEKPSRODNDV-AWEZNQCLSA-N 1 0 309.381 2.340 50 0 DEAARO C[C@@H]1CN(CC[NH+]2CCC(N(C)c3ccccc3)CC2)CCO1 ZINC000191542124 402677853 /nfs/dbraw/zinc/67/78/53/402677853.db2.gz HJPYDZCSAPEWHD-QGZVFWFLSA-N 1 0 317.477 2.308 50 0 DEAARO CCSc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc1 ZINC000191922723 402698463 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CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000084800924 286298288 /nfs/dbraw/zinc/29/82/88/286298288.db2.gz AXWPUSWNEJDLIY-IXDOHACOSA-N 1 0 308.466 2.382 50 0 DEAARO CCc1nc(C)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000342777399 403345744 /nfs/dbraw/zinc/34/57/44/403345744.db2.gz KTVDKHYJTLFRJS-INIZCTEOSA-N 1 0 318.465 2.429 50 0 DEAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cccc(=O)[nH]1 ZINC000299776682 403571625 /nfs/dbraw/zinc/57/16/25/403571625.db2.gz KJUPEZRNQWXLEA-CYBMUJFWSA-N 1 0 303.406 2.314 50 0 DEAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1Cl ZINC000299788081 403576096 /nfs/dbraw/zinc/57/60/96/403576096.db2.gz RMLMWDSLWPMNMO-ZDUSSCGKSA-N 1 0 323.824 2.108 50 0 DEAARO Cc1nc2cc(CC(=O)NCC(C)(C)C[NH+](C)C)ccc2[nH]1 ZINC000299795236 403577603 /nfs/dbraw/zinc/57/76/03/403577603.db2.gz MLGSZRWTNBFNIZ-UHFFFAOYSA-N 1 0 302.422 2.118 50 0 DEAARO O=C(NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1)c1ccccc1 ZINC000341286651 403885143 /nfs/dbraw/zinc/88/51/43/403885143.db2.gz 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[NH3+]C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000299740219 229374423 /nfs/dbraw/zinc/37/44/23/229374423.db2.gz XCRORFLRYOJPCE-AWEZNQCLSA-N 1 0 311.385 2.081 50 0 DEAARO CN(C)c1nc(NCC2CC[NH+](CC3CC3)CC2)ncc1F ZINC000534576046 421692537 /nfs/dbraw/zinc/69/25/37/421692537.db2.gz OPAHBODOOWRFSW-UHFFFAOYSA-N 1 0 307.417 2.216 50 0 DEAARO O=C(Nc1ccccc1)C1CC[NH+](CCCn2cncn2)CC1 ZINC000048374416 424833058 /nfs/dbraw/zinc/83/30/58/424833058.db2.gz WQDHERSWYLJCGK-UHFFFAOYSA-N 1 0 313.405 2.019 50 0 DEAARO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000044909887 424814034 /nfs/dbraw/zinc/81/40/34/424814034.db2.gz FQCCTHFBANBZRU-CQSZACIVSA-N 1 0 311.389 2.069 50 0 DEAARO CNC(=O)COc1ccc(C[NH2+]Cc2ccccc2OC)cc1 ZINC000048781906 424835518 /nfs/dbraw/zinc/83/55/18/424835518.db2.gz TUMJWHDOVZQPJG-UHFFFAOYSA-N 1 0 314.385 2.110 50 0 DEAARO CN1CC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000056216232 424839116 /nfs/dbraw/zinc/83/91/16/424839116.db2.gz MMZKEXQIZUZBHD-QAPCUYQASA-N 1 0 309.413 2.426 50 0 DEAARO COCC(=O)N[C@@H]1CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000257195680 424888808 /nfs/dbraw/zinc/88/88/08/424888808.db2.gz WQQWURBDZZVKQB-MRXNPFEDSA-N 1 0 320.408 2.333 50 0 DEAARO COc1cc2c(cc1F)ncnc2N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000302589947 274102170 /nfs/dbraw/zinc/10/21/70/274102170.db2.gz VTPRDISDRXUBMC-VXGBXAGGSA-N 1 0 316.380 2.450 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H]1COc3ccccc3C1)CN2 ZINC000065517683 274729795 /nfs/dbraw/zinc/72/97/95/274729795.db2.gz XPZAPOUUZWOCOT-GJZGRUSLSA-N 1 0 312.417 2.074 50 0 DEAARO C[NH+](C)[C@@H](CN1C(=O)[C@@H]2CCCCN2C1=O)c1cccs1 ZINC000170592401 276775511 /nfs/dbraw/zinc/77/55/11/276775511.db2.gz RBCAEDUTMPWZPL-RYUDHWBXSA-N 1 0 307.419 2.168 50 0 DEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000097553263 277226615 /nfs/dbraw/zinc/22/66/15/277226615.db2.gz RPVYUCDADRJGAE-DLBZAZTESA-N 1 0 302.418 2.318 50 0 DEAARO CC(C)(CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccccc1 ZINC000299779686 277295374 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Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000246820245 281370025 /nfs/dbraw/zinc/37/00/25/281370025.db2.gz SFALZMSMOAJHBX-ZOBUZTSGSA-N 1 0 302.418 2.283 50 0 DEAARO CC1=[NH+]CCNC2=C1[C@@H](c1cccnc1)N(c1ccccc1)C2=O ZINC000001404959 281698423 /nfs/dbraw/zinc/69/84/23/281698423.db2.gz MGIRQMQOVWUCIH-GOSISDBHSA-N 1 0 318.380 2.488 50 0 DEAARO CONC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095447160 293372068 /nfs/dbraw/zinc/37/20/68/293372068.db2.gz XMVQSWQSUBKVTH-MFKMUULPSA-N 1 0 315.776 2.333 50 0 DEAARO COc1cccc(OC)c1OC[C@@H](C)C[NH2+]C[C@H]1CCCO1 ZINC000004337774 295309915 /nfs/dbraw/zinc/30/99/15/295309915.db2.gz ZFYZNUCKNAWSDJ-UONOGXRCSA-N 1 0 309.406 2.487 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000237956723 295321976 /nfs/dbraw/zinc/32/19/76/295321976.db2.gz BKSWMVZLQHKEOY-YWPYICTPSA-N 1 0 308.809 2.367 50 0 DEAARO NC(=O)CN1CCC([NH2+][C@@H]2CCCSc3ccccc32)CC1 ZINC000096476545 303250302 /nfs/dbraw/zinc/25/03/02/303250302.db2.gz XTJYYLBEEDDVKW-OAHLLOKOSA-N 1 0 319.474 2.153 50 0 DEAARO COc1cc2c(cc1CNC(=O)N1CC[C@H]([NH+](C)C)C1)CCC2 ZINC000534587827 334292787 /nfs/dbraw/zinc/29/27/87/334292787.db2.gz LGYBDRKMZVZSFI-INIZCTEOSA-N 1 0 317.433 2.029 50 0 DEAARO Cc1ccccc1[C@H](CNC(=O)CCc1ccno1)[NH+](C)C ZINC000534592757 334294762 /nfs/dbraw/zinc/29/47/62/334294762.db2.gz KGYLEYAXLPRVKW-INIZCTEOSA-N 1 0 301.390 2.335 50 0 DEAARO CC[C@H](NC(=O)C[NH+]1CCCCCCC1)c1ncnn1CC ZINC000534653779 334312857 /nfs/dbraw/zinc/31/28/57/334312857.db2.gz PJDKZGRVIIIHEG-AWEZNQCLSA-N 1 0 307.442 2.131 50 0 DEAARO COc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1CO ZINC000097376535 337382706 /nfs/dbraw/zinc/38/27/06/337382706.db2.gz UIZQYLXDODFTKX-MRXNPFEDSA-N 1 0 304.390 2.000 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000299740177 533738934 /nfs/dbraw/zinc/73/89/34/533738934.db2.gz WQGRQOJXKVJCBN-ISWURRPUSA-N 1 0 302.418 2.385 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000299740178 533740106 /nfs/dbraw/zinc/74/01/06/533740106.db2.gz WQGRQOJXKVJCBN-OSMBCOQSSA-N 1 0 302.418 2.385 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000241897279 534118043 /nfs/dbraw/zinc/11/80/43/534118043.db2.gz TXGHUHMIVOIEGD-VHDGCEQUSA-N 1 0 320.458 2.451 50 0 DEAARO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000246564805 526924261 /nfs/dbraw/zinc/92/42/61/526924261.db2.gz UPIKAFQVVBICGM-GXTWGEPZSA-N 1 0 307.825 2.035 50 0 DEAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000242346867 528109288 /nfs/dbraw/zinc/10/92/88/528109288.db2.gz ZJUHQXQVLAXZSC-BPUTZDHNSA-N 1 0 302.422 2.107 50 0 DEAARO CC(C)[C@H](NC(=O)CN1CC[N@H+](C)C[C@H]1C)c1cccs1 ZINC000241287131 529084283 /nfs/dbraw/zinc/08/42/83/529084283.db2.gz LKEGPJMBZLPZAP-CJNGLKHVSA-N 1 0 309.479 2.197 50 0 DEAARO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000004951364 634770059 /nfs/dbraw/zinc/77/00/59/634770059.db2.gz WZLJZNUTVQMVLZ-CVEARBPZSA-N 1 0 310.397 2.476 50 0 DEAARO Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1N1CCCC1=O ZINC000320336037 635998911 /nfs/dbraw/zinc/99/89/11/635998911.db2.gz IGPJURSOGRMARA-UHFFFAOYSA-N 1 0 315.417 2.450 50 0 DEAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000012314663 636153104 /nfs/dbraw/zinc/15/31/04/636153104.db2.gz HSPRTTZJWBDPKP-CQSZACIVSA-N 1 0 320.433 2.442 50 0 DEAARO COC[C@@H](C)C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000187602943 639628675 /nfs/dbraw/zinc/62/86/75/639628675.db2.gz PHNRHRCODQZRIN-AWEZNQCLSA-N 1 0 321.417 2.336 50 0 DEAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000055292446 683922370 /nfs/dbraw/zinc/92/23/70/683922370.db2.gz LPZHAWATEQSUQQ-HNNXBMFYSA-N 1 0 312.417 2.238 50 0 DEAARO CCc1cc(N[C@@H](C)c2nncn2C)nc(N2CCCCC2)[nH+]1 ZINC000065460785 683923774 /nfs/dbraw/zinc/92/37/74/683923774.db2.gz RHASTAQRBNVVEM-LBPRGKRZSA-N 1 0 315.425 2.331 50 0 DEAARO Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000188431985 684356137 /nfs/dbraw/zinc/35/61/37/684356137.db2.gz UNYCVGCPWGWYDM-GOEBONIOSA-N 1 0 320.408 2.373 50 0 DEAARO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000189250370 684376638 /nfs/dbraw/zinc/37/66/38/684376638.db2.gz XDVLLIIPFSOPDL-SFHVURJKSA-N 1 0 314.429 2.467 50 0 DEAARO Cc1c[nH]c(CN2CCC[C@H](CNC(=O)c3ccsc3)C2)n1 ZINC000825116708 783616007 /nfs/dbraw/zinc/61/60/07/783616007.db2.gz JNDYMZIRUZZVEP-CYBMUJFWSA-N 1 0 318.446 2.422 50 0 DEAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1cccc(CO)c1 ZINC000828827570 783863053 /nfs/dbraw/zinc/86/30/53/783863053.db2.gz FNSKBGQPFHHNCK-AWEZNQCLSA-N 1 0 323.396 2.067 50 0 DEAARO CN1CCC[C@@H]1c1cc(C(=O)NC(C)(C)CCC[NH+](C)C)[nH]n1 ZINC000585121301 789707769 /nfs/dbraw/zinc/70/77/69/789707769.db2.gz LJCZPKJHELIGSX-OAHLLOKOSA-N 1 0 321.469 2.027 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1nccc2ccccc21 ZINC000952874844 792790419 /nfs/dbraw/zinc/79/04/19/792790419.db2.gz BXTQPKXWJXVDSC-GXTWGEPZSA-N 1 0 304.415 2.463 50 0 DEAARO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1cc(CO)cs1 ZINC000952964042 792811907 /nfs/dbraw/zinc/81/19/07/792811907.db2.gz LVBHVEGUYHRNTM-AATRIKPKSA-N 1 0 308.447 2.198 50 0 DEAARO CCc1ccc(C[NH2+]CCc2nc(-c3ccccn3)no2)nc1 ZINC000952964730 792813657 /nfs/dbraw/zinc/81/36/57/792813657.db2.gz BPJVJIUBAIQDHE-UHFFFAOYSA-N 1 0 309.373 2.421 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCN1CCCC[C@@H]1CO)CCC2 ZINC000952971134 792830229 /nfs/dbraw/zinc/83/02/29/792830229.db2.gz RDGSKKRNGUJSBA-GOSISDBHSA-N 1 0 318.461 2.120 50 0 DEAARO Cc1nc(SCC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)n[nH]1 ZINC000952978608 792844511 /nfs/dbraw/zinc/84/45/11/792844511.db2.gz RSUCTTIDULIHBR-ZDUSSCGKSA-N 1 0 321.425 2.213 50 0 DEAARO COc1ccccc1/C=C/C[NH2+]CCN1CCC[C@@H](CO)C1 ZINC000952969060 792851598 /nfs/dbraw/zinc/85/15/98/792851598.db2.gz RHUNOTOVZXHNRA-KZJSRBBCSA-N 1 0 304.434 2.002 50 0 DEAARO COc1cccc(Oc2ccc(NC(=O)[C@@H]([NH3+])[C@@H](C)O)cc2)c1 ZINC000952983478 792861623 /nfs/dbraw/zinc/86/16/23/792861623.db2.gz FPLQXBFWOQMUJD-BZNIZROVSA-N 1 0 316.357 2.134 50 0 DEAARO OC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(F)cc1Cl ZINC000952989651 792870303 /nfs/dbraw/zinc/87/03/03/792870303.db2.gz TZRUCBJHBVMUFW-AWEZNQCLSA-N 1 0 300.805 2.416 50 0 DEAARO c1ccc(C[N@@H+]2CCCN(c3cnccn3)CCOCC2)cc1 ZINC000952995509 792894425 /nfs/dbraw/zinc/89/44/25/792894425.db2.gz OBHVNETYVOAYRZ-UHFFFAOYSA-N 1 0 312.417 2.206 50 0 DEAARO CCc1c(C)noc1NC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC001529139018 1070876487 /nfs/dbraw/zinc/87/64/87/1070876487.db2.gz LKJGEDGEHQPHHQ-AWEZNQCLSA-N 1 0 303.362 2.063 50 0 DEAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1cc(=O)n2cccc(O)c2n1 ZINC001506399581 1061940785 /nfs/dbraw/zinc/94/07/85/1061940785.db2.gz OUDPMWLXHSTTTJ-OAHLLOKOSA-N 1 0 324.384 2.378 50 0 DEAARO c1nnc([C@H]2CCC[N@@H+](Cc3cc(-c4cccnc4)no3)C2)[nH]1 ZINC001506401332 1061940994 /nfs/dbraw/zinc/94/09/94/1061940994.db2.gz YYSYEDOKHDEPNY-ZDUSSCGKSA-N 1 0 310.361 2.234 50 0 DEAARO CC[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1F)[NH+](C)C ZINC001506398620 1061941752 /nfs/dbraw/zinc/94/17/52/1061941752.db2.gz USECHWQPSHIWKM-LBPRGKRZSA-N 1 0 322.833 2.239 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)c2ccc3[nH]cnc3c2)CC1 ZINC001506427054 1061972107 /nfs/dbraw/zinc/97/21/07/1061972107.db2.gz UUPOSQKTPOBMPY-UHFFFAOYSA-N 1 0 324.388 2.278 50 0 DEAARO CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccoc3)C2)cn1 ZINC000823602098 1090690927 /nfs/dbraw/zinc/69/09/27/1090690927.db2.gz GCPAMMONCNAHPG-CQSZACIVSA-N 1 0 316.405 2.138 50 0 DEAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1nccc(N)n1 ZINC000095526723 185378113 /nfs/dbraw/zinc/37/81/13/185378113.db2.gz JSAMBZUYCSISIZ-UHFFFAOYSA-N 1 0 311.433 2.407 50 0 DEAARO Cc1n[nH]c(C)c1CCN(C)C(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426496835 230800701 /nfs/dbraw/zinc/80/07/01/230800701.db2.gz HPGCYFWMTIQGME-CYBMUJFWSA-N 1 0 306.454 2.292 50 0 DEAARO CC(C)n1ncc2cc(C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)cnc21 ZINC000078895059 185124003 /nfs/dbraw/zinc/12/40/03/185124003.db2.gz JNTOHUZGFXLOTC-DOMZBBRYSA-N 1 0 315.421 2.034 50 0 DEAARO COc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000079065139 185152428 /nfs/dbraw/zinc/15/24/28/185152428.db2.gz OMKQCODRWHGYMA-SNVBAGLBSA-N 1 0 314.332 2.121 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc2c1OCO2 ZINC000092615956 185328860 /nfs/dbraw/zinc/32/88/60/185328860.db2.gz YYRAEECVURAJTD-CQSZACIVSA-N 1 0 304.390 2.094 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000082127671 192359434 /nfs/dbraw/zinc/35/94/34/192359434.db2.gz JMFZSAPSOPEPPH-AWEZNQCLSA-N 1 0 301.434 2.451 50 0 DEAARO CC(C)c1ccnc(NCC2(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000095390431 185351359 /nfs/dbraw/zinc/35/13/59/185351359.db2.gz QZCRVYYKBHHHLT-UHFFFAOYSA-N 1 0 303.454 2.040 50 0 DEAARO CCCn1ncnc1[C@H](C)NC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095392862 185351717 /nfs/dbraw/zinc/35/17/17/185351717.db2.gz KCRODSPPXLVDSP-AWEZNQCLSA-N 1 0 321.469 2.376 50 0 DEAARO Cc1cc(Cl)ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000095398678 185353415 /nfs/dbraw/zinc/35/34/15/185353415.db2.gz ZHVWLTBJUDWEAS-ZDUSSCGKSA-N 1 0 311.813 2.443 50 0 DEAARO CCC([NH3+])(CC)CNS(=O)(=O)c1cccc2cnccc21 ZINC000095431202 185363211 /nfs/dbraw/zinc/36/32/11/185363211.db2.gz LHHUKDBGXCYQQY-UHFFFAOYSA-N 1 0 307.419 2.031 50 0 DEAARO CSc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000095449133 185368304 /nfs/dbraw/zinc/36/83/04/185368304.db2.gz JPURZZBIDAXMJC-CYBMUJFWSA-N 1 0 310.488 2.462 50 0 DEAARO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCOC3)cc2)CC1 ZINC000095456267 185370090 /nfs/dbraw/zinc/37/00/90/185370090.db2.gz ISYFXAOPEKSFFU-KRWDZBQOSA-N 1 0 318.417 2.163 50 0 DEAARO Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000095469707 185372492 /nfs/dbraw/zinc/37/24/92/185372492.db2.gz ZHDQJBWZYRLVHJ-UHFFFAOYSA-N 1 0 321.340 2.153 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)CC2 ZINC000097033472 185399684 /nfs/dbraw/zinc/39/96/84/185399684.db2.gz FKJMXTMGISCMPH-USXIJHARSA-N 1 0 302.418 2.208 50 0 DEAARO CCOC(=O)N(C)C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000097034102 185399962 /nfs/dbraw/zinc/39/99/62/185399962.db2.gz KVSBNGINUFCOKZ-IRXDYDNUSA-N 1 0 318.417 2.197 50 0 DEAARO Cc1nc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)s1 ZINC000084062487 539392544 /nfs/dbraw/zinc/39/25/44/539392544.db2.gz YANQFUQRWPRJHI-DOMZBBRYSA-N 1 0 306.435 2.361 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)C1 ZINC000178995821 529992548 /nfs/dbraw/zinc/99/25/48/529992548.db2.gz IIIJBEZGPVQTRF-OLZOCXBDSA-N 1 0 310.825 2.484 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000090394194 539415653 /nfs/dbraw/zinc/41/56/53/539415653.db2.gz OOARXHPVXQGOAA-AAEUAGOBSA-N 1 0 318.446 2.468 50 0 DEAARO CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236675433 201959021 /nfs/dbraw/zinc/95/90/21/201959021.db2.gz XQAZZGBUNVINGQ-DOMZBBRYSA-N 1 0 308.397 2.345 50 0 DEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000169751654 539613451 /nfs/dbraw/zinc/61/34/51/539613451.db2.gz PKOSTCKDULJTSX-UHFFFAOYSA-N 1 0 316.405 2.024 50 0 DEAARO COc1cccc([C@H]2CCC[N@@H+]2CCCn2nnnc2C)c1 ZINC000072150658 191056252 /nfs/dbraw/zinc/05/62/52/191056252.db2.gz SJJZVPJIVFEXDD-MRXNPFEDSA-N 1 0 301.394 2.217 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(c2nc(-c3ccccc3)no2)CC1 ZINC000072166684 191066885 /nfs/dbraw/zinc/06/68/85/191066885.db2.gz BTIADWOMJLXHAS-QGZVFWFLSA-N 1 0 316.405 2.020 50 0 DEAARO c1ccc(Cc2noc(-c3ccc(N[C@H]4CC[NH2+]C4)nc3)n2)cc1 ZINC000072168785 191068845 /nfs/dbraw/zinc/06/88/45/191068845.db2.gz YYNJSUGXJRWHIZ-HNNXBMFYSA-N 1 0 321.384 2.496 50 0 DEAARO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccnc(N)c2)C1 ZINC000225616885 186283619 /nfs/dbraw/zinc/28/36/19/186283619.db2.gz NVBRTUQKXKUMJJ-GXTWGEPZSA-N 1 0 306.410 2.010 50 0 DEAARO CCN(C1CC[NH+](C[C@@H](C)CC(C)C)CC1)S(C)(=O)=O ZINC000225627898 186284578 /nfs/dbraw/zinc/28/45/78/186284578.db2.gz NKGIKXWXBQFWDQ-AWEZNQCLSA-N 1 0 304.500 2.415 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000237509991 186299768 /nfs/dbraw/zinc/29/97/68/186299768.db2.gz JGRCPUZWOROCKL-DZGCQCFKSA-N 1 0 312.417 2.380 50 0 DEAARO Cc1cnn([C@H](C)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000253378498 186302526 /nfs/dbraw/zinc/30/25/26/186302526.db2.gz HBBPNYWSUOOYMZ-OAHLLOKOSA-N 1 0 304.438 2.229 50 0 DEAARO COCc1ncc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)cn1 ZINC000072422849 191157840 /nfs/dbraw/zinc/15/78/40/191157840.db2.gz JNTDQWWJXWBKGM-UHFFFAOYSA-N 1 0 323.400 2.441 50 0 DEAARO C(Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2)[C@H]1CCOC1 ZINC000072463170 191173961 /nfs/dbraw/zinc/17/39/61/191173961.db2.gz OLRGNGRDMQPYKC-CYBMUJFWSA-N 1 0 316.449 2.271 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 ZINC000299753966 539859973 /nfs/dbraw/zinc/85/99/73/539859973.db2.gz BGJJKHUNBJXYKA-SGMGOOAPSA-N 1 0 319.409 2.355 50 0 DEAARO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccnc2)CC1 ZINC000072931262 191251747 /nfs/dbraw/zinc/25/17/47/191251747.db2.gz TYNOFGDTSPNRBY-UHFFFAOYSA-N 1 0 320.437 2.436 50 0 DEAARO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(O)CCCC3)cc21 ZINC000080655332 192177906 /nfs/dbraw/zinc/17/79/06/192177906.db2.gz GAIBWMVOFNHLRE-UHFFFAOYSA-N 1 0 315.417 2.447 50 0 DEAARO CC[NH+](CC)CCCNC(=O)CSc1nc(C)cc(C)n1 ZINC000003378627 181013448 /nfs/dbraw/zinc/01/34/48/181013448.db2.gz OEVZKRPKGVKIDV-UHFFFAOYSA-N 1 0 310.467 2.034 50 0 DEAARO CC[NH+](CC)CCCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004163107 181079964 /nfs/dbraw/zinc/07/99/64/181079964.db2.gz KYCPGUSJRYVRRB-UHFFFAOYSA-N 1 0 301.390 2.199 50 0 DEAARO CC(C)(C)[NH2+]C[C@H](O)COCCOc1ccc(Cl)cc1 ZINC000004279118 181091623 /nfs/dbraw/zinc/09/16/23/181091623.db2.gz ICXIHNYPZLKPRL-ZDUSSCGKSA-N 1 0 301.814 2.484 50 0 DEAARO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000004389303 181105863 /nfs/dbraw/zinc/10/58/63/181105863.db2.gz HZFYFSXQPFAKQP-CQSZACIVSA-N 1 0 302.340 2.164 50 0 DEAARO CCCOc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000061649218 354629838 /nfs/dbraw/zinc/62/98/38/354629838.db2.gz MUFBEPFNUIRUHM-DOTOQJQBSA-N 1 0 318.417 2.068 50 0 DEAARO c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cc2)c1 ZINC000069629530 354871307 /nfs/dbraw/zinc/87/13/07/354871307.db2.gz KWLWXODCXSINEV-QGZVFWFLSA-N 1 0 308.389 2.128 50 0 DEAARO CCC[NH2+]Cc1cc(OC)c(OCCO)cc1Br ZINC000004855681 181163934 /nfs/dbraw/zinc/16/39/34/181163934.db2.gz ZEUNCSFTZWNZOL-UHFFFAOYSA-N 1 0 318.211 2.328 50 0 DEAARO CN(Cc1cccs1)C(=O)C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000078972735 355288607 /nfs/dbraw/zinc/28/86/07/355288607.db2.gz AWYDFFOZFZVTJI-IMJJTQAJSA-N 1 0 322.474 2.452 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000078880264 355281945 /nfs/dbraw/zinc/28/19/45/355281945.db2.gz AVHDQNJCRGGLDN-DOTOQJQBSA-N 1 0 300.406 2.299 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000078880326 355282220 /nfs/dbraw/zinc/28/22/20/355282220.db2.gz RELZFDZXODTRLG-WMLDXEAASA-N 1 0 300.406 2.299 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000078897377 355284446 /nfs/dbraw/zinc/28/44/46/355284446.db2.gz ZCMOUTXKNIWPPL-DZGCQCFKSA-N 1 0 318.417 2.194 50 0 DEAARO C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 ZINC000078965922 355287891 /nfs/dbraw/zinc/28/78/91/355287891.db2.gz ARCYZJQEGLPBOY-CYBMUJFWSA-N 1 0 316.401 2.047 50 0 DEAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000097098569 355702423 /nfs/dbraw/zinc/70/24/23/355702423.db2.gz KVYFSADUAFVZAV-MANSERQUSA-N 1 0 322.493 2.306 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCOC1 ZINC000110612773 355743279 /nfs/dbraw/zinc/74/32/79/355743279.db2.gz ZCAVCVKHYBJBQU-WBVHZDCISA-N 1 0 302.418 2.146 50 0 DEAARO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000130336943 355841456 /nfs/dbraw/zinc/84/14/56/355841456.db2.gz LJEFEHFNLSCKAV-LBPRGKRZSA-N 1 0 316.854 2.020 50 0 DEAARO COc1cc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1F ZINC000130497261 355843380 /nfs/dbraw/zinc/84/33/80/355843380.db2.gz PNAXYKMLWPGBTD-QWHCGFSZSA-N 1 0 323.412 2.488 50 0 DEAARO [NH3+]C1CCC(NC(=O)c2ccccc2OC[C@H]2CCCO2)CC1 ZINC000131911881 355849313 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CCOc1ccccc1CN1CC[N@H+](C(C)C)[C@@H](CCO)C1 ZINC000020202973 182197298 /nfs/dbraw/zinc/19/72/98/182197298.db2.gz GUVGNOVRCLMCQS-KRWDZBQOSA-N 1 0 306.450 2.362 50 0 DEAARO CCOc1cc(C=O)ccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020325364 182207826 /nfs/dbraw/zinc/20/78/26/182207826.db2.gz JFOLEMVLPDKENN-UHFFFAOYSA-N 1 0 320.433 2.304 50 0 DEAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000020456580 182219486 /nfs/dbraw/zinc/21/94/86/182219486.db2.gz UVNJKMFQBMDDQK-MRXNPFEDSA-N 1 0 315.461 2.306 50 0 DEAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020639306 182241445 /nfs/dbraw/zinc/24/14/45/182241445.db2.gz HXPJNKCATMWUEW-UHFFFAOYSA-N 1 0 320.433 2.304 50 0 DEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)CN1C(C)C ZINC000020913222 182253740 /nfs/dbraw/zinc/25/37/40/182253740.db2.gz SOPPSMNIGDIESE-MSOLQXFVSA-N 1 0 317.477 2.497 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CCOC2)c(F)c1 ZINC000020781062 182246994 /nfs/dbraw/zinc/24/69/94/182246994.db2.gz 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/nfs/dbraw/zinc/34/13/20/182341320.db2.gz VNGPPNKOGGGUCT-INIZCTEOSA-N 1 0 308.466 2.183 50 0 DEAARO O=C([C@@H]1CCC[NH2+]1)N(Cc1nccs1)Cc1ccccc1 ZINC000055182604 284469865 /nfs/dbraw/zinc/46/98/65/284469865.db2.gz LDTHUHXEEAYEGA-AWEZNQCLSA-N 1 0 301.415 2.424 50 0 DEAARO Nc1cc(N)[nH+]c(SCCC(=O)Nc2ccccc2Cl)n1 ZINC000024831997 182392292 /nfs/dbraw/zinc/39/22/92/182392292.db2.gz DBMGXIHCHUKOAH-UHFFFAOYSA-N 1 0 323.809 2.415 50 0 DEAARO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccccc2F)C[C@@H](C)O1 ZINC000024989641 182397822 /nfs/dbraw/zinc/39/78/22/182397822.db2.gz OITMCHWUPWTIQX-CHWSQXEVSA-N 1 0 309.385 2.447 50 0 DEAARO Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1F ZINC000040526063 183091956 /nfs/dbraw/zinc/09/19/56/183091956.db2.gz OKCNVNUAIPTIDE-CQSZACIVSA-N 1 0 309.385 2.102 50 0 DEAARO COc1cccc([C@H](CNC(=O)c2scnc2C)[NH+](C)C)c1 ZINC000040533870 183094994 /nfs/dbraw/zinc/09/49/94/183094994.db2.gz UVARCUHJUBHXQM-AWEZNQCLSA-N 1 0 319.430 2.493 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000041028178 183157451 /nfs/dbraw/zinc/15/74/51/183157451.db2.gz DTQSVVFREUGURR-LLVKDONJSA-N 1 0 301.159 2.152 50 0 DEAARO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C/c2ccco2)C[C@H](C)O1 ZINC000041864693 183223110 /nfs/dbraw/zinc/22/31/10/183223110.db2.gz JGKQAZINPBVCJP-CWZTWBIVSA-N 1 0 306.406 2.297 50 0 DEAARO O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1CC[NH2+]C1CCCCC1 ZINC000104702094 194029625 /nfs/dbraw/zinc/02/96/25/194029625.db2.gz IERQTSBMCSZRRZ-UONOGXRCSA-N 1 0 310.825 2.426 50 0 DEAARO O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058328798 284745620 /nfs/dbraw/zinc/74/56/20/284745620.db2.gz XCKVFXQSGQBQMV-CQSZACIVSA-N 1 0 310.401 2.330 50 0 DEAARO COc1cccc(COCC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000046788317 183568342 /nfs/dbraw/zinc/56/83/42/183568342.db2.gz UQESHGYQHLSJBD-UHFFFAOYSA-N 1 0 320.433 2.202 50 0 DEAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@@H]1C ZINC000106525497 194225484 /nfs/dbraw/zinc/22/54/84/194225484.db2.gz AFXKAOSEWKZDMQ-LZLYRXPVSA-N 1 0 315.461 2.359 50 0 DEAARO C[C@@H](O)C[N@H+](CC(=O)N[C@H](C)c1ccco1)C1CCCCC1 ZINC000106772104 194250953 /nfs/dbraw/zinc/25/09/53/194250953.db2.gz VNLJBMSTFRHBDY-ZIAGYGMSSA-N 1 0 308.422 2.472 50 0 DEAARO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCOC(C)(C)C ZINC000057843660 184056971 /nfs/dbraw/zinc/05/69/71/184056971.db2.gz VLMLQUAVFBFUKJ-GFCCVEGCSA-N 1 0 314.451 2.142 50 0 DEAARO C[N@H+](CCCNC(=O)c1ccc(Cl)nn1)Cc1ccccc1 ZINC000057963364 184063910 /nfs/dbraw/zinc/06/39/10/184063910.db2.gz BJGCATRMPZEMFO-UHFFFAOYSA-N 1 0 318.808 2.382 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000058356590 184108517 /nfs/dbraw/zinc/10/85/17/184108517.db2.gz UVTFNELEJPNHRI-HNNXBMFYSA-N 1 0 318.417 2.404 50 0 DEAARO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058382373 184111312 /nfs/dbraw/zinc/11/13/12/184111312.db2.gz RBGWNKUPXQFMAR-MRXNPFEDSA-N 1 0 322.474 2.328 50 0 DEAARO COCc1cccc(C[NH2+]C[C@@H]2CNc3cc(C)nn3C2)c1 ZINC000058294415 184102110 /nfs/dbraw/zinc/10/21/10/184102110.db2.gz VZMUBXFNRDNOJW-MRXNPFEDSA-N 1 0 300.406 2.169 50 0 DEAARO OCCn1nccc1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000058297394 184102516 /nfs/dbraw/zinc/10/25/16/184102516.db2.gz IVROXBONSIYLCZ-UHFFFAOYSA-N 1 0 315.417 2.134 50 0 DEAARO O=C(COc1ccccc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058323516 184105064 /nfs/dbraw/zinc/10/50/64/184105064.db2.gz GEFOZHXOCPBQDL-AWEZNQCLSA-N 1 0 306.381 2.291 50 0 DEAARO C[N@H+](CCNC(=O)C1(c2cccc(F)c2)CCOCC1)C1CC1 ZINC000058858702 184130258 /nfs/dbraw/zinc/13/02/58/184130258.db2.gz FNJIDSAXGSIOSI-UHFFFAOYSA-N 1 0 320.408 2.084 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc2ccccc21 ZINC000058405632 184113645 /nfs/dbraw/zinc/11/36/45/184113645.db2.gz HDAITGTWJXXDKX-HZPDHXFCSA-N 1 0 310.397 2.433 50 0 DEAARO CC1CC[NH+](CCCNc2cncc(-n3cccn3)n2)CC1 ZINC000060881208 184157631 /nfs/dbraw/zinc/15/76/31/184157631.db2.gz YCSQEFFRZZXWED-UHFFFAOYSA-N 1 0 300.410 2.196 50 0 DEAARO CC(=O)c1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n(C)c1 ZINC000063723507 184287045 /nfs/dbraw/zinc/28/70/45/184287045.db2.gz HYJVYFDRIVGLFP-UHFFFAOYSA-N 1 0 305.422 2.174 50 0 DEAARO C[NH+](C)CCn1nnc2cc(-c3noc(-c4ccco4)n3)ccc21 ZINC000065254981 184318857 /nfs/dbraw/zinc/31/88/57/184318857.db2.gz PTMVPGZMSHXAIW-UHFFFAOYSA-N 1 0 324.344 2.303 50 0 DEAARO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000065287932 184322846 /nfs/dbraw/zinc/32/28/46/184322846.db2.gz MZPYVEPGYOJZHW-CQSZACIVSA-N 1 0 302.426 2.110 50 0 DEAARO CC(C)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000065493336 184354306 /nfs/dbraw/zinc/35/43/06/184354306.db2.gz VKKNIVOUEHTECF-QZTJIDSGSA-N 1 0 316.445 2.478 50 0 DEAARO Cc1nc2ncccc2cc1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065435269 184344630 /nfs/dbraw/zinc/34/46/30/184344630.db2.gz IXBVSTARNBWIJK-UHFFFAOYSA-N 1 0 324.428 2.496 50 0 DEAARO Cc1nccn1C[C@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000065468762 184350583 /nfs/dbraw/zinc/35/05/83/184350583.db2.gz KAKTWVMWOMGOSF-HNNXBMFYSA-N 1 0 313.449 2.229 50 0 DEAARO CCn1nc(C(C)C)cc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000065396380 184335497 /nfs/dbraw/zinc/33/54/97/184335497.db2.gz CKKJOZZWXLUESJ-AWEZNQCLSA-N 1 0 306.454 2.488 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000065610474 184373168 /nfs/dbraw/zinc/37/31/68/184373168.db2.gz RXEGXUDJHCMGIV-QZTJIDSGSA-N 1 0 314.429 2.158 50 0 DEAARO Cc1ccccc1OC[C@@H](O)CN1CC[NH+](CC(C)C)CC1 ZINC000065550919 184364170 /nfs/dbraw/zinc/36/41/70/184364170.db2.gz CMJWDRHIYXWVPM-KRWDZBQOSA-N 1 0 306.450 2.008 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC000065554744 184366077 /nfs/dbraw/zinc/36/60/77/184366077.db2.gz LDEQPFDWJFQBRV-LBPRGKRZSA-N 1 0 312.360 2.051 50 0 DEAARO O[C@H](COc1ccccc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065590173 184369956 /nfs/dbraw/zinc/36/99/56/184369956.db2.gz MWWLDMXWYHUCII-INIZCTEOSA-N 1 0 301.390 2.029 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000065855810 184380918 /nfs/dbraw/zinc/38/09/18/184380918.db2.gz WDGGHSFZKCFGAK-UHFFFAOYSA-N 1 0 304.438 2.215 50 0 DEAARO COc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)s1 ZINC000067675052 184477584 /nfs/dbraw/zinc/47/75/84/184477584.db2.gz REKDKQZHNNMPHV-LBPRGKRZSA-N 1 0 311.451 2.168 50 0 DEAARO Cc1ccc([C@H](CNC(=O)Nc2ccn(C)n2)[NH+](C)C)cc1 ZINC000069528163 184522982 /nfs/dbraw/zinc/52/29/82/184522982.db2.gz UGQHVXSKVOLPIB-AWEZNQCLSA-N 1 0 301.394 2.153 50 0 DEAARO c1cc2n(n1)C[C@H](C[NH2+]C[C@@H]1CCN(c3ccccc3)C1)CN2 ZINC000069490370 184519503 /nfs/dbraw/zinc/51/95/03/184519503.db2.gz NVNAANUVDAYOEL-JKSUJKDBSA-N 1 0 311.433 2.041 50 0 DEAARO COCC[N@@H+]1C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C(C)C)C1 ZINC000091320463 285063239 /nfs/dbraw/zinc/06/32/39/285063239.db2.gz DBMHXXMEHBDBRH-NEPJUHHUSA-N 1 0 310.360 2.048 50 0 DEAARO OC[C@H]1C=C[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000156264058 197099574 /nfs/dbraw/zinc/09/95/74/197099574.db2.gz GULYZPNIXKSICO-IINYFYTJSA-N 1 0 324.218 2.411 50 0 DEAARO [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000155581482 197069310 /nfs/dbraw/zinc/06/93/10/197069310.db2.gz NMGMOLACLDIZEE-CQSZACIVSA-N 1 0 304.390 2.095 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000237108510 257239851 /nfs/dbraw/zinc/23/98/51/257239851.db2.gz KCUBAKLOSTWGAT-ZIAGYGMSSA-N 1 0 306.406 2.111 50 0 DEAARO COc1ccnc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1OC ZINC000190408698 145042197 /nfs/dbraw/zinc/04/21/97/145042197.db2.gz GBVZFYALRWMURL-LBPRGKRZSA-N 1 0 302.378 2.202 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000261748978 145222687 /nfs/dbraw/zinc/22/26/87/145222687.db2.gz MMPSCFHAEIGZPS-WMLDXEAASA-N 1 0 324.428 2.275 50 0 DEAARO CCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004122556 401725537 /nfs/dbraw/zinc/72/55/37/401725537.db2.gz AIIWLPUCVPPIIY-UHFFFAOYSA-N 1 0 320.462 2.052 50 0 DEAARO Nc1cc(N)[nH+]c(SCc2cc(Cl)cc3c2OCOC3)n1 ZINC000006831842 401733326 /nfs/dbraw/zinc/73/33/26/401733326.db2.gz FNKJCPBYWGVLGD-UHFFFAOYSA-N 1 0 324.793 2.453 50 0 DEAARO O=C(CCc1nc2ccccc2s1)NCC[NH+]1CCCC1 ZINC000007435824 401740129 /nfs/dbraw/zinc/74/01/29/401740129.db2.gz YKPWVPULVNIOGR-UHFFFAOYSA-N 1 0 303.431 2.441 50 0 DEAARO COCC[N@@H+]1CCN(C[C@H](O)c2ccccc2Cl)C[C@@H]1C ZINC000071864783 401688715 /nfs/dbraw/zinc/68/87/15/401688715.db2.gz MMZHZFBKWFIVQB-BBRMVZONSA-N 1 0 312.841 2.026 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1F ZINC000071876342 401691032 /nfs/dbraw/zinc/69/10/32/401691032.db2.gz YDZWALQFDNFSSX-CJNGLKHVSA-N 1 0 304.369 2.005 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071881848 401691471 /nfs/dbraw/zinc/69/14/71/401691471.db2.gz SWPJOYPRTNTSGA-UHFFFAOYSA-N 1 0 315.417 2.005 50 0 DEAARO CC[C@H](O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000000238693 401691772 /nfs/dbraw/zinc/69/17/72/401691772.db2.gz WGYOXLHUEHBVOF-HOTGVXAUSA-N 1 0 323.433 2.364 50 0 biogenic DEAARO C[C@@H](O)C1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000071897305 401694071 /nfs/dbraw/zinc/69/40/71/401694071.db2.gz WOEWMPHWSYTUAJ-GFCCVEGCSA-N 1 0 310.825 2.049 50 0 DEAARO COC(=O)c1oc(C[N@H+](C)C2(CO)CCSCC2)cc1C ZINC000071897248 401694213 /nfs/dbraw/zinc/69/42/13/401694213.db2.gz LOGRBLHEDLMQLP-UHFFFAOYSA-N 1 0 313.419 2.065 50 0 DEAARO O[C@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000072253346 401704269 /nfs/dbraw/zinc/70/42/69/401704269.db2.gz MPVKSTNTUNHMKM-CZUORRHYSA-N 1 0 322.359 2.144 50 0 DEAARO CCc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000072311840 401708954 /nfs/dbraw/zinc/70/89/54/401708954.db2.gz BJYSTSSOLPSVNI-ZIAGYGMSSA-N 1 0 320.433 2.184 50 0 DEAARO CCN1C[C@@]2(CCC[N@H+](CCCn3ccnc3C)C2)CCC1=O ZINC000072408713 401709821 /nfs/dbraw/zinc/70/98/21/401709821.db2.gz QWRWAEPNKQEJND-SFHVURJKSA-N 1 0 318.465 2.306 50 0 DEAARO Cc1c(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nn1C ZINC000002778619 401718018 /nfs/dbraw/zinc/71/80/18/401718018.db2.gz OKQBPMSVCHRKSC-UHFFFAOYSA-N 1 0 312.845 2.421 50 0 DEAARO CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccc(C)cc1 ZINC000077354216 401811683 /nfs/dbraw/zinc/81/16/83/401811683.db2.gz WWENNYZZXUJXPE-RBUKOAKNSA-N 1 0 309.413 2.494 50 0 DEAARO CC[C@H](c1nnc(SCC[NH3+])n1Cc1ccccc1)N(C)C ZINC000008428545 401752835 /nfs/dbraw/zinc/75/28/35/401752835.db2.gz NVJILNXJONFRJX-CQSZACIVSA-N 1 0 319.478 2.390 50 0 DEAARO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000008706500 401755336 /nfs/dbraw/zinc/75/53/36/401755336.db2.gz YQFXQFNEYLNEMA-KBPBESRZSA-N 1 0 300.406 2.390 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2)C1 ZINC000010544022 401771111 /nfs/dbraw/zinc/77/11/11/401771111.db2.gz CKOSAIIGKVLWOD-HUUCEWRRSA-N 1 0 310.463 2.333 50 0 DEAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]C1CCC1 ZINC000011720477 401776063 /nfs/dbraw/zinc/77/60/63/401776063.db2.gz QBFNJHHWUZDRTR-SFHVURJKSA-N 1 0 308.466 2.452 50 0 DEAARO Cn1nccc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011879485 401777713 /nfs/dbraw/zinc/77/77/13/401777713.db2.gz RUVITJAGQBFJLA-OAHLLOKOSA-N 1 0 304.438 2.195 50 0 DEAARO Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC000076046367 401778605 /nfs/dbraw/zinc/77/86/05/401778605.db2.gz QNHSTCGFKJVNAP-HNNXBMFYSA-N 1 0 314.389 2.417 50 0 DEAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)NC(=O)NCC(C)C)c1 ZINC000014250038 401810712 /nfs/dbraw/zinc/81/07/12/401810712.db2.gz MECNFIULPMZUJR-AWEZNQCLSA-N 1 0 305.422 2.436 50 0 DEAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000014252395 401810733 /nfs/dbraw/zinc/81/07/33/401810733.db2.gz VPLZZAGNAFUNJZ-UHFFFAOYSA-N 1 0 310.463 2.456 50 0 DEAARO CC(C)(C)[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012703292 401790158 /nfs/dbraw/zinc/79/01/58/401790158.db2.gz KQGOAZPHIOTERT-QGZVFWFLSA-N 1 0 308.397 2.067 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)c1cccs1 ZINC000012814168 401792056 /nfs/dbraw/zinc/79/20/56/401792056.db2.gz YMFITXCAVYWOED-ZDUSSCGKSA-N 1 0 315.402 2.052 50 0 DEAARO COc1cccc([C@@H]2CCC[N@@H+]2CCN2CCC(O)CC2)c1 ZINC000020537924 401824301 /nfs/dbraw/zinc/82/43/01/401824301.db2.gz BDSAYMXVYKSBMI-SFHVURJKSA-N 1 0 304.434 2.289 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677005 401847124 /nfs/dbraw/zinc/84/71/24/401847124.db2.gz DSFWTEZGKDFQBK-ZDUSSCGKSA-N 1 0 307.419 2.315 50 0 DEAARO CCn1nccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000028236505 401850869 /nfs/dbraw/zinc/85/08/69/401850869.db2.gz SULOTRRGZIKAFR-QGZVFWFLSA-N 1 0 312.417 2.184 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCC(O)CC2)c2ccc(C)cc12 ZINC000028297085 401851393 /nfs/dbraw/zinc/85/13/93/401851393.db2.gz AZERWOZWNGDCMC-QGZVFWFLSA-N 1 0 316.445 2.384 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1nc3ccccc3nc1C)CC2 ZINC000078783573 401865792 /nfs/dbraw/zinc/86/57/92/401865792.db2.gz LEEIWLKXQCJDGJ-CYBMUJFWSA-N 1 0 322.416 2.197 50 0 DEAARO COc1ccc(C[NH2+]Cc2ccnc(N(C)C)c2)c(OC)c1 ZINC000030903121 401866458 /nfs/dbraw/zinc/86/64/58/401866458.db2.gz NHSJCHCTDUGGCL-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO C[NH+](C)C[C@@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn21 ZINC000079096120 401869726 /nfs/dbraw/zinc/86/97/26/401869726.db2.gz ATYRULJCVFQAEB-HNNXBMFYSA-N 1 0 322.416 2.322 50 0 DEAARO COc1ccc(-n2ccnc2CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000077423502 401815152 /nfs/dbraw/zinc/81/51/52/401815152.db2.gz CBQQSOOMGKDGQQ-WMLDXEAASA-N 1 0 312.417 2.017 50 0 DEAARO O=C(Cn1cccn1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000015067405 401815666 /nfs/dbraw/zinc/81/56/66/401815666.db2.gz AKEOGZHEECLWQG-MRXNPFEDSA-N 1 0 304.438 2.044 50 0 DEAARO O=C(C[N@@H+]1CCCC[C@@H]1CCc1cccs1)N1CCOCC1 ZINC000077455680 401815816 /nfs/dbraw/zinc/81/58/16/401815816.db2.gz RNECBEBMQVGKRN-OAHLLOKOSA-N 1 0 322.474 2.394 50 0 DEAARO CC(=O)Nc1nc(C(=O)NCC2([NH+](C)C)CCCCC2)cs1 ZINC000042379387 401933112 /nfs/dbraw/zinc/93/31/12/401933112.db2.gz GJQIIXMJFOYOEP-UHFFFAOYSA-N 1 0 324.450 2.096 50 0 DEAARO CCC12CN3CC(C)(CN(C1)C31CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]2O ZINC000031807917 401874038 /nfs/dbraw/zinc/87/40/38/401874038.db2.gz JRJSJTNALXNQSJ-NNGSBXSVSA-N 1 0 321.509 2.032 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000032270272 401877760 /nfs/dbraw/zinc/87/77/60/401877760.db2.gz DKYKFPSEXPNYET-LBPRGKRZSA-N 1 0 312.360 2.051 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000032758532 401882351 /nfs/dbraw/zinc/88/23/51/401882351.db2.gz XWIYVQRUHQXEFU-QGZVFWFLSA-N 1 0 321.461 2.489 50 0 DEAARO CCC[NH2+]Cc1nc(-c2cccc(C(=O)NC3CC3)c2)no1 ZINC000034925179 401894609 /nfs/dbraw/zinc/89/46/09/401894609.db2.gz RZJFBQKCIDYQEZ-UHFFFAOYSA-N 1 0 300.362 2.128 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000042907646 401935786 /nfs/dbraw/zinc/93/57/86/401935786.db2.gz FBTFQSHDHIUVQN-CQSZACIVSA-N 1 0 301.390 2.473 50 0 DEAARO CC(C)c1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)n(C)n1 ZINC000082098913 401899824 /nfs/dbraw/zinc/89/98/24/401899824.db2.gz UTEGOIYJRWZNOF-INIZCTEOSA-N 1 0 306.454 2.394 50 0 DEAARO c1cc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc2c1OCO2 ZINC000082096623 401899981 /nfs/dbraw/zinc/89/99/81/401899981.db2.gz BKQCYZDNMCLKKC-OAHLLOKOSA-N 1 0 319.401 2.276 50 0 DEAARO COCCC[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)C ZINC000036099434 401902620 /nfs/dbraw/zinc/90/26/20/401902620.db2.gz BDDJACAGJHJIQE-OAHLLOKOSA-N 1 0 301.452 2.373 50 0 DEAARO O=S(=O)(NC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000036286264 401903918 /nfs/dbraw/zinc/90/39/18/401903918.db2.gz FYWPBLZGPIWMLI-UHFFFAOYSA-N 1 0 309.218 2.024 50 0 DEAARO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(Cl)c1 ZINC000036300072 401904519 /nfs/dbraw/zinc/90/45/19/401904519.db2.gz NUPUOTCXVFRRCC-UHFFFAOYSA-N 1 0 302.827 2.021 50 0 DEAARO COc1cccc([C@@H](C)Sc2nnnn2CC[NH+](C)C)c1 ZINC000084656261 401908257 /nfs/dbraw/zinc/90/82/57/401908257.db2.gz DIRYWGLWUFQYBB-LLVKDONJSA-N 1 0 307.423 2.097 50 0 DEAARO COCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547399 401914949 /nfs/dbraw/zinc/91/49/49/401914949.db2.gz VVWIUQBKQBMNRO-HNNXBMFYSA-N 1 0 304.434 2.092 50 0 DEAARO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000038110494 401922169 /nfs/dbraw/zinc/92/21/69/401922169.db2.gz ZHNGJTIQOWCENQ-ZDUSSCGKSA-N 1 0 314.426 2.226 50 0 DEAARO C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc2C1)c1cnccn1 ZINC000089617352 401954029 /nfs/dbraw/zinc/95/40/29/401954029.db2.gz VNDNTIOXTVNDAC-OAHLLOKOSA-N 1 0 324.428 2.492 50 0 DEAARO CN1CC[N@H+](CCCNC(=O)C2CCC2)[C@H](c2ccccc2)C1 ZINC000046388204 401969619 /nfs/dbraw/zinc/96/96/19/401969619.db2.gz CGNYIONDJISFNZ-SFHVURJKSA-N 1 0 315.461 2.282 50 0 DEAARO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCn1cccn1 ZINC000089894549 401971619 /nfs/dbraw/zinc/97/16/19/401971619.db2.gz PGQCHDIIMPWNHG-ZDUSSCGKSA-N 1 0 304.369 2.419 50 0 DEAARO CC1CCC(O)(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000089925481 401973464 /nfs/dbraw/zinc/97/34/64/401973464.db2.gz QACTWYXRFZGBOI-HQVVEAJESA-N 1 0 321.465 2.107 50 0 DEAARO C[C@H](NC(=O)CN1CC[N@H+](C)C[C@H]1C)c1ccccc1Cl ZINC000089938954 401975678 /nfs/dbraw/zinc/97/56/78/401975678.db2.gz JVVYYUJEHGHBQW-OLZOCXBDSA-N 1 0 309.841 2.153 50 0 DEAARO Cc1c([C@H](C)NC(=O)N2CC[NH+](C3CCCC3)CC2)cnn1C ZINC000047005943 401977729 /nfs/dbraw/zinc/97/77/29/401977729.db2.gz UBKDKUMGKGBXFI-ZDUSSCGKSA-N 1 0 319.453 2.059 50 0 DEAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000090882526 401988311 /nfs/dbraw/zinc/98/83/11/401988311.db2.gz SBDPJYGTGUIFFF-LBPRGKRZSA-N 1 0 324.446 2.120 50 0 DEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000048040661 401992424 /nfs/dbraw/zinc/99/24/24/401992424.db2.gz YECBGHPTQFXTLG-UHFFFAOYSA-N 1 0 308.341 2.490 50 0 DEAARO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000091496893 401996204 /nfs/dbraw/zinc/99/62/04/401996204.db2.gz PSUSVKLYDMHRGI-ONGXEEELSA-N 1 0 322.352 2.124 50 0 DEAARO C[C@H](CN1CCOCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000091514227 401996224 /nfs/dbraw/zinc/99/62/24/401996224.db2.gz CIDXYTHWMKVANC-OAHLLOKOSA-N 1 0 323.868 2.183 50 0 DEAARO CC(=O)N1CC[N@H+](Cc2c(C)ccc3ccccc32)C[C@@H](O)C1 ZINC000091460005 401996226 /nfs/dbraw/zinc/99/62/26/401996226.db2.gz JXLFKIXAQRUPMJ-QGZVFWFLSA-N 1 0 312.413 2.173 50 0 DEAARO C[C@@H](CN1CCOCC1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000091531521 401996239 /nfs/dbraw/zinc/99/62/39/401996239.db2.gz XZEWJTNOOYIEMK-LPHOPBHVSA-N 1 0 318.461 2.153 50 0 DEAARO COCc1nccc([C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)n1 ZINC000089420449 401946286 /nfs/dbraw/zinc/94/62/86/401946286.db2.gz UYXLQDJIDHTTPT-CABCVRRESA-N 1 0 305.422 2.372 50 0 DEAARO O=C(C[C@H]1COCCN1C[C@@H](O)c1ccccc1)c1ccco1 ZINC000121043550 402012148 /nfs/dbraw/zinc/01/21/48/402012148.db2.gz MZOQHVBNQDVTED-DOTOQJQBSA-N 1 0 315.369 2.287 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000050245751 402026590 /nfs/dbraw/zinc/02/65/90/402026590.db2.gz YPTKIOPPAQAGSN-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO OCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000050274394 402026680 /nfs/dbraw/zinc/02/66/80/402026680.db2.gz YIGOCUSLXQGNEN-UHFFFAOYSA-N 1 0 302.340 2.205 50 0 DEAARO CCc1noc(CC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000095364593 402028526 /nfs/dbraw/zinc/02/85/26/402028526.db2.gz NNUSHJPSEINULN-UHFFFAOYSA-N 1 0 300.406 2.305 50 0 DEAARO Cc1c(Cl)cc(C(=O)NC[C@H]2C[NH2+]CCOC2)cc1Cl ZINC000095364353 402028603 /nfs/dbraw/zinc/02/86/03/402028603.db2.gz KVIMAAFYODOJMM-SNVBAGLBSA-N 1 0 317.216 2.268 50 0 DEAARO Cc1c(Cl)cc(C(=O)N2C[C@H]([NH3+])[C@@H](CCO)C2)cc1Cl ZINC000095376629 402029796 /nfs/dbraw/zinc/02/97/96/402029796.db2.gz LQEMYDAUJUZNAI-ZANVPECISA-N 1 0 317.216 2.084 50 0 DEAARO CCc1nc2n(n1)CCC[C@H]2NC1CC[NH+](CC(C)C)CC1 ZINC000095423691 402032687 /nfs/dbraw/zinc/03/26/87/402032687.db2.gz LNOKRIDPCLJFOS-OAHLLOKOSA-N 1 0 305.470 2.385 50 0 DEAARO CC(C)c1noc([C@H](C)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959551 402038067 /nfs/dbraw/zinc/03/80/67/402038067.db2.gz UCJULLUZBSBEKY-AWEZNQCLSA-N 1 0 322.453 2.298 50 0 DEAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@H]2CCSC2)C1=O ZINC000095968169 402038333 /nfs/dbraw/zinc/03/83/33/402038333.db2.gz QWZJWVIAXGSTMV-QWHCGFSZSA-N 1 0 306.431 2.286 50 0 DEAARO Brc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000095967908 402038611 /nfs/dbraw/zinc/03/86/11/402038611.db2.gz VIAOQOIXLJPNTJ-VXGBXAGGSA-N 1 0 311.223 2.406 50 0 DEAARO CC(C)COC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000095971065 402039239 /nfs/dbraw/zinc/03/92/39/402039239.db2.gz FEKNHGJYKOXMEU-QGZVFWFLSA-N 1 0 304.434 2.220 50 0 DEAARO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000095972694 402039273 /nfs/dbraw/zinc/03/92/73/402039273.db2.gz SMZPHJMOQPFCLU-HOTGVXAUSA-N 1 0 315.417 2.337 50 0 DEAARO O=C1NCCN1C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000052216268 402040753 /nfs/dbraw/zinc/04/07/53/402040753.db2.gz GPMHMRPSOKMCDP-UHFFFAOYSA-N 1 0 323.824 2.208 50 0 DEAARO CCNC(=O)N1CCC([NH2+]Cc2ccc(C)cc2N(C)C)CC1 ZINC000095986462 402042520 /nfs/dbraw/zinc/04/25/20/402042520.db2.gz KYNIBHQEIKIBKW-UHFFFAOYSA-N 1 0 318.465 2.345 50 0 DEAARO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)n[nH]c2C)ccc1F ZINC000095985223 402042540 /nfs/dbraw/zinc/04/25/40/402042540.db2.gz ZDQBBKXETIZVRT-SECBINFHSA-N 1 0 320.368 2.464 50 0 DEAARO CC(C)([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc(Cl)c1 ZINC000095985285 402042642 /nfs/dbraw/zinc/04/26/42/402042642.db2.gz PNSFKDRFIFUKTF-AWEZNQCLSA-N 1 0 310.825 2.148 50 0 DEAARO Cc1ccccc1[C@@H]([NH2+]CCN1C(=O)CNC1=O)C(C)(C)C ZINC000095985504 402042820 /nfs/dbraw/zinc/04/28/20/402042820.db2.gz DVLUVVWVNSFZKT-OAHLLOKOSA-N 1 0 303.406 2.224 50 0 DEAARO C[C@@H](CC1CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000095991529 402044020 /nfs/dbraw/zinc/04/40/20/402044020.db2.gz DNWBSLOPIOZLLO-HNNXBMFYSA-N 1 0 318.465 2.451 50 0 DEAARO CCC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000052584858 402044308 /nfs/dbraw/zinc/04/43/08/402044308.db2.gz JWFDOSMBPXPFHY-UHFFFAOYSA-N 1 0 308.422 2.240 50 0 DEAARO CCC[N@@H+](Cc1cc(=O)n2nc(CC)sc2n1)CC1CC1 ZINC000052891149 402048365 /nfs/dbraw/zinc/04/83/65/402048365.db2.gz GDZCEAASSTZEDZ-UHFFFAOYSA-N 1 0 306.435 2.335 50 0 DEAARO COCCOc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000053030818 402049993 /nfs/dbraw/zinc/04/99/93/402049993.db2.gz FGBQOQPQWHDVEB-OAHLLOKOSA-N 1 0 320.433 2.316 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCc1cnn(C)c1)O[C@H](C)C2 ZINC000048784520 402008002 /nfs/dbraw/zinc/00/80/02/402008002.db2.gz DYDBAABBESFQCF-GFCCVEGCSA-N 1 0 301.390 2.084 50 0 DEAARO CC(C)NC(=O)N(CC[NH+](C)C)Cc1cc(-c2ccco2)on1 ZINC000096210852 402070234 /nfs/dbraw/zinc/07/02/34/402070234.db2.gz AFPRZXJGXJGZBX-UHFFFAOYSA-N 1 0 320.393 2.416 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3ccc(F)cc3)c2N)CC1 ZINC000096281998 402076023 /nfs/dbraw/zinc/07/60/23/402076023.db2.gz PJAFDPLTOZYMHN-UHFFFAOYSA-N 1 0 301.369 2.007 50 0 DEAARO C[C@@H]1C[C@H](N(C)CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414944 402080967 /nfs/dbraw/zinc/08/09/67/402080967.db2.gz LAUZNIWSDPQBLC-NVXWUHKLSA-N 1 0 324.490 2.016 50 0 DEAARO C[C@@H](CNC(=O)N[C@H]1CCSC1)[N@H+](C)Cc1ccccc1 ZINC000096440064 402087068 /nfs/dbraw/zinc/08/70/68/402087068.db2.gz SMCBPMAJPKEPIC-ZFWWWQNUSA-N 1 0 307.463 2.312 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 ZINC000122612581 402087164 /nfs/dbraw/zinc/08/71/64/402087164.db2.gz DSVOUEJYKDNQRT-CYBMUJFWSA-N 1 0 311.223 2.202 50 0 DEAARO CNC(=O)[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000096443290 402088417 /nfs/dbraw/zinc/08/84/17/402088417.db2.gz WOVOEZZKMTVZIL-SFHVURJKSA-N 1 0 310.397 2.241 50 0 DEAARO CCc1cc(N2CCC([NH2+]Cc3cnn(CC)c3)CC2)ncn1 ZINC000096449359 402089933 /nfs/dbraw/zinc/08/99/33/402089933.db2.gz ZHOFQYVNSIXTJA-UHFFFAOYSA-N 1 0 314.437 2.014 50 0 DEAARO O[C@@H](CNc1cccc(F)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000096453419 402090999 /nfs/dbraw/zinc/09/09/99/402090999.db2.gz KSKSYFIVASHDAZ-HNNXBMFYSA-N 1 0 301.365 2.052 50 0 DEAARO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000096478056 402094018 /nfs/dbraw/zinc/09/40/18/402094018.db2.gz ALPSXBROMPTHAP-HIFRSBDPSA-N 1 0 315.417 2.085 50 0 DEAARO C[NH+](C)CCS[C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486229 402095284 /nfs/dbraw/zinc/09/52/84/402095284.db2.gz DMQGQXGCUWWLFO-NSHDSACASA-N 1 0 317.252 2.270 50 0 DEAARO Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000058305455 402099746 /nfs/dbraw/zinc/09/97/46/402099746.db2.gz NKBYKUYLJKENMA-MRXNPFEDSA-N 1 0 314.433 2.378 50 0 DEAARO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000058341205 402100034 /nfs/dbraw/zinc/10/00/34/402100034.db2.gz CFQKGKNTUMNSGH-CQSZACIVSA-N 1 0 315.417 2.112 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(C)nn1C ZINC000058342416 402100072 /nfs/dbraw/zinc/10/00/72/402100072.db2.gz OVFGAOVLODQNLV-HNNXBMFYSA-N 1 0 318.421 2.257 50 0 DEAARO Cc1ccc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)n1 ZINC000097058960 402104086 /nfs/dbraw/zinc/10/40/86/402104086.db2.gz XYHKAHAILRIWSA-VFNWGFHPSA-N 1 0 304.415 2.305 50 0 DEAARO C[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000097083816 402105304 /nfs/dbraw/zinc/10/53/04/402105304.db2.gz RNKQLENKNODXPN-WQVCFCJDSA-N 1 0 312.417 2.457 50 0 DEAARO Cc1cc(CNC(=O)C2CC[NH+](C3CCCCC3)CC2)n(C)n1 ZINC000097334208 402121894 /nfs/dbraw/zinc/12/18/94/402121894.db2.gz NASFVXLSHNMSNI-UHFFFAOYSA-N 1 0 318.465 2.389 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000097162726 402113321 /nfs/dbraw/zinc/11/33/21/402113321.db2.gz PTIFPDYWHCJTHK-KBPBESRZSA-N 1 0 308.426 2.261 50 0 DEAARO CCc1noc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200924 402115855 /nfs/dbraw/zinc/11/58/55/402115855.db2.gz JOMWVOKCUOUTQH-ZDUSSCGKSA-N 1 0 301.394 2.269 50 0 DEAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203624 402117310 /nfs/dbraw/zinc/11/73/10/402117310.db2.gz MIHVXURIIPTQID-GASCZTMLSA-N 1 0 318.465 2.389 50 0 DEAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203306 402117336 /nfs/dbraw/zinc/11/73/36/402117336.db2.gz IVGKPXYHLGSJNA-KRWDZBQOSA-N 1 0 312.417 2.419 50 0 DEAARO COCc1ccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)o1 ZINC000096140603 402062052 /nfs/dbraw/zinc/06/20/52/402062052.db2.gz SDZKPCUQUATNJW-UHFFFAOYSA-N 1 0 324.446 2.079 50 0 DEAARO COCCC[N@@H+]1CC[C@H](CNc2nc3c(s2)c(C)nn3C)C1 ZINC000096165735 402063995 /nfs/dbraw/zinc/06/39/95/402063995.db2.gz OTENFBIHAGUYON-GFCCVEGCSA-N 1 0 323.466 2.109 50 0 DEAARO Cc1ccc(C)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000054372520 402066946 /nfs/dbraw/zinc/06/69/46/402066946.db2.gz RHWBCTHLOYZOHM-INIZCTEOSA-N 1 0 315.461 2.088 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000065463798 402125873 /nfs/dbraw/zinc/12/58/73/402125873.db2.gz RSHVYYZWGFIBNC-HNNXBMFYSA-N 1 0 313.449 2.018 50 0 DEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000097553264 402127072 /nfs/dbraw/zinc/12/70/72/402127072.db2.gz RPVYUCDADRJGAE-IAGOWNOFSA-N 1 0 302.418 2.318 50 0 DEAARO O=C(NCCCc1ccco1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097572214 402127349 /nfs/dbraw/zinc/12/73/49/402127349.db2.gz NPPGLLYBSRNRIX-HNNXBMFYSA-N 1 0 320.433 2.219 50 0 DEAARO CSc1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)cc1 ZINC000097632132 402128587 /nfs/dbraw/zinc/12/85/87/402128587.db2.gz VMQQQGSBTMKBAC-UHFFFAOYSA-N 1 0 315.446 2.200 50 0 DEAARO CCc1noc(C)c1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097674265 402130042 /nfs/dbraw/zinc/13/00/42/402130042.db2.gz PVPCZGGMPRHKPN-UHFFFAOYSA-N 1 0 323.462 2.199 50 0 DEAARO Cc1cc(C)n2ncc(C[N@@H+](C)[C@@H](C)Cc3cnccn3)c2n1 ZINC000097732534 402131958 /nfs/dbraw/zinc/13/19/58/402131958.db2.gz WNOGMWAXDYNBPM-ZDUSSCGKSA-N 1 0 310.405 2.199 50 0 DEAARO [NH3+][C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000097915402 402133015 /nfs/dbraw/zinc/13/30/15/402133015.db2.gz YWTFXLIQZIEXLN-SFHVURJKSA-N 1 0 309.413 2.031 50 0 DEAARO C[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)C[C@H](C)[NH2+]1 ZINC000153234440 402134812 /nfs/dbraw/zinc/13/48/12/402134812.db2.gz RWVRLAVEVKBWAF-TXEJJXNPSA-N 1 0 312.360 2.333 50 0 DEAARO C[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@@H](C)[NH2+]1 ZINC000153307380 402138225 /nfs/dbraw/zinc/13/82/25/402138225.db2.gz JPZPPWYYEFKKIR-VXGBXAGGSA-N 1 0 303.431 2.438 50 0 DEAARO Cc1cc([C@H](C)[NH2+]CCCS(=O)(=O)N(C)C)c(C)s1 ZINC000097373707 402122957 /nfs/dbraw/zinc/12/29/57/402122957.db2.gz JFNCXCFMPRPGNE-NSHDSACASA-N 1 0 304.481 2.297 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)[C@H](C)n2ccnc2)[NH+](C)C)cc1 ZINC000067266997 402155803 /nfs/dbraw/zinc/15/58/03/402155803.db2.gz QPVVNSMHCSKXLX-GOEBONIOSA-N 1 0 300.406 2.172 50 0 DEAARO O=S(=O)(CC[NH2+]Cc1cccs1)N1CCc2ccccc21 ZINC000067253831 402155497 /nfs/dbraw/zinc/15/54/97/402155497.db2.gz GQFZQRLBEVPMLQ-UHFFFAOYSA-N 1 0 322.455 2.230 50 0 DEAARO C[C@H](C[NH+]1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 ZINC000067956208 402180289 /nfs/dbraw/zinc/18/02/89/402180289.db2.gz IRMWVPGVEYULGP-MRXNPFEDSA-N 1 0 315.461 2.076 50 0 DEAARO CCC[N@H+](CCO)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000068046037 402182721 /nfs/dbraw/zinc/18/27/21/402182721.db2.gz GIUUXNINUHZYFZ-SJLPKXTDSA-N 1 0 307.434 2.146 50 0 DEAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000124794316 402197369 /nfs/dbraw/zinc/19/73/69/402197369.db2.gz KMEOSCHAGNCBGP-LLVKDONJSA-N 1 0 318.808 2.268 50 0 DEAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(CC2CC2)C1=O ZINC000067654779 402166277 /nfs/dbraw/zinc/16/62/77/402166277.db2.gz GGEBNNSYWVFKLW-KRWDZBQOSA-N 1 0 307.438 2.123 50 0 DEAARO Cc1cc(C(=O)NCC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1O ZINC000067673758 402167284 /nfs/dbraw/zinc/16/72/84/402167284.db2.gz PNBJDLADJZOOMJ-MRXNPFEDSA-N 1 0 320.433 2.177 50 0 DEAARO CC(C)NC(=O)NC[C@@H]1CCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000067679101 402167316 /nfs/dbraw/zinc/16/73/16/402167316.db2.gz WMNZVTVYNNSOQR-INIZCTEOSA-N 1 0 324.513 2.280 50 0 DEAARO Cc1nc(CC[NH3+])cc(N2CCC(c3cccc(O)c3)CC2)n1 ZINC000067841078 402175018 /nfs/dbraw/zinc/17/50/18/402175018.db2.gz KTMSTCKQNXOICM-UHFFFAOYSA-N 1 0 312.417 2.376 50 0 DEAARO COc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)c(OC)c1 ZINC000069492471 402227211 /nfs/dbraw/zinc/22/72/11/402227211.db2.gz GVMHVXFREGUCTH-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO CCOc1ncccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069528960 402229352 /nfs/dbraw/zinc/22/93/52/402229352.db2.gz XQHMXZNDSZHAAR-HUUCEWRRSA-N 1 0 303.406 2.179 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C[C@H]1[NH+](C)C ZINC000107323110 402230224 /nfs/dbraw/zinc/23/02/24/402230224.db2.gz FQXBPCJXDRBUJY-WDBKCZKBSA-N 1 0 308.809 2.052 50 0 DEAARO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)NCCC1=CCCCC1 ZINC000069622356 402235324 /nfs/dbraw/zinc/23/53/24/402235324.db2.gz WVAWQDYDKMMFHC-QGZVFWFLSA-N 1 0 316.449 2.354 50 0 DEAARO CC(C)c1nn(-c2ccccc2)cc1CNC[C@@H](O)C[NH+](C)C ZINC000069737775 402241201 /nfs/dbraw/zinc/24/12/01/402241201.db2.gz KXIAEGPXMPARAW-QGZVFWFLSA-N 1 0 316.449 2.008 50 0 DEAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069774106 402243834 /nfs/dbraw/zinc/24/38/34/402243834.db2.gz VPQUZCNEQNGOMI-AWEZNQCLSA-N 1 0 314.437 2.256 50 0 DEAARO COCC[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000069814268 402245325 /nfs/dbraw/zinc/24/53/25/402245325.db2.gz LYUNEOFESNQRNT-GFCCVEGCSA-N 1 0 307.312 2.023 50 0 DEAARO c1ccc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1 ZINC000069843592 402247179 /nfs/dbraw/zinc/24/71/79/402247179.db2.gz BSCXMVALAATERE-OAHLLOKOSA-N 1 0 313.405 2.096 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000126115210 402264936 /nfs/dbraw/zinc/26/49/36/402264936.db2.gz RDRSYNKPGVIIID-AWEZNQCLSA-N 1 0 311.385 2.095 50 0 DEAARO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069900441 402250273 /nfs/dbraw/zinc/25/02/73/402250273.db2.gz VCQPGUPFCRJNBJ-AAEUAGOBSA-N 1 0 301.365 2.460 50 0 DEAARO O=[S@](CC[N@@H+]1CCC[C@@H]1Cn1cccn1)c1ccccc1 ZINC000069929824 402251868 /nfs/dbraw/zinc/25/18/68/402251868.db2.gz WQTDLUXODQMTCF-VFNWGFHPSA-N 1 0 303.431 2.155 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H](C)n1cccn1 ZINC000070003961 402254205 /nfs/dbraw/zinc/25/42/05/402254205.db2.gz IAIWUVIMEAHIIX-CABCVRRESA-N 1 0 304.438 2.429 50 0 DEAARO C[C@H](O)C[NH+]1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000070037016 402255964 /nfs/dbraw/zinc/25/59/64/402255964.db2.gz OPUKCROSJXNVNL-INIZCTEOSA-N 1 0 320.477 2.361 50 0 DEAARO CCc1c(C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)[nH]c(C)c1C(C)=O ZINC000070854972 402265609 /nfs/dbraw/zinc/26/56/09/402265609.db2.gz PZCUKESITFCBTP-ZDUSSCGKSA-N 1 0 305.422 2.301 50 0 DEAARO CS(=O)(=O)c1cnc(-c2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000071576039 402275414 /nfs/dbraw/zinc/27/54/14/402275414.db2.gz SIOHFRKKSVUXPT-ZDUSSCGKSA-N 1 0 317.414 2.014 50 0 DEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000215834117 402285435 /nfs/dbraw/zinc/28/54/35/402285435.db2.gz VHVQZGAJXSHVPU-NEPJUHHUSA-N 1 0 303.233 2.490 50 0 DEAARO CCCc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)o1 ZINC000215848458 402285610 /nfs/dbraw/zinc/28/56/10/402285610.db2.gz MGSSEXYTXQJABI-UHFFFAOYSA-N 1 0 301.390 2.225 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000071857268 402288899 /nfs/dbraw/zinc/28/88/99/402288899.db2.gz KVVQZTIOXKUQKN-MRXNPFEDSA-N 1 0 304.438 2.310 50 0 DEAARO Cc1cnc([C@H](C)CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 ZINC000222295572 402306746 /nfs/dbraw/zinc/30/67/46/402306746.db2.gz XWDHKNXCABSOKY-RAIGVLPGSA-N 1 0 310.467 2.337 50 0 DEAARO C[C@H](C(=O)NC1CCC(C)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000225421059 402317070 /nfs/dbraw/zinc/31/70/70/402317070.db2.gz BRRZTWZJOFDVJP-JVWICGRDSA-N 1 0 317.433 2.229 50 0 DEAARO NC(=O)c1ncn([C@@H]2CCC[N@H+](CCCC3CCCCC3)C2)n1 ZINC000225423370 402317138 /nfs/dbraw/zinc/31/71/38/402317138.db2.gz MRSWRDSPTPMGET-OAHLLOKOSA-N 1 0 319.453 2.374 50 0 DEAARO COC(=O)[C@H](F)CN1CCC(OCc2ccc(F)cc2)CC1 ZINC000225467902 402318183 /nfs/dbraw/zinc/31/81/83/402318183.db2.gz FBCSMSFLTWHTTM-OAHLLOKOSA-N 1 0 313.344 2.318 50 0 DEAARO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C(N)=O)C3)n2)cc1F ZINC000229437060 402343353 /nfs/dbraw/zinc/34/33/53/402343353.db2.gz YICDXRLCZJCXNL-CMPLNLGQSA-N 1 0 318.352 2.052 50 0 DEAARO Cc1ccc(C2(O)CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000244787762 402449380 /nfs/dbraw/zinc/44/93/80/402449380.db2.gz QDESWJFCULNFEL-DLBZAZTESA-N 1 0 315.461 2.158 50 0 DEAARO Cc1ncsc1CC[N@@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000244795571 402449515 /nfs/dbraw/zinc/44/95/15/402449515.db2.gz RIXMMWMSTCNMPV-ZDUSSCGKSA-N 1 0 318.446 2.336 50 0 DEAARO O=C(/C=C/c1ccccc1OC(F)(F)F)N1CCC[NH2+]CC1 ZINC000237714493 402419089 /nfs/dbraw/zinc/41/90/89/402419089.db2.gz HPEXTHJYAWMNGQ-VOTSOKGWSA-N 1 0 314.307 2.420 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000237984191 402430119 /nfs/dbraw/zinc/43/01/19/402430119.db2.gz USUBPDXBIJMQGP-MGPQQGTHSA-N 1 0 302.374 2.206 50 0 DEAARO CCN1CC[N@H+](C[C@H](OC)c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000239475358 402441842 /nfs/dbraw/zinc/44/18/42/402441842.db2.gz ANQRWWAMKDPFIF-IRXDYDNUSA-N 1 0 314.433 2.476 50 0 DEAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000241439994 402443301 /nfs/dbraw/zinc/44/33/01/402443301.db2.gz NOEYOCYLTMXMRY-GJZGRUSLSA-N 1 0 314.495 2.455 50 0 DEAARO CC(=O)Nc1ccccc1NC(=O)C[N@@H+](C)C1CCSCC1 ZINC000244716086 402448751 /nfs/dbraw/zinc/44/87/51/402448751.db2.gz LIDCGAUSCSXLRC-UHFFFAOYSA-N 1 0 321.446 2.411 50 0 DEAARO CC(C)CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245338671 402453261 /nfs/dbraw/zinc/45/32/61/402453261.db2.gz NSXURNQRVXPMTG-ARFHVFGLSA-N 1 0 316.511 2.052 50 0 DEAARO C[C@H](O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000170075549 402502893 /nfs/dbraw/zinc/50/28/93/402502893.db2.gz UMAKDRZCYQBHPP-QMMMGPOBSA-N 1 0 301.177 2.045 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)cc1 ZINC000170616174 402507580 /nfs/dbraw/zinc/50/75/80/402507580.db2.gz PUIGXVMQNMWLOI-INIZCTEOSA-N 1 0 317.433 2.008 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 ZINC000178988206 402562406 /nfs/dbraw/zinc/56/24/06/402562406.db2.gz UPWPHQXRJJNJLW-GFCCVEGCSA-N 1 0 301.365 2.364 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000178594670 402515724 /nfs/dbraw/zinc/51/57/24/402515724.db2.gz ZTJYFNCCDDHTFK-GFCCVEGCSA-N 1 0 302.403 2.029 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1nc(C)no1 ZINC000247946244 402578702 /nfs/dbraw/zinc/57/87/02/402578702.db2.gz IDBSUNFKKJUXIC-HUUCEWRRSA-N 1 0 320.437 2.176 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000248111819 402582964 /nfs/dbraw/zinc/58/29/64/402582964.db2.gz HJPZSLYYOLMWRU-INMHGKMJSA-N 1 0 300.402 2.075 50 0 DEAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCCC1 ZINC000190419114 402599880 /nfs/dbraw/zinc/59/98/80/402599880.db2.gz INDYWDPIQVHVOE-KRWDZBQOSA-N 1 0 317.433 2.083 50 0 DEAARO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000248725442 402605502 /nfs/dbraw/zinc/60/55/02/402605502.db2.gz CSYUIERJZHNKDN-HDEZJCGLSA-N 1 0 302.418 2.191 50 0 DEAARO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)O1 ZINC000249090483 402619957 /nfs/dbraw/zinc/61/99/57/402619957.db2.gz CXUXFCNQWBXCGW-XQHKEYJVSA-N 1 0 322.371 2.333 50 0 DEAARO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000252513030 402657835 /nfs/dbraw/zinc/65/78/35/402657835.db2.gz WZDIKYJFLOIKQS-MGPQQGTHSA-N 1 0 311.470 2.059 50 0 DEAARO Cc1cc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)sc1C ZINC000252535781 402658661 /nfs/dbraw/zinc/65/86/61/402658661.db2.gz GWDIVHXTOPPVJY-DZKIICNBSA-N 1 0 322.474 2.234 50 0 DEAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C[C@H]1C ZINC000252477841 402654099 /nfs/dbraw/zinc/65/40/99/402654099.db2.gz WGHCPGOETHXROI-CABCVRRESA-N 1 0 309.454 2.214 50 0 DEAARO CN(CCC(=O)Nc1cccnc1)CC[N@H+](C)C1CCCC1 ZINC000252479558 402654401 /nfs/dbraw/zinc/65/44/01/402654401.db2.gz BHLZUIVLAKQHFP-UHFFFAOYSA-N 1 0 304.438 2.216 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc(OC)c1F ZINC000252483433 402654947 /nfs/dbraw/zinc/65/49/47/402654947.db2.gz FBNVARZQIDFMNS-CQSZACIVSA-N 1 0 308.397 2.367 50 0 DEAARO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000252500614 402656645 /nfs/dbraw/zinc/65/66/45/402656645.db2.gz SZEAFGODZOWXHM-OAHLLOKOSA-N 1 0 310.463 2.017 50 0 DEAARO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCC[C@H]2OC2CCCC2)C1 ZINC000253370049 402663031 /nfs/dbraw/zinc/66/30/31/402663031.db2.gz LGYBTJVCSSNMBT-CWRNSKLLSA-N 1 0 315.479 2.424 50 0 DEAARO CCn1ncc(C[N@H+]2C[C@@H](c3ccncc3)[C@H](COC)C2)c1C ZINC000253402915 402663627 /nfs/dbraw/zinc/66/36/27/402663627.db2.gz GTSNJRZOWHHLGP-ROUUACIJSA-N 1 0 314.433 2.468 50 0 DEAARO O[C@H](C[NH+]1CCC(CNc2cnccn2)CC1)c1ccccc1 ZINC000253429532 402666529 /nfs/dbraw/zinc/66/65/29/402666529.db2.gz SXGQAUCGCWYVJL-QGZVFWFLSA-N 1 0 312.417 2.334 50 0 DEAARO CC(=O)N1CC[N@H+](Cc2ccnc(N)c2)CC12CCCCC2 ZINC000253433242 402667113 /nfs/dbraw/zinc/66/71/13/402667113.db2.gz UJZUCOYWMJMDJO-UHFFFAOYSA-N 1 0 302.422 2.031 50 0 DEAARO C[C@H]1C[NH+](CCC2CCN(c3ncc(F)cn3)CC2)C[C@H](C)O1 ZINC000253432666 402667229 /nfs/dbraw/zinc/66/72/29/402667229.db2.gz MHEUNQYJEXDNCF-KBPBESRZSA-N 1 0 322.428 2.331 50 0 DEAARO CN(C(=O)/C=C\c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000255427913 402687705 /nfs/dbraw/zinc/68/77/05/402687705.db2.gz HQJDSIINEMUZEM-ZHRWSRJISA-N 1 0 309.207 2.283 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccccc2Br)C1 ZINC000255602812 402692237 /nfs/dbraw/zinc/69/22/37/402692237.db2.gz PWFLPKLYNFJPAY-ISALQUGTSA-N 1 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/nfs/dbraw/zinc/56/90/98/403569098.db2.gz APXJPCQHEIIPPD-UHFFFAOYSA-N 1 0 318.461 2.057 50 0 DEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@@H](C)CC)cc2C1 ZINC000299780006 403573158 /nfs/dbraw/zinc/57/31/58/403573158.db2.gz JIDOPOWEMKPZFO-ZDUSSCGKSA-N 1 0 307.442 2.097 50 0 DEAARO CSCC[NH+]1CCC(NC(=O)C[C@@H](C)n2ccnc2C)CC1 ZINC000299784056 403574313 /nfs/dbraw/zinc/57/43/13/403574313.db2.gz FLQNORFZWOPTTI-CYBMUJFWSA-N 1 0 324.494 2.086 50 0 DEAARO CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)cc1 ZINC000299785574 403574811 /nfs/dbraw/zinc/57/48/11/403574811.db2.gz MGBKATVIQYBWLV-ZDUSSCGKSA-N 1 0 303.383 2.019 50 0 DEAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299800315 403578307 /nfs/dbraw/zinc/57/83/07/403578307.db2.gz VVHXIOBAMOCWHS-UHFFFAOYSA-N 1 0 312.417 2.401 50 0 DEAARO O=C(c1cnn2c1CCCC2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000333251089 403707103 /nfs/dbraw/zinc/70/71/03/403707103.db2.gz GTZDLLQNRDLPTB-QGZVFWFLSA-N 1 0 310.401 2.006 50 0 DEAARO Cc1noc([C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CCN2C)n1 ZINC000343865562 403766057 /nfs/dbraw/zinc/76/60/57/403766057.db2.gz NGORWBKSYVETLF-BBWFWOEESA-N 1 0 312.417 2.470 50 0 DEAARO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CCCCC1 ZINC000369651824 404179423 /nfs/dbraw/zinc/17/94/23/404179423.db2.gz ALYWZRVZVLCBHX-AWEZNQCLSA-N 1 0 309.454 2.214 50 0 DEAARO c1ccc([C@H](NCc2nnc3n2CCCC3)[C@H]2CCOC2)cc1 ZINC000329386148 404320597 /nfs/dbraw/zinc/32/05/97/404320597.db2.gz POMPOMATELMCFR-YJBOKZPZSA-N 1 0 312.417 2.482 50 0 DEAARO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365596442 404697165 /nfs/dbraw/zinc/69/71/65/404697165.db2.gz TUEJAZDOXHMLLQ-LZLYRXPVSA-N 1 0 316.445 2.187 50 0 DEAARO Cc1noc(C)c1CN(C)C(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426402198 405357505 /nfs/dbraw/zinc/35/75/05/405357505.db2.gz ZREIHNCIXRXQMU-UHFFFAOYSA-N 1 0 321.352 2.040 50 0 DEAARO COC(=O)c1cccc(-c2cccc(C(=O)N[C@H]3CC[NH2+]C3)c2)c1 ZINC000426412845 405358948 /nfs/dbraw/zinc/35/89/48/405358948.db2.gz YNCFHEPRJNHCDZ-KRWDZBQOSA-N 1 0 324.380 2.232 50 0 DEAARO Cc1ccc(C(=O)N(C)C2CCSCC2)cc1OCC[NH3+] ZINC000426360075 405354248 /nfs/dbraw/zinc/35/42/48/405354248.db2.gz QFRFYBIGZKMUIJ-UHFFFAOYSA-N 1 0 308.447 2.300 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2ncccn2)cc1 ZINC000426394571 405356791 /nfs/dbraw/zinc/35/67/91/405356791.db2.gz JZLBTMYOMSEKBU-MRXNPFEDSA-N 1 0 310.401 2.358 50 0 DEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cccc4nonc43)[C@H]2C1 ZINC000426500337 405364451 /nfs/dbraw/zinc/36/44/51/405364451.db2.gz VWDVKWWCTRVUEM-UKPHBRMFSA-N 1 0 317.389 2.381 50 0 DEAARO Nc1cc[nH+]cc1-c1ccc(C(=O)NCC[C@H]2CCOC2)cc1 ZINC000426504647 405365363 /nfs/dbraw/zinc/36/53/63/405365363.db2.gz UJBYWFOTFVWMNP-ZDUSSCGKSA-N 1 0 311.385 2.318 50 0 DEAARO COc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000585118177 405870861 /nfs/dbraw/zinc/87/08/61/405870861.db2.gz FYWZDJYUWBEVJV-KBPBESRZSA-N 1 0 311.447 2.449 50 0 DEAARO Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000585120104 405872847 /nfs/dbraw/zinc/87/28/47/405872847.db2.gz RHQAWLLHIFCECY-UHFFFAOYSA-N 1 0 318.421 2.090 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+]Cc2ccsc2C(F)(F)F)cn1 ZINC000527666658 406711032 /nfs/dbraw/zinc/71/10/32/406711032.db2.gz UNPBMCRDHOZDCO-LBPRGKRZSA-N 1 0 319.352 2.498 50 0 DEAARO COCc1ncc(C)n1C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000575550277 406811816 /nfs/dbraw/zinc/81/18/16/406811816.db2.gz SOXPHQLIRJARTH-OAHLLOKOSA-N 1 0 322.453 2.416 50 0 DEAARO C[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)n1cccn1 ZINC000642181759 406915127 /nfs/dbraw/zinc/91/51/27/406915127.db2.gz SOUQLLRERXIUMZ-AWEZNQCLSA-N 1 0 316.405 2.160 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1 ZINC000132793649 196283947 /nfs/dbraw/zinc/28/39/47/196283947.db2.gz OTAWPWMKWNYRRW-CQSZACIVSA-N 1 0 315.421 2.145 50 0 DEAARO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CC12CCCCC2 ZINC000296777356 226223064 /nfs/dbraw/zinc/22/30/64/226223064.db2.gz FBDDRXRUDRCAOD-ZDUSSCGKSA-N 1 0 305.426 2.289 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(F)c3)nc2)CC1 ZINC000047523081 424827083 /nfs/dbraw/zinc/82/70/83/424827083.db2.gz QZIYESJWBZCSKI-UHFFFAOYSA-N 1 0 314.364 2.225 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC000044892559 424813934 /nfs/dbraw/zinc/81/39/34/424813934.db2.gz ULNYLIVWTBWNRX-UONOGXRCSA-N 1 0 323.462 2.363 50 0 DEAARO Cc1n[nH]c(C)c1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000111403962 424851791 /nfs/dbraw/zinc/85/17/91/424851791.db2.gz MDLPRAFFQQBLIG-UHFFFAOYSA-N 1 0 306.454 2.151 50 0 DEAARO Cc1cn2nc(N[C@H]3CC[N@@H+](CCSC(C)C)C3)ccc2n1 ZINC000408518942 424934345 /nfs/dbraw/zinc/93/43/45/424934345.db2.gz LQDBBZJOFOQWDF-AWEZNQCLSA-N 1 0 319.478 2.666 50 0 DEAARO CC[N@@H+](Cc1cc(=O)c(OC)c[nH]1)C[C@H](O)c1cccc(O)c1 ZINC000244633148 424886429 /nfs/dbraw/zinc/88/64/29/424886429.db2.gz FXOWUQIVPXMXAQ-INIZCTEOSA-N 1 0 318.373 2.057 50 0 DEAARO C[C@H](C[NH+]1CCC(C)CC1)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000000808193 274484471 /nfs/dbraw/zinc/48/44/71/274484471.db2.gz RUYJYMWKKRHAKJ-PBHICJAKSA-N 1 0 319.401 2.490 50 0 DEAARO O=C(c1ccncc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225683992 275014727 /nfs/dbraw/zinc/01/47/27/275014727.db2.gz XUKXUTOUZZJFOT-GOSISDBHSA-N 1 0 307.397 2.354 50 0 DEAARO CC1(C)CCC[C@@H]([NH2+]CCN2CCN(c3ncccn3)CC2)C1 ZINC000067834155 275817917 /nfs/dbraw/zinc/81/79/17/275817917.db2.gz BWCHSVAKGWAZGZ-MRXNPFEDSA-N 1 0 317.481 2.157 50 0 DEAARO C[N@@H+]1CCCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000016552070 277049304 /nfs/dbraw/zinc/04/93/04/277049304.db2.gz NLYLAAJBIRCWCF-UHFFFAOYSA-N 1 0 308.250 2.160 50 0 DEAARO CN1c2ccccc2C2(CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000072162019 277217412 /nfs/dbraw/zinc/21/74/12/277217412.db2.gz OOPPXSFLXWOISH-AWEZNQCLSA-N 1 0 300.402 2.176 50 0 DEAARO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000096491640 277500170 /nfs/dbraw/zinc/50/01/70/277500170.db2.gz HTGBTFRTSVXSDE-JLJPHGGASA-N 1 0 323.458 2.498 50 0 DEAARO C[C@H](c1cccnc1)N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095451578 278314118 /nfs/dbraw/zinc/31/41/18/278314118.db2.gz JJVCIWMHAXIOPC-XPGWFJOJSA-N 1 0 323.440 2.419 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000095941227 278365588 /nfs/dbraw/zinc/36/55/88/278365588.db2.gz CQMRRQROJZABKU-UWVGGRQHSA-N 1 0 323.359 2.321 50 0 DEAARO C[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000043136481 278401503 /nfs/dbraw/zinc/40/15/03/278401503.db2.gz XZOFFMQPXFDDCG-LSDHHAIUSA-N 1 0 321.421 2.237 50 0 DEAARO C[C@H](CCc1ccccc1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229499446 279274060 /nfs/dbraw/zinc/27/40/60/279274060.db2.gz VXJIKDCXSBZBCN-NVXWUHKLSA-N 1 0 300.406 2.000 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)c2cc(C)nc(C)n2)[NH+](C)C)cc1 ZINC000299781837 280946122 /nfs/dbraw/zinc/94/61/22/280946122.db2.gz FHQRVMHQHPARHU-QGZVFWFLSA-N 1 0 312.417 2.435 50 0 DEAARO Cc1ccc([C@@H]2CN(S(=O)(=O)C(C)C)C[C@H]2[NH+](C)C)cc1 ZINC000095529792 280962306 /nfs/dbraw/zinc/96/23/06/280962306.db2.gz FSOHXWAUBXNJLY-JKSUJKDBSA-N 1 0 310.463 2.063 50 0 DEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cnccn2)C1 ZINC000244594228 281392090 /nfs/dbraw/zinc/39/20/90/281392090.db2.gz DISPUJNZZBVBAK-HNNXBMFYSA-N 1 0 310.401 2.004 50 0 DEAARO C[NH+](C)C[C@@](C)(O)CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000153132606 289204175 /nfs/dbraw/zinc/20/41/75/289204175.db2.gz ZATQQUSZODUPII-AHCQMBGYSA-N 1 0 322.493 2.412 50 0 DEAARO C[NH+](C)C[C@](C)(O)CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000225446213 289219502 /nfs/dbraw/zinc/21/95/02/289219502.db2.gz ZATQQUSZODUPII-BQQQGOAYSA-N 1 0 322.493 2.412 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000072165690 289296587 /nfs/dbraw/zinc/29/65/87/289296587.db2.gz PGLWWSQUUAEUKD-OAHLLOKOSA-N 1 0 310.463 2.006 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000041028273 295334842 /nfs/dbraw/zinc/33/48/42/295334842.db2.gz XKECEDHUERCZGV-VIFPVBQESA-N 1 0 301.159 2.152 50 0 DEAARO C[C@H](CN1CCOCC1)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000248744968 298645222 /nfs/dbraw/zinc/64/52/22/298645222.db2.gz NBQPFWUNUXHQFS-LMMKCTJWSA-N 1 0 318.461 2.465 50 0 DEAARO COc1ncc(-c2ccc(F)c(C[C@H](C[NH3+])CO)c2)cc1C ZINC000935617051 782066714 /nfs/dbraw/zinc/06/67/14/782066714.db2.gz HLBDFPBAWGAIQI-GFCCVEGCSA-N 1 0 304.365 2.314 50 0 DEAARO Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000534574456 334287476 /nfs/dbraw/zinc/28/74/76/334287476.db2.gz QRMGVKBALGXSFK-GFCCVEGCSA-N 1 0 302.378 2.398 50 0 DEAARO CCO[C@H]1COC[C@@H]1[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000534576804 334287770 /nfs/dbraw/zinc/28/77/70/334287770.db2.gz XBGRYXRBZIDCOL-RDJZCZTQSA-N 1 0 308.397 2.188 50 0 DEAARO Cc1ccc(NC(C)(C)C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534651770 334312133 /nfs/dbraw/zinc/31/21/33/334312133.db2.gz ODBAGBGVCCHWKI-WNKDZCFJSA-N 1 0 313.445 2.394 50 0 DEAARO CN1CCC([NH+]2CCC(CNC(=O)[C@H]3CC34CCC4)CC2)CC1 ZINC000534647938 334316084 /nfs/dbraw/zinc/31/60/84/334316084.db2.gz VFYOUYTYGWEQHD-QGZVFWFLSA-N 1 0 319.493 2.099 50 0 DEAARO Cc1nc[nH]c1CSCCNC(=O)N(C)Cc1ccoc1 ZINC000534664766 334318521 /nfs/dbraw/zinc/31/85/21/334318521.db2.gz PUJLDGWWQMDHNO-UHFFFAOYSA-N 1 0 308.407 2.386 50 0 DEAARO Cn1cc(Br)cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070148933 334864147 /nfs/dbraw/zinc/86/41/47/334864147.db2.gz DFAOYIJEJHUATE-NSHDSACASA-N 1 0 314.227 2.131 50 0 DEAARO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)sc1C ZINC000097234963 337382410 /nfs/dbraw/zinc/38/24/10/337382410.db2.gz DWXDSTZBMQICNF-LBPRGKRZSA-N 1 0 302.465 2.033 50 0 DEAARO COCC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CCC1 ZINC000252487925 337383741 /nfs/dbraw/zinc/38/37/41/337383741.db2.gz IEYCDIAFHLKVGN-UHFFFAOYSA-N 1 0 311.470 2.223 50 0 DEAARO CSC[C@H]1CCCN(C(=O)NCCNc2cc[nH+]cc2C)C1 ZINC000426486494 533800668 /nfs/dbraw/zinc/80/06/68/533800668.db2.gz VKYDOECRZCURLG-AWEZNQCLSA-N 1 0 322.478 2.008 50 0 DEAARO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244899617 534836049 /nfs/dbraw/zinc/83/60/49/534836049.db2.gz ZMWGPJSUQHOZPM-BETUJISGSA-N 1 0 323.404 2.107 50 0 DEAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)c1 ZINC000199513346 526264328 /nfs/dbraw/zinc/26/43/28/526264328.db2.gz MYSXUYSOOXTAIO-KSFYIVLOSA-N 1 0 317.458 2.464 50 0 DEAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC(=O)N(C(C)C)C(C)C ZINC000408525682 528501758 /nfs/dbraw/zinc/50/17/58/528501758.db2.gz RGQQZNUWBRURQH-AWEZNQCLSA-N 1 0 300.443 2.186 50 0 DEAARO CCOC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000408518087 528935945 /nfs/dbraw/zinc/93/59/45/528935945.db2.gz TUXDBQVZPFZECF-MSOLQXFVSA-N 1 0 316.445 2.394 50 0 DEAARO C[NH+](C)Cc1ccc(CNS(=O)(=O)CC2CCCC2)cc1 ZINC000357199356 536010875 /nfs/dbraw/zinc/01/08/75/536010875.db2.gz CDTICIWHWKJSCT-UHFFFAOYSA-N 1 0 310.463 2.358 50 0 DEAARO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)[nH]1 ZINC000374545647 536100323 /nfs/dbraw/zinc/10/03/23/536100323.db2.gz YDQVIRQTBKDBAH-OAHLLOKOSA-N 1 0 313.401 2.200 50 0 DEAARO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)[nH]1 ZINC000374545646 536100647 /nfs/dbraw/zinc/10/06/47/536100647.db2.gz YDQVIRQTBKDBAH-HNNXBMFYSA-N 1 0 313.401 2.200 50 0 DEAARO C[C@H]1CN(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)CCO1 ZINC000179344095 640819293 /nfs/dbraw/zinc/81/92/93/640819293.db2.gz PREGSNJNINRXBT-AWEZNQCLSA-N 1 0 314.433 2.248 50 0 DEAARO CC[C@@H](O)C[NH+]1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000174085172 646790744 /nfs/dbraw/zinc/79/07/44/646790744.db2.gz QXXAQNQKMMBDEX-QGZVFWFLSA-N 1 0 313.445 2.432 50 0 DEAARO COc1ccc(-c2nc3c[nH]n(C4CC[NH+](C)CC4)c-3n2)cn1 ZINC000019229147 683858128 /nfs/dbraw/zinc/85/81/28/683858128.db2.gz XJZBOSOZXCBQAQ-UHFFFAOYSA-N 1 0 312.377 2.097 50 0 DEAARO Cc1nn2cc(CC[NH2+][C@@H]3COc4ccccc4C3)nc2s1 ZINC000039447886 683887903 /nfs/dbraw/zinc/88/79/03/683887903.db2.gz GNWFHYFQGSVFGF-AWEZNQCLSA-N 1 0 314.414 2.235 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CCNC(=O)c2ccccc2C#N)C1 ZINC000067689192 683924644 /nfs/dbraw/zinc/92/46/44/683924644.db2.gz VAFXLOCKKGSUOT-MRXNPFEDSA-N 1 0 315.417 2.035 50 0 DEAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067973802 683925991 /nfs/dbraw/zinc/92/59/91/683925991.db2.gz KQMYWWDHGAAWFD-SFHVURJKSA-N 1 0 310.401 2.292 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2SC)C1 ZINC000068525151 683926818 /nfs/dbraw/zinc/92/68/18/683926818.db2.gz NXBLKQDACWAVHA-CYBMUJFWSA-N 1 0 323.462 2.498 50 0 DEAARO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000113505621 684062095 /nfs/dbraw/zinc/06/20/95/684062095.db2.gz PZIAAQZZZQSZJM-OAHLLOKOSA-N 1 0 308.809 2.462 50 0 DEAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc[nH]c1 ZINC000192228701 684445020 /nfs/dbraw/zinc/44/50/20/684445020.db2.gz TXNBLKVGMZRSLX-KRWDZBQOSA-N 1 0 313.401 2.036 50 0 DEAARO Cc1cccc([C@@H](C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1C ZINC000863981876 686601794 /nfs/dbraw/zinc/60/17/94/686601794.db2.gz QKSHAAXAQIQOQY-CRAIPNDOSA-N 1 0 304.434 2.327 50 0 DEAARO CCCS(=O)(=O)N1CCC[C@@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000581806161 777835072 /nfs/dbraw/zinc/83/50/72/777835072.db2.gz MJPWDJAHHABSMU-CQSZACIVSA-N 1 0 311.451 2.446 50 0 DEAARO COc1ccc2c(c1)c(C[N@@H+]1CC[C@]3(CCC(=O)N3)C1)cn2C ZINC000675016950 778335042 /nfs/dbraw/zinc/33/50/42/778335042.db2.gz IFVBTYLULNSDNA-GOSISDBHSA-N 1 0 313.401 2.041 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cncnc1 ZINC000828202271 783763740 /nfs/dbraw/zinc/76/37/40/783763740.db2.gz VXECEAISQPXVMD-UHFFFAOYSA-N 1 0 316.430 2.180 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)c1csc(C(C)C)n1 ZINC000828207922 783766621 /nfs/dbraw/zinc/76/66/21/783766621.db2.gz KIQOKNCWZXUPEY-UHFFFAOYSA-N 1 0 304.419 2.234 50 0 DEAARO O=C1C[C@@H](C[NH2+]C2CSCCSC2)CN1C1CCCC1 ZINC000828247906 783772847 /nfs/dbraw/zinc/77/28/47/783772847.db2.gz HQRIBWTVFJEJDV-LBPRGKRZSA-N 1 0 314.520 2.216 50 0 DEAARO Cc1nnc2n1CC[C@@H]([N@H+](C)Cc1ccc3c(c1)CCO3)CC2 ZINC000581801270 784780606 /nfs/dbraw/zinc/78/06/06/784780606.db2.gz BTZPBXHATAHZRB-INIZCTEOSA-N 1 0 312.417 2.358 50 0 DEAARO COCCC(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000581806896 784786599 /nfs/dbraw/zinc/78/65/99/784786599.db2.gz CQIYEDDKBCMWME-AWEZNQCLSA-N 1 0 305.422 2.344 50 0 DEAARO O=C(CC[NH+]1CCC(c2nnco2)CC1)Nc1cccc(F)c1 ZINC000585116035 789702716 /nfs/dbraw/zinc/70/27/16/789702716.db2.gz FCCKTRDBYCKPAN-UHFFFAOYSA-N 1 0 318.352 2.417 50 0 DEAARO C[NH+](C)CCCC(C)(C)NC(=O)c1c[nH]c(=S)n1C1CC1 ZINC000585121400 789706891 /nfs/dbraw/zinc/70/68/91/789706891.db2.gz OHGCDVREWBPDTD-UHFFFAOYSA-N 1 0 310.467 2.357 50 0 DEAARO COc1cc(OC)c(OC)cc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C ZINC000043164437 791238015 /nfs/dbraw/zinc/23/80/15/791238015.db2.gz SSEQCNMXUZEZGH-ZFWWWQNUSA-N 1 0 320.433 2.381 50 0 DEAARO Cc1ccnc(C[C@@H]2CC[C@H](C[N@@H+](C)Cc3cccnc3)O2)n1 ZINC000952854491 792778875 /nfs/dbraw/zinc/77/88/75/792778875.db2.gz FFPAVHMRNSQZMA-DLBZAZTESA-N 1 0 312.417 2.402 50 0 DEAARO O=C(N[C@H]1CCc2c[nH]nc2C1)C1([NH+]2CCCC2)CCCCC1 ZINC000952869790 792786285 /nfs/dbraw/zinc/78/62/85/792786285.db2.gz OWNRYWXUEYHFLD-HNNXBMFYSA-N 1 0 316.449 2.182 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCSc1nc[nH]n1)CCC2 ZINC000952869418 792786430 /nfs/dbraw/zinc/78/64/30/792786430.db2.gz SILWLIAVRYFDAH-UHFFFAOYSA-N 1 0 304.419 2.184 50 0 DEAARO Cc1csc2c1ncnc2NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000952872568 792790871 /nfs/dbraw/zinc/79/08/71/792790871.db2.gz PKZGVHNZUOKINH-GFCCVEGCSA-N 1 0 306.435 2.116 50 0 DEAARO CNC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1 ZINC000952962256 792806994 /nfs/dbraw/zinc/80/69/94/792806994.db2.gz CXHKUSFLUQYPCW-CQSZACIVSA-N 1 0 317.433 2.414 50 0 DEAARO Cc1ccc(CN(CCCO)C(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000952965782 792814805 /nfs/dbraw/zinc/81/48/05/792814805.db2.gz RWXWMJFDQVHYKN-GOSISDBHSA-N 1 0 312.413 2.406 50 0 DEAARO Cc1nc(C)c(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)o1 ZINC000952970682 792825456 /nfs/dbraw/zinc/82/54/56/792825456.db2.gz LMIMUSKBNNKLFQ-UHFFFAOYSA-N 1 0 314.389 2.347 50 0 DEAARO CC[N@@H+](CCC(=O)NCc1ccccc1F)CCn1cccn1 ZINC001529099845 1070851367 /nfs/dbraw/zinc/85/13/67/1070851367.db2.gz FLLAPVSVGVHCDE-UHFFFAOYSA-N 1 0 318.396 2.051 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]2O)[nH]n1 ZINC001529159382 1070890847 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OC[C@H]1CCCC[N@@H+]1CCNc1cccc(C(F)(F)F)n1 ZINC001506422792 1061967435 /nfs/dbraw/zinc/96/74/35/1061967435.db2.gz UTVZVOUUSMXFST-LLVKDONJSA-N 1 0 303.328 2.359 50 0 DEAARO CCCOc1ccccc1CCC[NH2+][C@H](C)CN(C)CCO ZINC001506428468 1061973786 /nfs/dbraw/zinc/97/37/86/1061973786.db2.gz PAQOIVLEPANENA-MRXNPFEDSA-N 1 0 308.466 2.310 50 0 DEAARO CC(C)c1noc([C@@H]2CCC[N@H+](CCc3nccn3C)C2)n1 ZINC001506429388 1061976288 /nfs/dbraw/zinc/97/62/88/1061976288.db2.gz XUNUHZSGRINUCJ-CYBMUJFWSA-N 1 0 303.410 2.349 50 0 DEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CC[NH+](CCC(=O)[O-])CC2 ZINC000095526422 1088632175 /nfs/dbraw/zinc/63/21/75/1088632175.db2.gz GVBTWZLOPQDTKT-INIZCTEOSA-N 1 0 302.418 2.415 50 0 DEAARO C[C@@H](CCSc1ccc(F)cc1)[NH2+]CCS(C)(=O)=O ZINC000821164278 1090580465 /nfs/dbraw/zinc/58/04/65/1090580465.db2.gz RYKRRCRXQZBQAR-NSHDSACASA-N 1 0 305.440 2.331 50 0 DEAARO O[C@H]1CN(CCC(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000095498221 185374249 /nfs/dbraw/zinc/37/42/49/185374249.db2.gz FITZXUPHWDCHQG-AWEZNQCLSA-N 1 0 302.340 2.118 50 0 DEAARO Cc1cc(-c2ccccc2)nc(CN2C[C@@H]3CC[C@H](CC2=O)[NH2+]3)n1 ZINC000095502328 185375161 /nfs/dbraw/zinc/37/51/61/185375161.db2.gz RGMQQHAJKXLWQP-CVEARBPZSA-N 1 0 322.412 2.305 50 0 DEAARO Cc1cc(CN(C)C(=O)c2ccc(C)c(OCC[NH3+])c2)ccn1 ZINC000426489340 230801329 /nfs/dbraw/zinc/80/13/29/230801329.db2.gz IVIQJIJDLLQBLU-UHFFFAOYSA-N 1 0 313.401 2.308 50 0 DEAARO O=C1OCCN1CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000078922718 185128916 /nfs/dbraw/zinc/12/89/16/185128916.db2.gz JXFORNBUZUYNMS-UHFFFAOYSA-N 1 0 314.389 2.195 50 0 DEAARO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000079097498 185158100 /nfs/dbraw/zinc/15/81/00/185158100.db2.gz MYZJKJDLABOKML-IBGZPJMESA-N 1 0 316.445 2.335 50 0 DEAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000088676993 185262024 /nfs/dbraw/zinc/26/20/24/185262024.db2.gz GAZOWKBLCQQIGJ-HOCLYGCPSA-N 1 0 303.450 2.011 50 0 DEAARO CC[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000089948266 185270744 /nfs/dbraw/zinc/27/07/44/185270744.db2.gz MUJPOKXODISERW-GOEBONIOSA-N 1 0 311.470 2.365 50 0 DEAARO CCC1(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCCC1 ZINC000089948185 185270751 /nfs/dbraw/zinc/27/07/51/185270751.db2.gz JHKBRWAQBUYLKE-UHFFFAOYSA-N 1 0 324.513 2.282 50 0 DEAARO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)o1 ZINC000090395670 185294227 /nfs/dbraw/zinc/29/42/27/185294227.db2.gz OZFRWXUHTNHFKC-NEPJUHHUSA-N 1 0 304.394 2.246 50 0 DEAARO c1cncc(NCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000082083568 192354250 /nfs/dbraw/zinc/35/42/50/192354250.db2.gz DZXQLCYIBSGVNX-OAHLLOKOSA-N 1 0 305.422 2.201 50 0 DEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCc2cccnc2)CC1 ZINC000082096929 192354520 /nfs/dbraw/zinc/35/45/20/192354520.db2.gz ILJPUMNFKUZJBH-UHFFFAOYSA-N 1 0 324.428 2.457 50 0 DEAARO C(Cc1nc2c(s1)CCC2)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082097665 192355583 /nfs/dbraw/zinc/35/55/83/192355583.db2.gz FOUCSLKHMAPFLP-CYBMUJFWSA-N 1 0 322.474 2.492 50 0 DEAARO CCC[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000082138477 192360130 /nfs/dbraw/zinc/36/01/30/192360130.db2.gz LFSRPHZFOARQBY-FRFGOACMSA-N 1 0 322.474 2.350 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)CCc2ccc3c(c2)CCO3)o1 ZINC000095404853 185355517 /nfs/dbraw/zinc/35/55/17/185355517.db2.gz WYRRAYMHHBGIJG-UHFFFAOYSA-N 1 0 314.385 2.249 50 0 DEAARO C[C@@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000095405343 185355628 /nfs/dbraw/zinc/35/56/28/185355628.db2.gz VVEJWMOJTHTPSY-GDBMZVCRSA-N 1 0 319.453 2.141 50 0 DEAARO COC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000095415519 185358878 /nfs/dbraw/zinc/35/88/78/185358878.db2.gz SWOHSNVJCBGZOS-CQSZACIVSA-N 1 0 303.337 2.304 50 0 DEAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1coc(Br)c1 ZINC000097019696 185398346 /nfs/dbraw/zinc/39/83/46/185398346.db2.gz RYWWNIKECVJXTF-SNVBAGLBSA-N 1 0 303.200 2.488 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc2c(c1)CCO2 ZINC000095472318 185372556 /nfs/dbraw/zinc/37/25/56/185372556.db2.gz BKAPTTHKMCFGGT-INIZCTEOSA-N 1 0 302.418 2.155 50 0 DEAARO CC(C)(C[NH2+][C@H]1CCC[C@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000097033391 185399816 /nfs/dbraw/zinc/39/98/16/185399816.db2.gz MVFUTTXTDKQTHE-LSDHHAIUSA-N 1 0 317.495 2.385 50 0 DEAARO CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)[NH+](C)C ZINC000023195894 190648800 /nfs/dbraw/zinc/64/88/00/190648800.db2.gz AGYIEQXKTZNEJK-OAHLLOKOSA-N 1 0 302.422 2.198 50 0 DEAARO Cc1nnc(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)s1 ZINC000299758604 282313729 /nfs/dbraw/zinc/31/37/29/282313729.db2.gz LBMQOAJIWYCQRY-HNNXBMFYSA-N 1 0 302.447 2.335 50 0 DEAARO CNC(=O)CN1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000170070045 197767632 /nfs/dbraw/zinc/76/76/32/197767632.db2.gz XPAOISUIXYHXSE-IFXJQAMLSA-N 1 0 315.461 2.028 50 0 DEAARO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000084810552 539399284 /nfs/dbraw/zinc/39/92/84/539399284.db2.gz OPMQAHURBBTMAP-MRXNPFEDSA-N 1 0 320.433 2.442 50 0 DEAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000067878506 190730687 /nfs/dbraw/zinc/73/06/87/190730687.db2.gz WNBPIDRKAWNFFW-HNNXBMFYSA-N 1 0 312.417 2.297 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCc3ccncc3)C2)nn1 ZINC000069815195 190823855 /nfs/dbraw/zinc/82/38/55/190823855.db2.gz GZLSBJQENMHAJD-QGZVFWFLSA-N 1 0 311.433 2.323 50 0 DEAARO CC(C)c1ncc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000071750510 191022506 /nfs/dbraw/zinc/02/25/06/191022506.db2.gz JNIGXCUZGUJTEA-UHFFFAOYSA-N 1 0 302.422 2.206 50 0 DEAARO Cc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)n1 ZINC000072145946 191052610 /nfs/dbraw/zinc/05/26/10/191052610.db2.gz PDHJKUMHOHKTGZ-QGZVFWFLSA-N 1 0 318.465 2.170 50 0 DEAARO COCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000072151138 191055469 /nfs/dbraw/zinc/05/54/69/191055469.db2.gz CRCOXRKMVSUBEZ-SFHVURJKSA-N 1 0 302.418 2.261 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)CC2)cc1OC ZINC000072154591 191058565 /nfs/dbraw/zinc/05/85/65/191058565.db2.gz HUWFCHNSMUYKKT-QGZVFWFLSA-N 1 0 320.389 2.168 50 0 DEAARO COc1cccc(NC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c1 ZINC000072161306 191061996 /nfs/dbraw/zinc/06/19/96/191061996.db2.gz VQLHDCXYZQJIEK-KRWDZBQOSA-N 1 0 321.421 2.006 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)NC[C@]1(O)CCC[NH2+]CC1 ZINC000072157621 191060750 /nfs/dbraw/zinc/06/07/50/191060750.db2.gz NXUFNRRQQCQJBN-HNNXBMFYSA-N 1 0 311.813 2.275 50 0 DEAARO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(F)c1)CC2 ZINC000072171491 191069396 /nfs/dbraw/zinc/06/93/96/191069396.db2.gz BJUGUOXFVYMLQD-OAHLLOKOSA-N 1 0 306.381 2.197 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000072171342 191070004 /nfs/dbraw/zinc/07/00/04/191070004.db2.gz GLRYFGFDAQPRAF-ZDUSSCGKSA-N 1 0 312.360 2.286 50 0 DEAARO C[C@H](C(=O)N1CCC[C@H](c2cc[nH]n2)C1)[NH+]1CCCCCC1 ZINC000072300274 191113680 /nfs/dbraw/zinc/11/36/80/191113680.db2.gz QCZCSETZUUFKJX-CABCVRRESA-N 1 0 304.438 2.380 50 0 DEAARO Cc1ncc2c(c1CNC(=O)c1cccc(N(C)C)c1)CC[NH2+]C2 ZINC000072423887 191159778 /nfs/dbraw/zinc/15/97/78/191159778.db2.gz QSFQKPAQVQEOOI-UHFFFAOYSA-N 1 0 324.428 2.032 50 0 DEAARO Cc1ccccc1OC[C@H](C)Nc1ncnc2c1CC[NH2+]CC2 ZINC000072428800 191161557 /nfs/dbraw/zinc/16/15/57/191161557.db2.gz OPMXNOBUKABGGN-AWEZNQCLSA-N 1 0 312.417 2.353 50 0 DEAARO CCOc1ccc(S(=O)(=O)NCCC[NH+](CC)CC)cc1 ZINC000003624021 181042428 /nfs/dbraw/zinc/04/24/28/181042428.db2.gz ZBDVLXRSLGRTTC-UHFFFAOYSA-N 1 0 314.451 2.096 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000004163780 181080486 /nfs/dbraw/zinc/08/04/86/181080486.db2.gz MFIPTRYHNPUUOQ-UHFFFAOYSA-N 1 0 313.401 2.261 50 0 DEAARO c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cc2)cn1 ZINC000069620986 354871172 /nfs/dbraw/zinc/87/11/72/354871172.db2.gz KTUGQWKFRSSGGU-QGZVFWFLSA-N 1 0 308.389 2.128 50 0 DEAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000071877230 354897966 /nfs/dbraw/zinc/89/79/66/354897966.db2.gz QALBIVKBDWALDT-AWEZNQCLSA-N 1 0 314.437 2.256 50 0 DEAARO CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000076041593 355120379 /nfs/dbraw/zinc/12/03/79/355120379.db2.gz VANBOLJVQDZTOS-HUUCEWRRSA-N 1 0 318.417 2.018 50 0 DEAARO C[C@H]1CN([C@@H](C[NH2+]Cc2nccn2C)c2cccs2)CCO1 ZINC000075603923 355095806 /nfs/dbraw/zinc/09/58/06/355095806.db2.gz NCTSQKRVHZWQOO-KBPBESRZSA-N 1 0 320.462 2.033 50 0 DEAARO CCOC(=O)C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000004978298 181182861 /nfs/dbraw/zinc/18/28/61/181182861.db2.gz IXUCEDLWRMKARK-UHFFFAOYSA-N 1 0 304.390 2.420 50 0 DEAARO COC(=O)CC1(NC(=O)CC2=CCCCC2)CC[NH+](C)CC1 ZINC000079013337 355291514 /nfs/dbraw/zinc/29/15/14/355291514.db2.gz UHGLUPSWVVTOGQ-UHFFFAOYSA-N 1 0 308.422 2.021 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000079073431 355295133 /nfs/dbraw/zinc/29/51/33/355295133.db2.gz AHRDAUQYBOKLLA-DGIBIBHMSA-N 1 0 305.875 2.444 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000078898505 355284409 /nfs/dbraw/zinc/28/44/09/355284409.db2.gz CHTZXUVZYVCDIJ-DOMZBBRYSA-N 1 0 316.401 2.152 50 0 DEAARO COc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000084714956 355485407 /nfs/dbraw/zinc/48/54/07/355485407.db2.gz YFQQPIPOHLYFTN-XJKSGUPXSA-N 1 0 302.418 2.432 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)c1nc(C)no1 ZINC000084736192 355485748 /nfs/dbraw/zinc/48/57/48/355485748.db2.gz VBQPMKVHVFXMFV-IACUBPJLSA-N 1 0 308.426 2.312 50 0 DEAARO COc1cccc2cc([C@@H](C)NC(=O)[C@@]3(F)CC[NH2+]C3)oc21 ZINC000170677398 355990911 /nfs/dbraw/zinc/99/09/11/355990911.db2.gz RKGGOGWMRNQJJR-QLJPJBMISA-N 1 0 306.337 2.320 50 0 DEAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000005446132 181244081 /nfs/dbraw/zinc/24/40/81/181244081.db2.gz DYXZVYXAGUALPC-GFCCVEGCSA-N 1 0 302.296 2.413 50 0 DEAARO C[C@H]1C[NH+](CC2CCOCC2)C[C@H](C)N1CC1CCOCC1 ZINC000187111991 356212857 /nfs/dbraw/zinc/21/28/57/356212857.db2.gz DNJWMKHDFFASAJ-HOTGVXAUSA-N 1 0 310.482 2.234 50 0 DEAARO CCc1ccccc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000192500738 356220869 /nfs/dbraw/zinc/22/08/69/356220869.db2.gz OTQRKTWELXCEFF-UHFFFAOYSA-N 1 0 317.477 2.395 50 0 DEAARO C[C@@H](CCc1ccc(F)c(F)c1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000195549880 356256195 /nfs/dbraw/zinc/25/61/95/356256195.db2.gz PTYOBJMEODWSRL-WCQYABFASA-N 1 0 317.401 2.453 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1Cl ZINC000195555358 356257221 /nfs/dbraw/zinc/25/72/21/356257221.db2.gz VLMKSEUMIAOHTI-QWRGUYRKSA-N 1 0 302.827 2.149 50 0 DEAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2ccccc2)n1 ZINC000229492610 356282090 /nfs/dbraw/zinc/28/20/90/356282090.db2.gz NYCONMAAGPSQGH-DLBZAZTESA-N 1 0 312.417 2.191 50 0 DEAARO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOC[C@H]2C)cc1 ZINC000221360318 356274416 /nfs/dbraw/zinc/27/44/16/356274416.db2.gz KJJIHTWDAAPXTB-ZNMIVQPWSA-N 1 0 319.449 2.405 50 0 DEAARO CC(C)C(CNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000194841629 356245680 /nfs/dbraw/zinc/24/56/80/356245680.db2.gz XAOVMJWMKMAOQJ-UHFFFAOYSA-N 1 0 313.486 2.325 50 0 DEAARO CCn1cc(C2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)cn1 ZINC000237017698 202124556 /nfs/dbraw/zinc/12/45/56/202124556.db2.gz MYKJWHPZTDLSSQ-GOEBONIOSA-N 1 0 304.438 2.127 50 0 DEAARO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(CC)nnc1C ZINC000585082310 540255998 /nfs/dbraw/zinc/25/59/98/540255998.db2.gz AKCZBTSGFXEBRK-UHFFFAOYSA-N 1 0 304.438 2.295 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000237157181 202170467 /nfs/dbraw/zinc/17/04/67/202170467.db2.gz NDGFZIXANDKCPX-JTQLQIEISA-N 1 0 320.817 2.160 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237161887 202171192 /nfs/dbraw/zinc/17/11/92/202171192.db2.gz DOJVZSHNRGUSJR-SFHVURJKSA-N 1 0 301.434 2.245 50 0 DEAARO COc1ccc2c(CC(=O)N3CCC[C@H](C[NH3+])C3)coc2c1 ZINC000237267250 202210972 /nfs/dbraw/zinc/21/09/72/202210972.db2.gz JMPRZKMGQYQGNX-GFCCVEGCSA-N 1 0 302.374 2.181 50 0 DEAARO C[C@H](CCn1cccn1)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000584903233 357331268 /nfs/dbraw/zinc/33/12/68/357331268.db2.gz DPWDHKBFDOTZLO-MRXNPFEDSA-N 1 0 314.433 2.185 50 0 DEAARO COc1cccc2c(=O)n(CC[NH+]3CCCCCC3)cnc12 ZINC000584903984 357331412 /nfs/dbraw/zinc/33/14/12/357331412.db2.gz UULXYBBSDYCDJW-UHFFFAOYSA-N 1 0 301.390 2.281 50 0 DEAARO COc1ccc(C[NH2+]CC2(O)CCOCC2)c(OC(C)C)c1 ZINC000237334713 202235572 /nfs/dbraw/zinc/23/55/72/202235572.db2.gz UVDREEAJKCVXBD-UHFFFAOYSA-N 1 0 309.406 2.114 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000237388741 202251678 /nfs/dbraw/zinc/25/16/78/202251678.db2.gz IZCPRUKIJRYBSS-DOMZBBRYSA-N 1 0 316.380 2.353 50 0 DEAARO Cc1nc(C)c([C@H](C)N(C)C(=O)C[NH2+]C[C@H]2CCCO2)s1 ZINC000237596287 202296286 /nfs/dbraw/zinc/29/62/86/202296286.db2.gz YFTVMKWGWTYKQN-WCQYABFASA-N 1 0 311.451 2.048 50 0 DEAARO C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)[C@H]1C[NH3+] ZINC000237641076 202313536 /nfs/dbraw/zinc/31/35/36/202313536.db2.gz NKUHRIJPJKYWSE-GWCFXTLKSA-N 1 0 304.419 2.338 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000237851914 202371199 /nfs/dbraw/zinc/37/11/99/202371199.db2.gz UMWQNDPLOOIUPD-NSHDSACASA-N 1 0 324.306 2.064 50 0 DEAARO Cn1cncc1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237932355 202395262 /nfs/dbraw/zinc/39/52/62/202395262.db2.gz KLGHNNXRWZITRU-AWEZNQCLSA-N 1 0 304.463 2.483 50 0 DEAARO C[N@H+](CCC(=O)N1CCc2ccccc2C1)CC1CCOCC1 ZINC000189147253 200355633 /nfs/dbraw/zinc/35/56/33/200355633.db2.gz UVCRBGIXFDDBPV-UHFFFAOYSA-N 1 0 316.445 2.320 50 0 DEAARO Cc1ncn(CC[NH2+]C2CCN(Cc3ccco3)CC2)c1C ZINC000670435296 540932514 /nfs/dbraw/zinc/93/25/14/540932514.db2.gz BGDLOCACMXKRLC-UHFFFAOYSA-N 1 0 302.422 2.347 50 0 DEAARO Cc1cccc(N2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC000670440818 540933935 /nfs/dbraw/zinc/93/39/35/540933935.db2.gz BCIJFKNRWKIJSL-UHFFFAOYSA-N 1 0 301.434 2.176 50 0 DEAARO O=C(NCCc1noc(C2CC2)n1)C1([NH+]2CCCC2)CCCC1 ZINC000670444307 540934096 /nfs/dbraw/zinc/93/40/96/540934096.db2.gz KTPFPTLMOWQEDI-UHFFFAOYSA-N 1 0 318.421 2.014 50 0 DEAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C/C(C)=C\C(=O)OC)C1 ZINC000606446046 361010115 /nfs/dbraw/zinc/01/01/15/361010115.db2.gz HCSIGUPVWDLINQ-ZKHYDWRDSA-N 1 0 310.438 2.123 50 0 DEAARO C[C@@H](C[NH+]1CCCC1)C(=O)NCCc1nc2ccccc2o1 ZINC000670455701 540936255 /nfs/dbraw/zinc/93/62/55/540936255.db2.gz RMYZOMBFHUMKNX-ZDUSSCGKSA-N 1 0 301.390 2.218 50 0 DEAARO O[C@H]1CN(Cc2cccc3cnccc32)C[C@@H]1[NH+]1CCCCC1 ZINC000670457971 540936841 /nfs/dbraw/zinc/93/68/41/540936841.db2.gz SISUBTPDRJWICT-OALUTQOASA-N 1 0 311.429 2.266 50 0 DEAARO Clc1ccccc1OC1CC[NH+](CCn2cnnc2)CC1 ZINC000670468142 540938017 /nfs/dbraw/zinc/93/80/17/540938017.db2.gz AIPWZUROYWOMAI-UHFFFAOYSA-N 1 0 306.797 2.475 50 0 DEAARO COc1cccc([C@@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194036460 201167473 /nfs/dbraw/zinc/16/74/73/201167473.db2.gz WKNZECROGJZJDW-YYIAUSFCSA-N 1 0 303.402 2.276 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(C)c2)C1 ZINC000006499518 181346327 /nfs/dbraw/zinc/34/63/27/181346327.db2.gz KLSDYSGLGFIDTD-JKSUJKDBSA-N 1 0 321.417 2.010 50 0 DEAARO 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O=C([C@@H]1CCC[NH2+]1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000261779747 203115665 /nfs/dbraw/zinc/11/56/65/203115665.db2.gz TVNAVLXHANRWLI-JKSUJKDBSA-N 1 0 322.836 2.364 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870682 193321201 /nfs/dbraw/zinc/32/12/01/193321201.db2.gz PZBDKLWBLHAXPK-CQSZACIVSA-N 1 0 315.465 2.343 50 0 DEAARO COc1ccc2c(c1)C[C@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000095973577 193468934 /nfs/dbraw/zinc/46/89/34/193468934.db2.gz ZIODFZMKTBWMGZ-SJLPKXTDSA-N 1 0 305.418 2.338 50 0 DEAARO c1ccc2c(c1)CCN2CC1CC[NH+](CC2OCCO2)CC1 ZINC000095992496 193482698 /nfs/dbraw/zinc/48/26/98/193482698.db2.gz WUDAUQKGOZPUJH-UHFFFAOYSA-N 1 0 302.418 2.134 50 0 DEAARO Cn1cc(C2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)cn1 ZINC000097202972 193690562 /nfs/dbraw/zinc/69/05/62/193690562.db2.gz LUNNSLIJOQRUSR-QGZVFWFLSA-N 1 0 303.381 2.472 50 0 DEAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1 ZINC000015934868 182025038 /nfs/dbraw/zinc/02/50/38/182025038.db2.gz 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/nfs/dbraw/zinc/20/24/46/182202446.db2.gz ZPQMLSOOQRLNQV-UHFFFAOYSA-N 1 0 312.841 2.257 50 0 DEAARO C[C@@H](NC(=O)CCC1CC[NH+](C)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000097681952 193746941 /nfs/dbraw/zinc/74/69/41/193746941.db2.gz GHXROBNEMUUCDJ-FZKQIMNGSA-N 1 0 320.433 2.052 50 0 DEAARO O=C(c1ccccc1-n1cccn1)N1CC[NH+](CC2CC2)CC1 ZINC000020515562 182226280 /nfs/dbraw/zinc/22/62/80/182226280.db2.gz NUDYSFQWFPXZRG-UHFFFAOYSA-N 1 0 310.401 2.040 50 0 DEAARO COCc1cn(C[C@@H]2CCC[N@H+](Cc3ccsc3)C2)nn1 ZINC000020654170 182242361 /nfs/dbraw/zinc/24/23/61/182242361.db2.gz WOPBAJFQLAQZGY-CYBMUJFWSA-N 1 0 306.435 2.398 50 0 DEAARO OCc1cn(C[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)nn1 ZINC000020862558 182250353 /nfs/dbraw/zinc/25/03/53/182250353.db2.gz RXQZFARYWZYPDF-MRXNPFEDSA-N 1 0 306.454 2.453 50 0 DEAARO CC[NH+](CC)CCCNC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000021095296 182264513 /nfs/dbraw/zinc/26/45/13/182264513.db2.gz SYKAVZXTHXFAMZ-UHFFFAOYSA-N 1 0 318.417 2.319 50 0 DEAARO C[C@H](CCNC(=O)C1=Cc2ccccc2OC1)[NH+]1CCCC1 ZINC000021941895 182299500 /nfs/dbraw/zinc/29/95/00/182299500.db2.gz JAUKNBRCGDLOHA-CQSZACIVSA-N 1 0 300.402 2.453 50 0 DEAARO COc1cc(OC)c(CNC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000022820182 182335837 /nfs/dbraw/zinc/33/58/37/182335837.db2.gz GTDLNMOVNBCYPM-UHFFFAOYSA-N 1 0 320.433 2.429 50 0 DEAARO NC(=O)c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000022808117 182335920 /nfs/dbraw/zinc/33/59/20/182335920.db2.gz BJRAGIVZLYUAKH-UHFFFAOYSA-N 1 0 323.440 2.493 50 0 DEAARO CCC[NH+]1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000023114608 182348480 /nfs/dbraw/zinc/34/84/80/182348480.db2.gz OGZWCVHJFYDWEQ-UHFFFAOYSA-N 1 0 324.856 2.489 50 0 DEAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000023127910 182349539 /nfs/dbraw/zinc/34/95/39/182349539.db2.gz DBOUYKVZAOOEBJ-UHFFFAOYSA-N 1 0 304.390 2.266 50 0 DEAARO Nc1nc(Cl)cc(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000024056763 182374551 /nfs/dbraw/zinc/37/45/51/182374551.db2.gz RLQNSKOXBYSJIT-UHFFFAOYSA-N 1 0 317.824 2.425 50 0 DEAARO O=C1[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1c1ccccc1 ZINC000100096580 193794083 /nfs/dbraw/zinc/79/40/83/193794083.db2.gz USWUQRVKTQVBJU-IAGOWNOFSA-N 1 0 306.365 2.308 50 0 DEAARO Cc1c(Cl)cccc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000036300084 182814716 /nfs/dbraw/zinc/81/47/16/182814716.db2.gz SQWSVOAYNNFVOW-UHFFFAOYSA-N 1 0 302.827 2.021 50 0 DEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccnn2C)C1 ZINC000681465965 542151769 /nfs/dbraw/zinc/15/17/69/542151769.db2.gz RBNXJOJJTDPBGC-DZGCQCFKSA-N 1 0 313.405 2.377 50 0 DEAARO C[C@@H](O)c1ccc(-c2ccc(CNCC[NH2+]C[C@H](C)O)o2)cc1 ZINC000038246111 182996465 /nfs/dbraw/zinc/99/64/65/182996465.db2.gz RAFNFWJWBDXRDD-UONOGXRCSA-N 1 0 318.417 2.060 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)Cc2ccccc2Cl)CC1 ZINC000038582874 183003480 /nfs/dbraw/zinc/00/34/80/183003480.db2.gz BTFYXFGDKRLTCI-UHFFFAOYSA-N 1 0 324.852 2.357 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccsc1 ZINC000040089495 183032980 /nfs/dbraw/zinc/03/29/80/183032980.db2.gz WCTHJGXFTAGIPX-AWEZNQCLSA-N 1 0 319.430 2.249 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000040107563 183036096 /nfs/dbraw/zinc/03/60/96/183036096.db2.gz APHAVSNSLUJRKX-ZKKXHLJNSA-N 1 0 314.429 2.483 50 0 DEAARO O=C(CCn1ncc2c1cccc2Cl)NCC[NH+]1CCCC1 ZINC000040769142 183131727 /nfs/dbraw/zinc/13/17/27/183131727.db2.gz JXOUCXSRWMSSTJ-UHFFFAOYSA-N 1 0 320.824 2.292 50 0 DEAARO CC[NH2+]Cc1nc2c(c3ccccc3nc2N)n1CC(C)(C)O ZINC000040897136 183147333 /nfs/dbraw/zinc/14/73/33/183147333.db2.gz FHJATBIERQTCTN-UHFFFAOYSA-N 1 0 313.405 2.047 50 0 in-vitro DEAARO O=C(NCCCC[NH+]1CCOCC1)c1c(F)cccc1Cl ZINC000041571531 183205481 /nfs/dbraw/zinc/20/54/81/183205481.db2.gz KZTHRVKVULWMRW-UHFFFAOYSA-N 1 0 314.788 2.321 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1Br ZINC000493267604 249264931 /nfs/dbraw/zinc/26/49/31/249264931.db2.gz OHQLIGZPVBOMDZ-KRZKBDHCSA-N 1 0 309.207 2.412 50 0 DEAARO Cc1nc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cs1 ZINC000042206778 183243066 /nfs/dbraw/zinc/24/30/66/183243066.db2.gz RDEQNGRIVHZCBZ-UHFFFAOYSA-N 1 0 305.403 2.439 50 0 DEAARO Cc1nn(C)c2sc(C(=O)NC3CC[NH+](C4CC4)CC3)cc12 ZINC000044217070 183398891 /nfs/dbraw/zinc/39/88/91/183398891.db2.gz HHTQELCSNNSEOH-UHFFFAOYSA-N 1 0 318.446 2.300 50 0 DEAARO c1coc(-c2nnc(CN3CCC[C@H]([NH+]4CCCC4)C3)o2)c1 ZINC000044975484 183470643 /nfs/dbraw/zinc/47/06/43/183470643.db2.gz KVJQKVJJXRREIA-ZDUSSCGKSA-N 1 0 302.378 2.390 50 0 DEAARO CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000106535227 194226495 /nfs/dbraw/zinc/22/64/95/194226495.db2.gz RWDHNBWOWYEVCT-IAGOWNOFSA-N 1 0 317.433 2.081 50 0 DEAARO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000110660600 194347360 /nfs/dbraw/zinc/34/73/60/194347360.db2.gz DMZUFSZBMOQWBB-MEBBXXQBSA-N 1 0 316.804 2.357 50 0 DEAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000110797696 194359533 /nfs/dbraw/zinc/35/95/33/194359533.db2.gz BJIAOXGFRHJRMS-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000268928177 207094934 /nfs/dbraw/zinc/09/49/34/207094934.db2.gz LRVGZWSHTGPPPZ-GFCCVEGCSA-N 1 0 306.406 2.256 50 0 DEAARO Cc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000057045211 184025670 /nfs/dbraw/zinc/02/56/70/184025670.db2.gz ZSXPMGCJWQLBOW-UHFFFAOYSA-N 1 0 322.474 2.170 50 0 DEAARO CC(C)CN1C(=O)C(=O)N(C[NH+](CC(C)C)CC(C)C)C1=O ZINC000057394917 184036939 /nfs/dbraw/zinc/03/69/39/184036939.db2.gz RPPNJQUEWMMZHR-UHFFFAOYSA-N 1 0 311.426 2.005 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000057557120 184042010 /nfs/dbraw/zinc/04/20/10/184042010.db2.gz ZVZUPGPEJUDGCJ-INIZCTEOSA-N 1 0 318.417 2.259 50 0 DEAARO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058173876 184084204 /nfs/dbraw/zinc/08/42/04/184084204.db2.gz ZAIWSMAXXPPCDX-VXGBXAGGSA-N 1 0 308.809 2.460 50 0 DEAARO COC(=O)c1oc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000058365253 184109273 /nfs/dbraw/zinc/10/92/73/184109273.db2.gz PMYRTGMGQOVTMX-AWEZNQCLSA-N 1 0 306.406 2.435 50 0 DEAARO O=C(CCN1CCC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000058378176 184110193 /nfs/dbraw/zinc/11/01/93/184110193.db2.gz ZROVRYFZNSXCPF-QGZVFWFLSA-N 1 0 313.445 2.136 50 0 DEAARO COCCN(Cc1cccs1)C(=O)NC1CC[NH+](C)CC1 ZINC000058248379 184094968 /nfs/dbraw/zinc/09/49/68/184094968.db2.gz IBMSEFVVDLDALA-UHFFFAOYSA-N 1 0 311.451 2.000 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000058407388 184114155 /nfs/dbraw/zinc/11/41/55/184114155.db2.gz MFDBYRZVMVYOFL-NSHDSACASA-N 1 0 316.405 2.374 50 0 DEAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000060062147 184143881 /nfs/dbraw/zinc/14/38/81/184143881.db2.gz GJOHYRNEMYTLJM-FUHWJXTLSA-N 1 0 306.369 2.220 50 0 DEAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCCO2 ZINC000062001555 184200579 /nfs/dbraw/zinc/20/05/79/184200579.db2.gz AAOCWUAGGVVIAJ-IEBWSBKVSA-N 1 0 322.364 2.382 50 0 biogenic DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)cc1 ZINC000064345650 184295481 /nfs/dbraw/zinc/29/54/81/184295481.db2.gz GWJJRESPAQNXDI-UONOGXRCSA-N 1 0 309.797 2.325 50 0 DEAARO Cc1ccc(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000065363444 184329013 /nfs/dbraw/zinc/32/90/13/184329013.db2.gz XVLNUGNRYZVBNP-UHFFFAOYSA-N 1 0 310.463 2.314 50 0 DEAARO CN(CCCc1cnn(C)c1)C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065373092 184330630 /nfs/dbraw/zinc/33/06/30/184330630.db2.gz ZPVBRKMBWWPOAZ-UHFFFAOYSA-N 1 0 318.465 2.220 50 0 DEAARO O=C(c1ccc(Cl)o1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000065415734 184340807 /nfs/dbraw/zinc/34/08/07/184340807.db2.gz QYTRBAJNDGMBEJ-GFCCVEGCSA-N 1 0 312.797 2.260 50 0 DEAARO CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000065463007 184349315 /nfs/dbraw/zinc/34/93/15/184349315.db2.gz XCGPKGTUWZPQKT-ZBFHGGJFSA-N 1 0 320.481 2.298 50 0 DEAARO Cc1cccn2cc(C(=O)N3CCC4(CC[N@@H+](C)C4)CC3)nc12 ZINC000065464459 184349555 /nfs/dbraw/zinc/34/95/55/184349555.db2.gz PIVRKONTVMZDCQ-UHFFFAOYSA-N 1 0 312.417 2.201 50 0 DEAARO COc1ccc(C(=O)CCC(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)cc1 ZINC000065527907 184360159 /nfs/dbraw/zinc/36/01/59/184360159.db2.gz FVUDNSQOBRKNBD-CABCVRRESA-N 1 0 316.401 2.011 50 0 DEAARO COCC(=O)NCC1=CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000065528688 184360397 /nfs/dbraw/zinc/36/03/97/184360397.db2.gz YMTAFLZUWPRBIL-WEVVVXLNSA-N 1 0 300.402 2.095 50 0 DEAARO COC(=O)c1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000065592806 184370519 /nfs/dbraw/zinc/37/05/19/184370519.db2.gz ZPDGHOZIQGZAFT-UHFFFAOYSA-N 1 0 316.401 2.174 50 0 DEAARO O=C(Cc1ccc2ccccc2c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000065606463 184371639 /nfs/dbraw/zinc/37/16/39/184371639.db2.gz BLNKRMQBTDWLTD-RTBURBONSA-N 1 0 324.424 2.362 50 0 DEAARO Cc1cccc([C@H](C(=O)NCc2ccc(C[NH3+])cc2)N(C)C)c1 ZINC000065496018 184354999 /nfs/dbraw/zinc/35/49/99/184354999.db2.gz BRGAVPNOOMAWTL-GOSISDBHSA-N 1 0 311.429 2.373 50 0 DEAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)O[C@H](C)C2 ZINC000269215643 207334502 /nfs/dbraw/zinc/33/45/02/207334502.db2.gz VFKBEAHMXZEKOT-LALPHHSUSA-N 1 0 318.417 2.152 50 0 DEAARO CCCc1n[nH]cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000120091848 195094480 /nfs/dbraw/zinc/09/44/80/195094480.db2.gz XZLJNQNYSKLGJO-UHFFFAOYSA-N 1 0 300.406 2.354 50 0 DEAARO CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158563998 197283870 /nfs/dbraw/zinc/28/38/70/197283870.db2.gz IJBBXEXWAYUIOC-DOMZBBRYSA-N 1 0 312.360 2.318 50 0 DEAARO C[C@@H]([NH3+])C(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000157956433 197230462 /nfs/dbraw/zinc/23/04/62/197230462.db2.gz RIQLGPCLPHFBME-SSDOTTSWSA-N 1 0 303.225 2.349 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000157928798 197228207 /nfs/dbraw/zinc/22/82/07/197228207.db2.gz KEPAULRTJIXOKT-MRXNPFEDSA-N 1 0 311.385 2.321 50 0 DEAARO C[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)[C@H]1C[NH3+] ZINC000156862331 197145959 /nfs/dbraw/zinc/14/59/59/197145959.db2.gz QOJXPUAWVHPMJB-AAEUAGOBSA-N 1 0 316.430 2.405 50 0 DEAARO CCOc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCSC)CC2 ZINC000156503891 197119366 /nfs/dbraw/zinc/11/93/66/197119366.db2.gz TXYAYAODNPECFC-OAHLLOKOSA-N 1 0 308.447 2.050 50 0 DEAARO [NH3+]C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000155581358 197069286 /nfs/dbraw/zinc/06/92/86/197069286.db2.gz NMGMOLACLDIZEE-AWEZNQCLSA-N 1 0 304.390 2.095 50 0 DEAARO CC[N@H+](CC(=O)N(C)c1nccs1)[C@H]1CCOC(C)(C)C1 ZINC000289827098 221252201 /nfs/dbraw/zinc/25/22/01/221252201.db2.gz OJSXOVGYNBAWMA-LBPRGKRZSA-N 1 0 311.451 2.385 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000521394629 257241064 /nfs/dbraw/zinc/24/10/64/257241064.db2.gz FRXGHWLPJQCINJ-JQEORGNBSA-N 1 0 317.216 2.270 50 0 DEAARO COc1ccc(OC)c(-c2cn(O)c3c([n+]2=O)CCCC3)c1 ZINC000334157391 257261865 /nfs/dbraw/zinc/26/18/65/257261865.db2.gz NGHUIERPJRZHMU-UHFFFAOYSA-N 1 0 303.338 2.203 50 0 DEAARO Cc1cccc(N2CCC([NH2+]C[C@@H](C)N3CCOCC3)CC2)c1 ZINC000067472951 134834876 /nfs/dbraw/zinc/83/48/76/134834876.db2.gz XDSFUCXAOOXHBN-QGZVFWFLSA-N 1 0 317.477 2.274 50 0 DEAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(=O)NCC(F)(F)F ZINC000193184486 145083608 /nfs/dbraw/zinc/08/36/08/145083608.db2.gz DOBAASBEIWFYPI-YUMQZZPRSA-N 1 0 323.340 2.175 50 0 DEAARO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC[NH+](C)C ZINC000003199291 401722625 /nfs/dbraw/zinc/72/26/25/401722625.db2.gz ITMPCUMOUBNNMT-UHFFFAOYSA-N 1 0 306.797 2.126 50 0 DEAARO C[NH+]1CCN(c2nc(-c3ccccn3)nc3ccccc32)CC1 ZINC000005557457 401730107 /nfs/dbraw/zinc/73/01/07/401730107.db2.gz NIVKYFMSODCHBA-UHFFFAOYSA-N 1 0 305.385 2.444 50 0 DEAARO Cc1ccc([C@H](OC[C@H](O)C[NH2+]CCO)c2ccccc2)cc1 ZINC000006936160 401734701 /nfs/dbraw/zinc/73/47/01/401734701.db2.gz AFNARYZLVYNTOL-RTBURBONSA-N 1 0 315.413 2.044 50 0 DEAARO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000007982382 401746531 /nfs/dbraw/zinc/74/65/31/401746531.db2.gz DCEWLIMBAGLBFQ-HOCLYGCPSA-N 1 0 323.433 2.313 50 0 DEAARO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(O)CC1 ZINC000000066356 401687703 /nfs/dbraw/zinc/68/77/03/401687703.db2.gz QOYUNOJTCPVWHJ-NSHDSACASA-N 1 0 320.216 2.190 50 0 DEAARO COc1ccc(C[NH2+]C[C@H]2CCCN2c2cccnn2)cc1F ZINC000071859833 401688641 /nfs/dbraw/zinc/68/86/41/401688641.db2.gz KCCGFHCLDCKNCG-CQSZACIVSA-N 1 0 316.380 2.383 50 0 DEAARO COc1ccc(CC[N@@H+]2CCCC[C@@H]2Cn2cncn2)cc1 ZINC000071876227 401690198 /nfs/dbraw/zinc/69/01/98/401690198.db2.gz JAFLYSLPMOTPLO-MRXNPFEDSA-N 1 0 300.406 2.384 50 0 DEAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2[C@H](C(N)=O)c2ccccc2)n1 ZINC000071876076 401690494 /nfs/dbraw/zinc/69/04/94/401690494.db2.gz NYCONMAAGPSQGH-IRXDYDNUSA-N 1 0 312.417 2.191 50 0 DEAARO C[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071877367 401691095 /nfs/dbraw/zinc/69/10/95/401691095.db2.gz PSSWMKURLFXHGV-ZDUSSCGKSA-N 1 0 319.836 2.387 50 0 DEAARO Cc1csc2nc(C[NH2+][C@H](C)[C@@H](C)n3cccn3)cc(=O)n12 ZINC000071882107 401691573 /nfs/dbraw/zinc/69/15/73/401691573.db2.gz LOGJGISSRKODDE-VXGBXAGGSA-N 1 0 317.418 2.000 50 0 DEAARO CCc1nc(CN2CCC[C@H]([N@H+](C)C[C@@H]3CCCCO3)C2)no1 ZINC000071882285 401691775 /nfs/dbraw/zinc/69/17/75/401691775.db2.gz HXVJNFJFZGCLFY-GJZGRUSLSA-N 1 0 322.453 2.097 50 0 DEAARO CO[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000071885784 401692414 /nfs/dbraw/zinc/69/24/14/401692414.db2.gz MEZVAWDDIIMWOF-ZDUSSCGKSA-N 1 0 308.397 2.189 50 0 DEAARO C[N@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000000307778 401694047 /nfs/dbraw/zinc/69/40/47/401694047.db2.gz SPWXEXFDXVEVGT-CQSZACIVSA-N 1 0 307.390 2.420 50 0 DEAARO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCO)CC1 ZINC000071900489 401694565 /nfs/dbraw/zinc/69/45/65/401694565.db2.gz KTLMBAWFWFODKO-LBPRGKRZSA-N 1 0 313.239 2.120 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000000422140 401697573 /nfs/dbraw/zinc/69/75/73/401697573.db2.gz BZESAOQBCLQZNC-UHFFFAOYSA-N 1 0 323.809 2.334 50 0 DEAARO CC[NH+](CC)CCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000002316233 401712678 /nfs/dbraw/zinc/71/26/78/401712678.db2.gz OHTBSLYTBHEDMN-UHFFFAOYSA-N 1 0 304.434 2.193 50 0 DEAARO Cc1cc(OC[C@H](O)C[NH2+]C[C@@H](C)O)c(C(C)C)cc1Cl ZINC000002624423 401716015 /nfs/dbraw/zinc/71/60/15/401716015.db2.gz MJTYNDUNVLZFHV-CHWSQXEVSA-N 1 0 315.841 2.482 50 0 DEAARO CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000013323840 401798860 /nfs/dbraw/zinc/79/88/60/401798860.db2.gz NPBVYNWWJOWVQD-MRXNPFEDSA-N 1 0 306.406 2.017 50 0 DEAARO CCC(C)(C)[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000013984848 401805541 /nfs/dbraw/zinc/80/55/41/401805541.db2.gz FDPFACCXEDFCPR-UHFFFAOYSA-N 1 0 305.378 2.219 50 0 DEAARO O=C(COc1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000014162823 401807989 /nfs/dbraw/zinc/80/79/89/401807989.db2.gz PVSRDGMFRRSXMD-UHFFFAOYSA-N 1 0 308.809 2.462 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009336152 401761696 /nfs/dbraw/zinc/76/16/96/401761696.db2.gz NBSLTLOAVFLELJ-OAHLLOKOSA-N 1 0 317.389 2.380 50 0 DEAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCCS(C)(=O)=O)c1 ZINC000075838567 401769508 /nfs/dbraw/zinc/76/95/08/401769508.db2.gz XVDPTWARCYMBBW-MRXNPFEDSA-N 1 0 310.463 2.324 50 0 DEAARO Cn1nccc1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011879486 401777606 /nfs/dbraw/zinc/77/76/06/401777606.db2.gz RUVITJAGQBFJLA-HNNXBMFYSA-N 1 0 304.438 2.195 50 0 DEAARO Cc1cccc(/C=C/C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000076041708 401778720 /nfs/dbraw/zinc/77/87/20/401778720.db2.gz RIANUNRWILABCF-QWNKOJSDSA-N 1 0 314.429 2.189 50 0 DEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH+]1CCCCC1 ZINC000012201465 401781945 /nfs/dbraw/zinc/78/19/45/401781945.db2.gz UHNMGGFUMROIPN-SFHVURJKSA-N 1 0 320.408 2.165 50 0 DEAARO O=C1C[C@@H]([NH2+]Cc2cnc[nH]2)CN1Cc1cccc2ccccc21 ZINC000012315098 401782993 /nfs/dbraw/zinc/78/29/93/401782993.db2.gz UDXTVQAQVVURGK-MRXNPFEDSA-N 1 0 320.396 2.454 50 0 DEAARO COCc1noc(-c2ccc(OC[C@]3(C)CCC[NH2+]C3)nc2)n1 ZINC000012386659 401784347 /nfs/dbraw/zinc/78/43/47/401784347.db2.gz XYSFEHZMWZUNAN-MRXNPFEDSA-N 1 0 318.377 2.047 50 0 DEAARO CCCC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000013003695 401795499 /nfs/dbraw/zinc/79/54/99/401795499.db2.gz UYTGZEJXSUTFAV-CYBMUJFWSA-N 1 0 303.406 2.482 50 0 DEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc2c[nH]nc21 ZINC000031339846 401870565 /nfs/dbraw/zinc/87/05/65/401870565.db2.gz OOTFBCBCMDOIKP-UHFFFAOYSA-N 1 0 320.396 2.351 50 0 DEAARO CC(C)c1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c(O)c(C(C)C)c1 ZINC000077504761 401817779 /nfs/dbraw/zinc/81/77/79/401817779.db2.gz NPXPWCSOXHIRPB-HZPDHXFCSA-N 1 0 320.433 2.092 50 0 DEAARO CCOc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020600381 401824154 /nfs/dbraw/zinc/82/41/54/401824154.db2.gz ODQGKXZCZGZALA-KRWDZBQOSA-N 1 0 306.450 2.362 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@@H](c1ccsc1)[NH+](C)C ZINC000026720487 401841630 /nfs/dbraw/zinc/84/16/30/401841630.db2.gz FYSKDIZIDUGJMZ-LBPRGKRZSA-N 1 0 302.407 2.140 50 0 DEAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000131335702 401848381 /nfs/dbraw/zinc/84/83/81/401848381.db2.gz JWLUMMFSYWIQCO-JGVFFNPUSA-N 1 0 307.341 2.296 50 0 DEAARO CN(C)c1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000029979806 401860636 /nfs/dbraw/zinc/86/06/36/401860636.db2.gz AUTKMTOVJJVCKS-UHFFFAOYSA-N 1 0 312.417 2.139 50 0 DEAARO CSc1ccc(C(=O)N2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000014979400 401814461 /nfs/dbraw/zinc/81/44/61/401814461.db2.gz CLYARBJQQJOBTD-CQSZACIVSA-N 1 0 308.447 2.201 50 0 DEAARO CC[C@@H]1CN(C(=O)c2ccc(N(C)CC)nc2)CC[N@@H+]1C(C)C ZINC000015067041 401815771 /nfs/dbraw/zinc/81/57/71/401815771.db2.gz IFFRGDQDJUJPIT-MRXNPFEDSA-N 1 0 318.465 2.483 50 0 DEAARO COc1ccc([C@H](CNc2nccc(OC)n2)[NH+](C)C)cc1 ZINC000015114931 401816543 /nfs/dbraw/zinc/81/65/43/401816543.db2.gz DRFZRWGPNMQLFG-AWEZNQCLSA-N 1 0 302.378 2.209 50 0 DEAARO CN(C)c1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccn1 ZINC000040535501 401926000 /nfs/dbraw/zinc/92/60/00/401926000.db2.gz GYGTYGZGQFYMJC-AWEZNQCLSA-N 1 0 318.446 2.242 50 0 DEAARO COc1ccc(C[N@H+](C)Cc2ccn(C)c(=O)c2)cc1OC ZINC000042112936 401931439 /nfs/dbraw/zinc/93/14/39/401931439.db2.gz RTQOYGJTNVCLCO-UHFFFAOYSA-N 1 0 302.374 2.035 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 ZINC000032780825 401882934 /nfs/dbraw/zinc/88/29/34/401882934.db2.gz PEZKVKCGDVUYAX-WMZOPIPTSA-N 1 0 310.397 2.409 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000035255885 401897716 /nfs/dbraw/zinc/89/77/16/401897716.db2.gz FCPMEORZUKHWOQ-VIFPVBQESA-N 1 0 303.225 2.269 50 0 DEAARO Cc1ccc(C[N@H+](C[C@H](O)COC(C)C)C[C@H]2CCCO2)o1 ZINC000036097958 401902795 /nfs/dbraw/zinc/90/27/95/401902795.db2.gz KCSMKIOAAXHAOW-JKSUJKDBSA-N 1 0 311.422 2.355 50 0 DEAARO [NH3+]CC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000036296716 401903886 /nfs/dbraw/zinc/90/38/86/401903886.db2.gz CKKGFZTUVHSMEV-UHFFFAOYSA-N 1 0 322.352 2.065 50 0 DEAARO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648174 401916544 /nfs/dbraw/zinc/91/65/44/401916544.db2.gz FGWYHAQSQBKUGO-GFCCVEGCSA-N 1 0 304.360 2.011 50 0 DEAARO C[C@@H]([NH2+]CCn1cccn1)c1cccc(N2CCOC2=O)c1 ZINC000089514766 401950787 /nfs/dbraw/zinc/95/07/87/401950787.db2.gz GUFOCIIEBYOHJK-CYBMUJFWSA-N 1 0 300.362 2.191 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000089534403 401951334 /nfs/dbraw/zinc/95/13/34/401951334.db2.gz XODXFBKZUZSOQW-ZIAGYGMSSA-N 1 0 313.401 2.069 50 0 DEAARO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)C)c2c1c(C)n[nH]c2=O ZINC000089568153 401951883 /nfs/dbraw/zinc/95/18/83/401951883.db2.gz PRYIDIJVOMJZDU-JTQLQIEISA-N 1 0 320.393 2.460 50 0 DEAARO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1sc(C)nc1C ZINC000089559179 401952022 /nfs/dbraw/zinc/95/20/22/401952022.db2.gz DZQPJQIOPCZNNJ-NSHDSACASA-N 1 0 300.449 2.240 50 0 DEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2nncs2)o1 ZINC000044973399 401952269 /nfs/dbraw/zinc/95/22/69/401952269.db2.gz KTHVDDHAXVMSLK-UHFFFAOYSA-N 1 0 309.395 2.035 50 0 DEAARO O=C1[C@@H]([NH2+]C[C@H]2CCCn3ccnc32)CCN1c1ccccc1 ZINC000089845609 401967820 /nfs/dbraw/zinc/96/78/20/401967820.db2.gz LHRMDPPDGZJSCV-ZBFHGGJFSA-N 1 0 310.401 2.156 50 0 DEAARO O=C1[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1ccccc1 ZINC000089845608 401967827 /nfs/dbraw/zinc/96/78/27/401967827.db2.gz LHRMDPPDGZJSCV-GOEBONIOSA-N 1 0 310.401 2.156 50 0 DEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000046502946 401970872 /nfs/dbraw/zinc/97/08/72/401970872.db2.gz PIYDCMIHTATIDW-CQSZACIVSA-N 1 0 304.390 2.073 50 0 DEAARO Cc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)nc1 ZINC000089926154 401973760 /nfs/dbraw/zinc/97/37/60/401973760.db2.gz TYCFXIZMTCZPQJ-MRXNPFEDSA-N 1 0 300.406 2.069 50 0 DEAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)[C@@H](C)C1 ZINC000089937603 401975080 /nfs/dbraw/zinc/97/50/80/401975080.db2.gz IRMACDRYYWIIHA-XJKSGUPXSA-N 1 0 318.417 2.194 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCOC1 ZINC000047778204 401988448 /nfs/dbraw/zinc/98/84/48/401988448.db2.gz WUYIBTRQFNOTJA-LSDHHAIUSA-N 1 0 321.421 2.142 50 0 DEAARO CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2C)cc1OC ZINC000089267904 401941332 /nfs/dbraw/zinc/94/13/32/401941332.db2.gz HLPSUGLHAXYIBX-CZUORRHYSA-N 1 0 320.433 2.440 50 0 DEAARO Cc1cc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000044908401 401950409 /nfs/dbraw/zinc/95/04/09/401950409.db2.gz VFLMQGWPGQTCQX-UHFFFAOYSA-N 1 0 300.362 2.163 50 0 DEAARO Cc1nnc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000053753311 402059322 /nfs/dbraw/zinc/05/93/22/402059322.db2.gz SREYPDXZCOGBKL-JTQLQIEISA-N 1 0 311.455 2.479 50 0 DEAARO CN(C)[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000095365856 402028368 /nfs/dbraw/zinc/02/83/68/402028368.db2.gz SYBZMWYROFXSNE-QGZVFWFLSA-N 1 0 321.440 2.421 50 0 DEAARO CCCc1nnc(N2CCCO[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000095378268 402030456 /nfs/dbraw/zinc/03/04/56/402030456.db2.gz MHRGFCBECVNWCK-AWEZNQCLSA-N 1 0 308.426 2.103 50 0 DEAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(OCC)OCC)C1 ZINC000095941562 402035135 /nfs/dbraw/zinc/03/51/35/402035135.db2.gz KOXMGODERWQAFH-CABCVRRESA-N 1 0 314.470 2.402 50 0 DEAARO CC(C)[N@H+](C)CC(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000095956264 402036888 /nfs/dbraw/zinc/03/68/88/402036888.db2.gz FTFFYNSKPZKWJG-KRWDZBQOSA-N 1 0 320.433 2.201 50 0 DEAARO COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1OC ZINC000095964880 402037913 /nfs/dbraw/zinc/03/79/13/402037913.db2.gz DJPKSGABMKQRFB-UKRRQHHQSA-N 1 0 304.434 2.461 50 0 DEAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000095972598 402038914 /nfs/dbraw/zinc/03/89/14/402038914.db2.gz IDALLBWZIZKRDW-CQSZACIVSA-N 1 0 302.399 2.075 50 0 DEAARO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000095972692 402039139 /nfs/dbraw/zinc/03/91/39/402039139.db2.gz NFHOOECITZZHNY-IAGOWNOFSA-N 1 0 315.417 2.167 50 0 DEAARO Cc1cnc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)s1 ZINC000095979906 402041360 /nfs/dbraw/zinc/04/13/60/402041360.db2.gz DUWNJOGGWKNGDS-UHFFFAOYSA-N 1 0 306.391 2.039 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2n1C ZINC000096116454 402060287 /nfs/dbraw/zinc/06/02/87/402060287.db2.gz FVUGDYVCMYSFBP-AWEZNQCLSA-N 1 0 315.417 2.401 50 0 biogenic DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2n1C ZINC000096116453 402060344 /nfs/dbraw/zinc/06/03/44/402060344.db2.gz FVUGDYVCMYSFBP-CQSZACIVSA-N 1 0 315.417 2.401 50 0 biogenic DEAARO CC(C)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(=O)[nH]1 ZINC000121538805 402042644 /nfs/dbraw/zinc/04/26/44/402042644.db2.gz WVOPYZGRXPCKOP-HNNXBMFYSA-N 1 0 305.422 2.323 50 0 DEAARO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)CCn1cccn1)C2 ZINC000095996920 402044867 /nfs/dbraw/zinc/04/48/67/402044867.db2.gz DXRGWUANHMGYTQ-DZGCQCFKSA-N 1 0 301.390 2.264 50 0 DEAARO CCCc1noc(CCCC(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000096003216 402045687 /nfs/dbraw/zinc/04/56/87/402045687.db2.gz FPKKDVZFSPFGOY-UHFFFAOYSA-N 1 0 322.453 2.193 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1C(F)(F)F ZINC000053030840 402050555 /nfs/dbraw/zinc/05/05/55/402050555.db2.gz QCVPPIFSHSPQRG-SNVBAGLBSA-N 1 0 318.343 2.043 50 0 DEAARO Cc1noc(C)c1CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053349359 402054942 /nfs/dbraw/zinc/05/49/42/402054942.db2.gz GNUGKJXRXFCNDL-UHFFFAOYSA-N 1 0 301.390 2.082 50 0 DEAARO CC[C@@H]1CCCCN1Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055167581 402077104 /nfs/dbraw/zinc/07/71/04/402077104.db2.gz DJXAPZCTTIKKCW-OAHLLOKOSA-N 1 0 305.470 2.122 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122431260 402077740 /nfs/dbraw/zinc/07/77/40/402077740.db2.gz KMUFZLLOTBWHMS-VIFPVBQESA-N 1 0 315.186 2.270 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ncoc2C(C)C)C1 ZINC000096411865 402080102 /nfs/dbraw/zinc/08/01/02/402080102.db2.gz MYXPYCZNZKDNBJ-ZDUSSCGKSA-N 1 0 310.394 2.312 50 0 DEAARO COCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000096413160 402080322 /nfs/dbraw/zinc/08/03/22/402080322.db2.gz KBDIYCLCJVBIMI-RDJZCZTQSA-N 1 0 304.434 2.392 50 0 DEAARO C[C@H]1C[C@@H](N(C)CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000096414947 402081168 /nfs/dbraw/zinc/08/11/68/402081168.db2.gz LAUZNIWSDPQBLC-RDJZCZTQSA-N 1 0 324.490 2.016 50 0 DEAARO Cc1ccc(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c(O)c1 ZINC000096415654 402081378 /nfs/dbraw/zinc/08/13/78/402081378.db2.gz JKKQAZCKIUEGAP-UHFFFAOYSA-N 1 0 318.417 2.028 50 0 DEAARO Cn1cc(CCC[NH+]2CCC(OC3CCOCC3)CC2)cn1 ZINC000096417433 402081677 /nfs/dbraw/zinc/08/16/77/402081677.db2.gz YJFOYSSTBOWSIM-UHFFFAOYSA-N 1 0 307.438 2.013 50 0 DEAARO COc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000096431677 402085839 /nfs/dbraw/zinc/08/58/39/402085839.db2.gz ATXSSBKBXZEFBX-UONOGXRCSA-N 1 0 306.406 2.063 50 0 DEAARO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000096439222 402086791 /nfs/dbraw/zinc/08/67/91/402086791.db2.gz IRVXUKZXCCEHAQ-IRXDYDNUSA-N 1 0 324.513 2.234 50 0 DEAARO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000096439223 402086944 /nfs/dbraw/zinc/08/69/44/402086944.db2.gz IRVXUKZXCCEHAQ-SJORKVTESA-N 1 0 324.513 2.234 50 0 DEAARO CS(=O)(=O)CC1(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000096449368 402089792 /nfs/dbraw/zinc/08/97/92/402089792.db2.gz TXWJFIKNWCQJPS-UHFFFAOYSA-N 1 0 304.415 2.149 50 0 DEAARO CC[N@H+](C)[C@@H](C(=O)NCc1cccnc1OC)c1ccccc1 ZINC000057829714 402097752 /nfs/dbraw/zinc/09/77/52/402097752.db2.gz BSLIHPIXCBENEC-MRXNPFEDSA-N 1 0 313.401 2.399 50 0 DEAARO CC(C)C[C@@H]([NH2+][C@@H]1CCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097038901 402101252 /nfs/dbraw/zinc/10/12/52/402101252.db2.gz LQNMUGQTVJCIAT-NXEZZACHSA-N 1 0 308.411 2.037 50 0 DEAARO C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CN1C1CC1 ZINC000097081086 402104500 /nfs/dbraw/zinc/10/45/00/402104500.db2.gz QKSQDTVLHBAYML-OCCSQVGLSA-N 1 0 306.479 2.327 50 0 DEAARO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000097084470 402105369 /nfs/dbraw/zinc/10/53/69/402105369.db2.gz ZXNOPKSLNQIIJK-GXTWGEPZSA-N 1 0 316.492 2.081 50 0 DEAARO CC(C)C[C@@H]([NH2+][C@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097084737 402105476 /nfs/dbraw/zinc/10/54/76/402105476.db2.gz PUWFEZIYYCKXGI-WDEREUQCSA-N 1 0 322.438 2.427 50 0 DEAARO Cn1cc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCCCCC2)n1 ZINC000097156031 402112208 /nfs/dbraw/zinc/11/22/08/402112208.db2.gz QDHHPJYNYTYZRH-UHFFFAOYSA-N 1 0 312.845 2.458 50 0 DEAARO Cc1cc[nH+]c(NC[C@H]2CCN(c3ncnc4c3cnn4C)C2)c1 ZINC000097200982 402116360 /nfs/dbraw/zinc/11/63/60/402116360.db2.gz VJKCNASHBYJOFI-CYBMUJFWSA-N 1 0 323.404 2.005 50 0 DEAARO C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000097234207 402119274 /nfs/dbraw/zinc/11/92/74/402119274.db2.gz YHIZYRFWZCMAJC-JGVFFNPUSA-N 1 0 307.341 2.215 50 0 DEAARO Cc1nc(CSCC[NH+]2CCCC2)n(CC(F)(F)F)n1 ZINC000096136511 402061385 /nfs/dbraw/zinc/06/13/85/402061385.db2.gz NCAXNRFAFXOYDL-UHFFFAOYSA-N 1 0 308.373 2.478 50 0 DEAARO C[NH+](C)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000065408943 402124837 /nfs/dbraw/zinc/12/48/37/402124837.db2.gz GWRXQVPOQIQPOC-UHFFFAOYSA-N 1 0 322.416 2.346 50 0 DEAARO CCC[C@H]([NH2+]C1CCN(C(=O)OCC)CC1)c1nccn1C ZINC000065397888 402124911 /nfs/dbraw/zinc/12/49/11/402124911.db2.gz CIEBWTZIDYUVRS-AWEZNQCLSA-N 1 0 308.426 2.472 50 0 DEAARO O=C1OCC2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)O1 ZINC000097713608 402131228 /nfs/dbraw/zinc/13/12/28/402131228.db2.gz NZCHTYHWLYZJBS-UHFFFAOYSA-N 1 0 303.318 2.171 50 0 DEAARO Cc1cc2cccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)c2o1 ZINC000097766369 402132086 /nfs/dbraw/zinc/13/20/86/402132086.db2.gz ONTQMNLONMHMSA-AWEZNQCLSA-N 1 0 316.401 2.175 50 0 DEAARO C[C@@H](NCc1ncc[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000066593998 402137489 /nfs/dbraw/zinc/13/74/89/402137489.db2.gz NJGJTUSERZZHDE-CYBMUJFWSA-N 1 0 317.412 2.151 50 0 DEAARO CC(C)n1ncc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1C(F)(F)F ZINC000153291829 402137918 /nfs/dbraw/zinc/13/79/18/402137918.db2.gz MBPZWHWXJUZNPD-AOOOYVTPSA-N 1 0 318.343 2.305 50 0 DEAARO Cn1cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)cn1 ZINC000097413184 402124393 /nfs/dbraw/zinc/12/43/93/402124393.db2.gz ARLAWSPKDHOFSL-UHFFFAOYSA-N 1 0 312.417 2.030 50 0 DEAARO C[NH+](C)CC(C)(C)CNCc1ccccc1N1CCOCC1 ZINC000066969723 402148362 /nfs/dbraw/zinc/14/83/62/402148362.db2.gz OFJSSAQQFDEIPN-UHFFFAOYSA-N 1 0 305.466 2.201 50 0 DEAARO C[C@H]1CCCCN1CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066972603 402148436 /nfs/dbraw/zinc/14/84/36/402148436.db2.gz PLJIIYWLPPXIRH-KRWDZBQOSA-N 1 0 317.477 2.487 50 0 DEAARO Cc1nc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC000066992400 402149821 /nfs/dbraw/zinc/14/98/21/402149821.db2.gz VHAUMFFXJHEACR-OAHLLOKOSA-N 1 0 303.431 2.413 50 0 DEAARO C[C@@H](C[NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067955230 402180418 /nfs/dbraw/zinc/18/04/18/402180418.db2.gz QWOLYBQUMLJERD-JTQLQIEISA-N 1 0 321.327 2.363 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000124911644 402203305 /nfs/dbraw/zinc/20/33/05/402203305.db2.gz CHIDLZIHEPBLRZ-LERXQTSPSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000153963674 402183782 /nfs/dbraw/zinc/18/37/82/402183782.db2.gz RZAPYVLOYDYTFV-CHWSQXEVSA-N 1 0 305.397 2.248 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000068493055 402200098 /nfs/dbraw/zinc/20/00/98/402200098.db2.gz CWKFDXKXHHNRFP-HNNXBMFYSA-N 1 0 304.434 2.049 50 0 DEAARO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000067441784 402159892 /nfs/dbraw/zinc/15/98/92/402159892.db2.gz WAYHKDXGRQQZLA-LJQANCHMSA-N 1 0 324.424 2.419 50 0 DEAARO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1C ZINC000067489779 402161028 /nfs/dbraw/zinc/16/10/28/402161028.db2.gz GYLSWSZGSJPKJX-INIZCTEOSA-N 1 0 306.454 2.045 50 0 DEAARO Cc1occc1CN(C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000124083201 402162841 /nfs/dbraw/zinc/16/28/41/402162841.db2.gz SRWPFWVAAGKEIZ-OAHLLOKOSA-N 1 0 314.389 2.403 50 0 DEAARO Cc1ccc(C(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000067604742 402164415 /nfs/dbraw/zinc/16/44/15/402164415.db2.gz WUTVJTAMWXQOMH-UHFFFAOYSA-N 1 0 313.405 2.001 50 0 DEAARO C[N@@H+]1CCCC[C@H]1Cn1ccnc1-c1ccccc1OCCO ZINC000067677415 402167184 /nfs/dbraw/zinc/16/71/84/402167184.db2.gz MOGSNMLIBSSLHN-HNNXBMFYSA-N 1 0 315.417 2.406 50 0 DEAARO CCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000067724282 402169701 /nfs/dbraw/zinc/16/97/01/402169701.db2.gz DDACHXHBJSIENZ-MRXNPFEDSA-N 1 0 300.402 2.301 50 0 DEAARO Cc1cnn([C@@H](C)CNc2cc(C3CC[NH2+]CC3)nc(C)n2)c1 ZINC000067773087 402172329 /nfs/dbraw/zinc/17/23/29/402172329.db2.gz UCJIARNZPVUOEJ-ZDUSSCGKSA-N 1 0 314.437 2.430 50 0 DEAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000067847159 402174788 /nfs/dbraw/zinc/17/47/88/402174788.db2.gz IZDBIBPSNIKDSM-LBPRGKRZSA-N 1 0 314.788 2.320 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000124911865 402203038 /nfs/dbraw/zinc/20/30/38/402203038.db2.gz CHIDLZIHEPBLRZ-HONMWMINSA-N 1 0 323.234 2.373 50 0 DEAARO COC(=O)c1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)n1 ZINC000067878881 402177214 /nfs/dbraw/zinc/17/72/14/402177214.db2.gz SAAZBBIRXMQJFP-KBXCAEBGSA-N 1 0 320.433 2.487 50 0 DEAARO CC(C)C[N@@H+]1CCN(c2nccc3occc32)C[C@H]1CCO ZINC000106945469 402223939 /nfs/dbraw/zinc/22/39/39/402223939.db2.gz CZDRURXXXZXHTE-CQSZACIVSA-N 1 0 303.406 2.357 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000069510942 402227307 /nfs/dbraw/zinc/22/73/07/402227307.db2.gz 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402246800 /nfs/dbraw/zinc/24/68/00/402246800.db2.gz MTAFXVNCCCSCND-HNNXBMFYSA-N 1 0 306.312 2.160 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 ZINC000069921998 402251158 /nfs/dbraw/zinc/25/11/58/402251158.db2.gz CYDHVWAGQUJOQN-IRXDYDNUSA-N 1 0 300.402 2.416 50 0 DEAARO Cc1ccc(-c2cc(CN3CCO[C@@H](C[NH+](C)C)C3)on2)cc1 ZINC000069951067 402252416 /nfs/dbraw/zinc/25/24/16/402252416.db2.gz HGCXDNCYEBKUPX-KRWDZBQOSA-N 1 0 315.417 2.412 50 0 DEAARO C([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)[C@H]1CCCCO1 ZINC000069948616 402252624 /nfs/dbraw/zinc/25/26/24/402252624.db2.gz YSVQPDOYNCVNLN-LSDHHAIUSA-N 1 0 320.437 2.070 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173713 402258495 /nfs/dbraw/zinc/25/84/95/402258495.db2.gz FEUFKWJYMJFMGK-NEPJUHHUSA-N 1 0 316.854 2.396 50 0 DEAARO O=C(c1cccnc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684032 402321427 /nfs/dbraw/zinc/32/14/27/402321427.db2.gz PPNOEBLOEMAURZ-SFHVURJKSA-N 1 0 307.397 2.354 50 0 DEAARO CCN(CCCCO)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000215053363 402281298 /nfs/dbraw/zinc/28/12/98/402281298.db2.gz FGQUPJQTCISFIN-QGZVFWFLSA-N 1 0 304.434 2.388 50 0 DEAARO Nc1ncccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000215802159 402284997 /nfs/dbraw/zinc/28/49/97/402284997.db2.gz ZLEGNNIWDCBHTN-AWEZNQCLSA-N 1 0 308.389 2.086 50 0 DEAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCc2c1cccc2F ZINC000071837168 402286412 /nfs/dbraw/zinc/28/64/12/402286412.db2.gz FEBHPWBYMZUZPY-KRWDZBQOSA-N 1 0 303.381 2.408 50 0 DEAARO O=C(Cn1ccnc1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000216121524 402286683 /nfs/dbraw/zinc/28/66/83/402286683.db2.gz PXKOYAHZTDIYRC-KRWDZBQOSA-N 1 0 312.417 2.227 50 0 DEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cnc(N3CCCC3)s1)C2 ZINC000216261064 402287307 /nfs/dbraw/zinc/28/73/07/402287307.db2.gz GVYXGGNPSGTFIP-UONOGXRCSA-N 1 0 306.479 2.412 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1 ZINC000071846753 402287736 /nfs/dbraw/zinc/28/77/36/402287736.db2.gz 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/nfs/dbraw/zinc/30/25/69/402302569.db2.gz NYCRYIYOTYQMCI-MRXNPFEDSA-N 1 0 319.449 2.294 50 0 DEAARO O=C(Cc1ccncc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000221385459 402303888 /nfs/dbraw/zinc/30/38/88/402303888.db2.gz BCJLFNJDFXYXNM-UHFFFAOYSA-N 1 0 301.434 2.491 50 0 DEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccsc1 ZINC000225561680 402321001 /nfs/dbraw/zinc/32/10/01/402321001.db2.gz KTPOOKXRHSQRFP-UHFFFAOYSA-N 1 0 308.447 2.369 50 0 DEAARO O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229245887 402341318 /nfs/dbraw/zinc/34/13/18/402341318.db2.gz PBSDXEBTTZJRJE-SJORKVTESA-N 1 0 322.424 2.126 50 0 DEAARO Cc1csc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000229448402 402343525 /nfs/dbraw/zinc/34/35/25/402343525.db2.gz AMAUMBSECWCTMP-YPMHNXCESA-N 1 0 310.467 2.371 50 0 DEAARO Cn1cc([C@H]([NH2+]CCC2OCCO2)c2ccc(F)cc2)cn1 ZINC000185415736 402351258 /nfs/dbraw/zinc/35/12/58/402351258.db2.gz QAOMKGSINBXQQG-MRXNPFEDSA-N 1 0 305.353 2.001 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]CC1(O)CCOCC1 ZINC000236602994 402367589 /nfs/dbraw/zinc/36/75/89/402367589.db2.gz MAHUIAQBRQMQCX-UHFFFAOYSA-N 1 0 315.845 2.132 50 0 DEAARO COc1ccc2c(c1)OCC(C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])=C2 ZINC000237526456 402411169 /nfs/dbraw/zinc/41/11/69/402411169.db2.gz FNLSJISBVBAFDT-LRDDRELGSA-N 1 0 316.401 2.199 50 0 DEAARO CC[C@@H](C(=O)Nc1nccs1)N(C)Cc1[nH]nc2c1CCC2 ZINC000244874891 402450731 /nfs/dbraw/zinc/45/07/31/402450731.db2.gz XJAUBXRFDOZHAE-ZDUSSCGKSA-N 1 0 319.434 2.204 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000237977267 402429295 /nfs/dbraw/zinc/42/92/95/402429295.db2.gz CNSNBEJQUCZEFX-AWEZNQCLSA-N 1 0 312.373 2.177 50 0 DEAARO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000241301115 402443358 /nfs/dbraw/zinc/44/33/58/402443358.db2.gz LQJZUXXFNVCHRR-ZIAGYGMSSA-N 1 0 311.813 2.031 50 0 DEAARO CCc1n[nH]c2c1C[N@H+](CCC(=O)NCc1cccs1)CC2 ZINC000243892388 402445997 /nfs/dbraw/zinc/44/59/97/402445997.db2.gz AHORMDGVLOAUEH-UHFFFAOYSA-N 1 0 318.446 2.098 50 0 DEAARO Cc1ccsc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000243892549 402446435 /nfs/dbraw/zinc/44/64/35/402446435.db2.gz AIQGRMCEOHBMRI-PHIMTYICSA-N 1 0 303.435 2.270 50 0 DEAARO Cc1nnc([C@H]2CCC[N@H+](CCn3cnc4ccccc43)C2)[nH]1 ZINC000243914713 402446858 /nfs/dbraw/zinc/44/68/58/402446858.db2.gz BJWGAQGXSCKLSN-AWEZNQCLSA-N 1 0 310.405 2.342 50 0 DEAARO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1O ZINC000244723514 402448816 /nfs/dbraw/zinc/44/88/16/402448816.db2.gz MDALNMAGNNDHLX-INIZCTEOSA-N 1 0 318.417 2.074 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 ZINC000178564522 402512686 /nfs/dbraw/zinc/51/26/86/402512686.db2.gz NFSNUMLTSUKTNL-ZDUSSCGKSA-N 1 0 322.836 2.195 50 0 DEAARO C[C@H]([NH2+][C@]1(CO)CCOC1)c1cc(Br)ccc1F ZINC000170077944 402502966 /nfs/dbraw/zinc/50/29/66/402502966.db2.gz RIDYRTVIKXEJPZ-ZANVPECISA-N 1 0 318.186 2.390 50 0 DEAARO Cc1cccc(NC(=O)CN(C)CCOCC(F)F)c1C ZINC000170605172 402507005 /nfs/dbraw/zinc/50/70/05/402507005.db2.gz DAOBZDGKGPYXLY-UHFFFAOYSA-N 1 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LLPUMBGGFDYZNB-UHFFFAOYSA-N 1 0 319.449 2.129 50 0 DEAARO CCC[C@H](NC(=O)CN1CC[NH+](CC)CC1)c1cccs1 ZINC000952968446 792849388 /nfs/dbraw/zinc/84/93/88/792849388.db2.gz CBTLUWAUCXBVEE-AWEZNQCLSA-N 1 0 309.479 2.343 50 0 DEAARO CC(C)Nc1ncc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000952968936 792849803 /nfs/dbraw/zinc/84/98/03/792849803.db2.gz GIWLQHGHWWAAHM-UHFFFAOYSA-N 1 0 312.377 2.169 50 0 DEAARO [NH3+]C1(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)CCCC1 ZINC000952986989 792868601 /nfs/dbraw/zinc/86/86/01/792868601.db2.gz DDAGFHNEVGKWQB-ZDUSSCGKSA-N 1 0 304.390 2.454 50 0 DEAARO O=S(=O)(CCc1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828388817 799512848 /nfs/dbraw/zinc/51/28/48/799512848.db2.gz LYISFHIJXHGWQJ-UHFFFAOYSA-N 1 0 322.474 2.119 50 0 DEAARO Cc1cc(NC(=O)C2([NH3+])CCCC2)ccc1N1CCCC1=O ZINC000315516982 802472660 /nfs/dbraw/zinc/47/26/60/802472660.db2.gz YGVRDLKHMJLVCP-UHFFFAOYSA-N 1 0 301.390 2.332 50 0 DEAARO COCC[N@@H+]1CC[C@H](CN(C)c2ncc(Cl)cc2F)C1 ZINC001529112922 1070862409 /nfs/dbraw/zinc/86/24/09/1070862409.db2.gz AMWIQMWNYMSOSI-LLVKDONJSA-N 1 0 301.793 2.279 50 0 DEAARO COc1cccc(F)c1C(=O)Nc1nnc(CC[NH+](C)C)s1 ZINC001529178101 1070901925 /nfs/dbraw/zinc/90/19/25/1070901925.db2.gz IGBZESNMISNHNB-UHFFFAOYSA-N 1 0 324.381 2.042 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CN(C)c2nnc(C)c3ccccc32)C1 ZINC001506417314 1061959499 /nfs/dbraw/zinc/95/94/99/1061959499.db2.gz PLNUQPXOQHZRBO-HNNXBMFYSA-N 1 0 314.433 2.343 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H]([NH3+])c2ccccc2)C1 ZINC000958527766 1089046943 /nfs/dbraw/zinc/04/69/43/1089046943.db2.gz HTDVCBYFLZUYOG-PBHICJAKSA-N 1 0 306.406 2.448 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H]([NH3+])c2ccccc2)C1 ZINC000958527769 1089047183 /nfs/dbraw/zinc/04/71/83/1089047183.db2.gz HTDVCBYFLZUYOG-YOEHRIQHSA-N 1 0 306.406 2.448 50 0 DEAARO Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)c3cccs3)CC2)[nH]1 ZINC000822275536 1090628320 /nfs/dbraw/zinc/62/83/20/1090628320.db2.gz DUOOTPAYGZIHIG-JTQLQIEISA-N 1 0 319.434 2.130 50 0 DEAARO CCN1C[C@@H](C[N@H+](C)CC(=O)NC2CCCCCCC2)CC1=O ZINC000823102328 1090663498 /nfs/dbraw/zinc/66/34/98/1090663498.db2.gz AZKCMYUHBLWVIY-OAHLLOKOSA-N 1 0 323.481 2.016 50 0 DEAARO C[C@H](c1cccc(CN(C)C2CCS(=O)(=O)CC2)c1)[NH+](C)C ZINC000823648983 1090690311 /nfs/dbraw/zinc/69/03/11/1090690311.db2.gz LPTTVKROWQQMIZ-CQSZACIVSA-N 1 0 324.490 2.318 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@H](O)c2cccc(F)c2)CC1 ZINC000095510336 185376079 /nfs/dbraw/zinc/37/60/79/185376079.db2.gz UGIZWTHODXTUTG-INIZCTEOSA-N 1 0 308.397 2.097 50 0 DEAARO C[NH+](C)CCOC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000215580955 282106816 /nfs/dbraw/zinc/10/68/16/282106816.db2.gz BFCXARTUVFIYLW-UHFFFAOYSA-N 1 0 302.422 2.106 50 0 DEAARO C[NH+](C)CC[C@H]1CCCCN1S(=O)(=O)c1ccsc1 ZINC000077354794 282114872 /nfs/dbraw/zinc/11/48/72/282114872.db2.gz YYGLRIVSLQYNIH-GFCCVEGCSA-N 1 0 302.465 2.243 50 0 DEAARO Cc1[nH]ccc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081935144 192342152 /nfs/dbraw/zinc/34/21/52/192342152.db2.gz XUHXEECPWOWMRN-UHFFFAOYSA-N 1 0 319.449 2.336 50 0 DEAARO CC(C)n1ncc2cc(C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)cnc21 ZINC000078895067 185123909 /nfs/dbraw/zinc/12/39/09/185123909.db2.gz JNTOHUZGFXLOTC-WFASDCNBSA-N 1 0 315.421 2.034 50 0 DEAARO C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078942303 185132486 /nfs/dbraw/zinc/13/24/86/185132486.db2.gz RGGAPHFJXPOZPK-UONOGXRCSA-N 1 0 311.470 2.100 50 0 DEAARO CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)nnn2C)C(C)C ZINC000078966891 185136389 /nfs/dbraw/zinc/13/63/89/185136389.db2.gz YYNJLQLMOUDROS-UHFFFAOYSA-N 1 0 317.437 2.207 50 0 DEAARO C[C@@H]1C[C@@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)O1 ZINC000079030220 185147576 /nfs/dbraw/zinc/14/75/76/185147576.db2.gz WQIAJSZZQNOLAM-CZUORRHYSA-N 1 0 320.458 2.394 50 0 DEAARO Cc1ncc(C(=O)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000079331056 185165376 /nfs/dbraw/zinc/16/53/76/185165376.db2.gz VBCWWPAIUHJMRF-UHFFFAOYSA-N 1 0 319.430 2.322 50 0 DEAARO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000083092890 185212970 /nfs/dbraw/zinc/21/29/70/185212970.db2.gz GKWJNMFINIBROS-CYBMUJFWSA-N 1 0 312.483 2.439 50 0 DEAARO CC(C)[N@H+](C)CC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000088361302 185246893 /nfs/dbraw/zinc/24/68/93/185246893.db2.gz CYPHDCXINRVOOK-UHFFFAOYSA-N 1 0 313.401 2.175 50 0 DEAARO C[C@H](COc1ccc(F)c(F)c1)[NH2+]C[C@H](O)C1CCOCC1 ZINC000090053814 185279710 /nfs/dbraw/zinc/27/97/10/185279710.db2.gz MACRLGPDAAPLCW-BZNIZROVSA-N 1 0 315.360 2.109 50 0 DEAARO Cc1ccc2[nH]c(CCC(=O)N3CCCC[C@@H]([NH3+])C3)nc2c1C ZINC000082138626 192360497 /nfs/dbraw/zinc/36/04/97/192360497.db2.gz OLMLKWJADZPVIU-CQSZACIVSA-N 1 0 314.433 2.452 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2cc(C)ccc2C)o1 ZINC000095404852 185355435 /nfs/dbraw/zinc/35/54/35/185355435.db2.gz IZGPKYJWJWOJPY-INIZCTEOSA-N 1 0 316.401 2.421 50 0 DEAARO CN(C[C@@H](O)C1CC1)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095411280 185357478 /nfs/dbraw/zinc/35/74/78/185357478.db2.gz QEEGTXKOYZJNTH-NVXWUHKLSA-N 1 0 323.481 2.196 50 0 DEAARO O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CC[NH2+]CC1 ZINC000082139959 192362174 /nfs/dbraw/zinc/36/21/74/192362174.db2.gz FDFZABKGFGSOIQ-UHFFFAOYSA-N 1 0 306.369 2.047 50 0 DEAARO CC1(C)C[C@@H]([NH2+][C@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 ZINC000095423853 185361301 /nfs/dbraw/zinc/36/13/01/185361301.db2.gz KXTBXTRRVFOWIW-LSDHHAIUSA-N 1 0 317.433 2.232 50 0 DEAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000095424935 185361522 /nfs/dbraw/zinc/36/15/22/185361522.db2.gz WQEPLKYUEWGIGE-HUUCEWRRSA-N 1 0 309.454 2.214 50 0 DEAARO C[N@H+](CC(=O)NC[C@@H]1CCOc2ccccc21)[C@@H]1CCSC1 ZINC000095449548 185368680 /nfs/dbraw/zinc/36/86/80/185368680.db2.gz YTCKKLZVFPMMKY-UONOGXRCSA-N 1 0 320.458 2.106 50 0 DEAARO c1ccc2c(c1)C=C(C[NH2+][C@H]1CCO[C@@]3(CCOC3)C1)CO2 ZINC000095457754 185370307 /nfs/dbraw/zinc/37/03/07/185370307.db2.gz FBOHUFGLSNFYDY-WMZOPIPTSA-N 1 0 301.386 2.390 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000097019935 185398347 /nfs/dbraw/zinc/39/83/47/185398347.db2.gz LSCDMPGQGDDUGD-WPRPVWTQSA-N 1 0 305.241 2.059 50 0 DEAARO CC(C)[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)[NH+](C)C ZINC000023195897 190648502 /nfs/dbraw/zinc/64/85/02/190648502.db2.gz AGYIEQXKTZNEJK-HNNXBMFYSA-N 1 0 302.422 2.198 50 0 DEAARO c1cc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)ccn1 ZINC000083476688 539389691 /nfs/dbraw/zinc/38/96/91/539389691.db2.gz NNZOSSDPZMTWLM-UHFFFAOYSA-N 1 0 303.450 2.454 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000178977658 529991546 /nfs/dbraw/zinc/99/15/46/529991546.db2.gz CLKOWELGJOSSPF-NSHDSACASA-N 1 0 316.323 2.152 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccn2CCc2ccccc2)C1 ZINC000299738902 529992832 /nfs/dbraw/zinc/99/28/32/529992832.db2.gz IFXAKYCMGVAUOM-KRWDZBQOSA-N 1 0 311.429 2.412 50 0 DEAARO Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000071859958 282383106 /nfs/dbraw/zinc/38/31/06/282383106.db2.gz LZBXHEDKFULWAX-AWEZNQCLSA-N 1 0 301.394 2.182 50 0 DEAARO [NH3+]CCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000170046633 539614332 /nfs/dbraw/zinc/61/43/32/539614332.db2.gz QNWCEPHYLJQMDD-UHFFFAOYSA-N 1 0 316.332 2.436 50 0 DEAARO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000221947213 539728394 /nfs/dbraw/zinc/72/83/94/539728394.db2.gz SMZPHJMOQPFCLU-CVEARBPZSA-N 1 0 315.417 2.337 50 0 DEAARO CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000071662532 191000667 /nfs/dbraw/zinc/00/06/67/191000667.db2.gz DIIXQGGPJIUTOQ-ZDUSSCGKSA-N 1 0 319.430 2.183 50 0 DEAARO C[NH+](C)C1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000071846632 191030935 /nfs/dbraw/zinc/03/09/35/191030935.db2.gz CVVLLVJNEWVHMR-UHFFFAOYSA-N 1 0 316.380 2.178 50 0 DEAARO Cc1cc(NC(=O)[C@H]2CCC[N@@H+](C)C2)ccc1N1CCCC1=O ZINC000072117628 191039472 /nfs/dbraw/zinc/03/94/72/191039472.db2.gz KLGJSSRMYXYIAC-AWEZNQCLSA-N 1 0 315.417 2.402 50 0 DEAARO CC(C)c1nc2c(cnn2C)c(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC000072148665 191054673 /nfs/dbraw/zinc/05/46/73/191054673.db2.gz IWSJAWKAXPCDMN-GFCCVEGCSA-N 1 0 302.426 2.383 50 0 DEAARO c1ccc(Cc2noc(-c3ccc(N[C@@H]4CC[NH2+]C4)nc3)n2)cc1 ZINC000072168784 191068688 /nfs/dbraw/zinc/06/86/88/191068688.db2.gz YYNJSUGXJRWHIZ-OAHLLOKOSA-N 1 0 321.384 2.496 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(C[NH3+])CC1 ZINC000237491390 186296935 /nfs/dbraw/zinc/29/69/35/186296935.db2.gz NCOJSRPUPPMYHJ-SNVBAGLBSA-N 1 0 314.788 2.444 50 0 DEAARO CNc1nc(C)cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)n1 ZINC000253404155 186307329 /nfs/dbraw/zinc/30/73/29/186307329.db2.gz GFMXUCYNFAZHKV-UHFFFAOYSA-N 1 0 319.453 2.019 50 0 DEAARO CCc1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)n2nccc2n1 ZINC000072425979 191159508 /nfs/dbraw/zinc/15/95/08/191159508.db2.gz PGPPTRJLLWJMSL-MRXNPFEDSA-N 1 0 307.401 2.443 50 0 DEAARO Cc1ccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c(C)n1 ZINC000072440652 191167035 /nfs/dbraw/zinc/16/70/35/191167035.db2.gz YRXSPCHPZGDFBB-UHFFFAOYSA-N 1 0 308.389 2.241 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2c(Cl)cncc2Cl)C1 ZINC000072479964 191181667 /nfs/dbraw/zinc/18/16/67/191181667.db2.gz ZRAWOLOUKIZGAL-AWEZNQCLSA-N 1 0 318.248 2.277 50 0 DEAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072457456 191172658 /nfs/dbraw/zinc/17/26/58/191172658.db2.gz LCIIJYNFPMEEBN-WCQYABFASA-N 1 0 318.396 2.220 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)n1 ZINC000299753965 539859877 /nfs/dbraw/zinc/85/98/77/539859877.db2.gz BGJJKHUNBJXYKA-OUCADQQQSA-N 1 0 319.409 2.355 50 0 DEAARO CCOC(=O)c1c(C)n(C[C@H](O)C[NH2+]C(C)C)c2ccccc21 ZINC000016675670 354039483 /nfs/dbraw/zinc/03/94/83/354039483.db2.gz USTLSJVZNLSBIT-CQSZACIVSA-N 1 0 318.417 2.485 50 0 DEAARO Cn1nnnc1SCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004488538 181114589 /nfs/dbraw/zinc/11/45/89/181114589.db2.gz FUMSYMBOHPPOAK-UHFFFAOYSA-N 1 0 318.233 2.399 50 0 DEAARO COc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)c(OC)c1 ZINC000004725473 181143308 /nfs/dbraw/zinc/14/33/08/181143308.db2.gz JLHBVPCOUJRNFS-UHFFFAOYSA-N 1 0 320.433 2.440 50 0 DEAARO O=C(N[C@H]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066193184 354704527 /nfs/dbraw/zinc/70/45/27/354704527.db2.gz XCCUYLVMAPLPBX-ROUUACIJSA-N 1 0 313.445 2.424 50 0 DEAARO CCn1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000065285828 354681892 /nfs/dbraw/zinc/68/18/92/354681892.db2.gz LRIVZHFRJAGOMO-UHFFFAOYSA-N 1 0 311.429 2.186 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000072234494 354899184 /nfs/dbraw/zinc/89/91/84/354899184.db2.gz GGFMNPNLCVUUKA-GJZGRUSLSA-N 1 0 314.389 2.369 50 0 DEAARO O=C1NCCN1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000072287551 354899721 /nfs/dbraw/zinc/89/97/21/354899721.db2.gz FPHIDFLQDLLVMM-AWEZNQCLSA-N 1 0 305.447 2.268 50 0 DEAARO COc1cc(C[NH2+]C(C)C)c(Br)cc1OCCO ZINC000004851358 181163262 /nfs/dbraw/zinc/16/32/62/181163262.db2.gz AYFZSSOVOAJZGP-UHFFFAOYSA-N 1 0 318.211 2.327 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1cccc(F)c1 ZINC000076057037 355122411 /nfs/dbraw/zinc/12/24/11/355122411.db2.gz MHCRWNOFJBASTJ-XUJVJEKNSA-N 1 0 314.426 2.146 50 0 DEAARO Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[N@H+](C)C1CC1 ZINC000075604416 355096097 /nfs/dbraw/zinc/09/60/97/355096097.db2.gz RRFPLYJVBNHLAW-GFCCVEGCSA-N 1 0 310.829 2.140 50 0 DEAARO c1nnc2n1C[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000075605504 355096221 /nfs/dbraw/zinc/09/62/21/355096221.db2.gz FELWLVBOFDOQRD-OAHLLOKOSA-N 1 0 312.417 2.419 50 0 DEAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CCOCC1 ZINC000074878960 191377355 /nfs/dbraw/zinc/37/73/55/191377355.db2.gz REEDHUADXSGQCM-MRXNPFEDSA-N 1 0 311.470 2.461 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cnc3cc(C)ccn23)[C@@H](C)C1 ZINC000078897611 355284296 /nfs/dbraw/zinc/28/42/96/355284296.db2.gz UZCZOMGKMSSBOO-HOCLYGCPSA-N 1 0 314.433 2.379 50 0 DEAARO CCO[C@H](C)c1nc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cs1 ZINC000078896342 355284417 /nfs/dbraw/zinc/28/44/17/355284417.db2.gz PBESCJYWNLSOID-DMDPSCGWSA-N 1 0 311.451 2.263 50 0 DEAARO CCOC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c[nH]1 ZINC000078954421 355287325 /nfs/dbraw/zinc/28/73/25/355287325.db2.gz HMFMZLHAWKYBMP-LBPRGKRZSA-N 1 0 322.409 2.187 50 0 DEAARO CSc1ccc(OCC[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000075638783 191505043 /nfs/dbraw/zinc/50/50/43/191505043.db2.gz XNTSOCZZERVBQT-UHFFFAOYSA-N 1 0 308.447 2.375 50 0 DEAARO CCc1nc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)no1 ZINC000077287407 191686795 /nfs/dbraw/zinc/68/67/95/191686795.db2.gz QIUDALMMWNSGCM-MRXNPFEDSA-N 1 0 312.417 2.312 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000092929681 355657597 /nfs/dbraw/zinc/65/75/97/355657597.db2.gz QYHWILUPDAMZAA-CHWSQXEVSA-N 1 0 317.437 2.475 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn[nH]2)[C@H]1c1cccs1 ZINC000110619608 355743583 /nfs/dbraw/zinc/74/35/83/355743583.db2.gz USPNYDKQFHOGAP-FZMZJTMJSA-N 1 0 304.419 2.284 50 0 DEAARO Cc1cnc(C(=O)N2CCCCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000169791631 355984965 /nfs/dbraw/zinc/98/49/65/355984965.db2.gz JLEXBTKAVYQBAD-OAHLLOKOSA-N 1 0 302.422 2.266 50 0 DEAARO Cc1nnc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000170088251 355986004 /nfs/dbraw/zinc/98/60/04/355986004.db2.gz CHCXEZMBUBITAK-HEHGZKQESA-N 1 0 315.421 2.334 50 0 DEAARO CC(C)c1nc(NCc2ccccc2CO)nc(N(C)C)n1 ZINC000158158736 355958621 /nfs/dbraw/zinc/95/86/21/355958621.db2.gz DQCAHBGMXULBIK-UHFFFAOYSA-N 1 0 301.394 2.165 50 0 DEAARO COCCN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cn1 ZINC000191379466 356218529 /nfs/dbraw/zinc/21/85/29/356218529.db2.gz CIUOTKMFCOEOGG-IAGOWNOFSA-N 1 0 319.449 2.165 50 0 DEAARO C[N@H+](CC1CCOCC1)C1CCN(CCc2ccccn2)CC1 ZINC000080969098 192207658 /nfs/dbraw/zinc/20/76/58/192207658.db2.gz LIMQKWMWJAMWQT-UHFFFAOYSA-N 1 0 317.477 2.447 50 0 DEAARO CC(=O)N(C)CCc1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000350591250 356547341 /nfs/dbraw/zinc/54/73/41/356547341.db2.gz WHNGVVVLJAVUAZ-CQSZACIVSA-N 1 0 306.410 2.170 50 0 DEAARO C[NH2+]C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000237091012 202151038 /nfs/dbraw/zinc/15/10/38/202151038.db2.gz OOHOXWBAGVZGMH-UHFFFAOYSA-N 1 0 315.186 2.412 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000237208909 202190887 /nfs/dbraw/zinc/19/08/87/202190887.db2.gz CURACQPNEGZDPO-PSKZRQQASA-N 1 0 304.390 2.057 50 0 DEAARO CN(CC[N@H+](C)C1CCCC1)C(=O)Cc1ccc(CO)cc1 ZINC000584890328 357326863 /nfs/dbraw/zinc/32/68/63/357326863.db2.gz QKCXLQCLHBSOOV-UHFFFAOYSA-N 1 0 304.434 2.054 50 0 DEAARO CCC[N@@H+]1CC[C@@H](Cn2cnc3c(OC)cccc3c2=O)C1 ZINC000584894425 357329238 /nfs/dbraw/zinc/32/92/38/357329238.db2.gz WQBUHCIBGSKBKF-CYBMUJFWSA-N 1 0 301.390 2.137 50 0 DEAARO C[NH+]1CCC(CNC(=O)C[C@H]2CCOC2)(c2ccccc2)CC1 ZINC000584896553 357329524 /nfs/dbraw/zinc/32/95/24/357329524.db2.gz DZWHWTMBSFSRBG-MRXNPFEDSA-N 1 0 316.445 2.193 50 0 DEAARO O=c1c2ccncc2ncn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584899416 357330382 /nfs/dbraw/zinc/33/03/82/357330382.db2.gz AJKFKUOGKBPZJM-HNNXBMFYSA-N 1 0 306.369 2.239 50 0 DEAARO Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000449347422 283274761 /nfs/dbraw/zinc/27/47/61/283274761.db2.gz GYFXMYVWFRYHIK-INIZCTEOSA-N 1 0 324.384 2.377 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OCCC(C)C)cc2)C1 ZINC000187840957 200164866 /nfs/dbraw/zinc/16/48/66/200164866.db2.gz SAHIVLKEMHJTTL-JKSUJKDBSA-N 1 0 306.406 2.427 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1occc1Br ZINC000237556121 202282716 /nfs/dbraw/zinc/28/27/16/202282716.db2.gz RVGCGYNQUKFLJX-WCBMZHEXSA-N 1 0 301.184 2.384 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000188414125 200242595 /nfs/dbraw/zinc/24/25/95/200242595.db2.gz KUWHQDIFVNWIQD-HONMWMINSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@H]1CN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC[NH2+]1 ZINC000237748096 202346249 /nfs/dbraw/zinc/34/62/49/202346249.db2.gz WQPGKZMUBFZXFS-NSHDSACASA-N 1 0 319.792 2.358 50 0 DEAARO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000237841789 202366988 /nfs/dbraw/zinc/36/69/88/202366988.db2.gz MAGHUEVQSKSUDX-HOCLYGCPSA-N 1 0 312.417 2.396 50 0 DEAARO Cc1ccc(N2CCCC2)c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000237871626 202376266 /nfs/dbraw/zinc/37/62/66/202376266.db2.gz 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/nfs/dbraw/zinc/09/85/66/193098566.db2.gz LCJGYMNMLDIUMZ-KRWDZBQOSA-N 1 0 322.836 2.147 50 0 DEAARO CC(C)(C[NH+]1CCC(CCn2cccn2)CC1)N1CCOCC1 ZINC000215694897 201466607 /nfs/dbraw/zinc/46/66/07/201466607.db2.gz MWDASICPIJXCQJ-UHFFFAOYSA-N 1 0 320.481 2.096 50 0 DEAARO Cc1c2ccccc2oc1CN1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000092077182 193154177 /nfs/dbraw/zinc/15/41/77/193154177.db2.gz LHYHWPQFJAPJCF-KSSFIOAISA-N 1 0 300.402 2.288 50 0 DEAARO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000093870174 193321162 /nfs/dbraw/zinc/32/11/62/193321162.db2.gz CWQKNVXKEGAMMH-MRXNPFEDSA-N 1 0 312.417 2.443 50 0 DEAARO CC(C)Cn1ccnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1=O ZINC000094163628 193347326 /nfs/dbraw/zinc/34/73/26/193347326.db2.gz JLYKZZQXDSAJGQ-INIZCTEOSA-N 1 0 318.465 2.354 50 0 DEAARO C[NH+](C)CC1CCC(NC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000095995127 193483638 /nfs/dbraw/zinc/48/36/38/193483638.db2.gz IDXDQSAEUIBFSF-BDVYOWHSSA-N 1 0 319.449 2.140 50 0 DEAARO CN(C)c1nccnc1N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000096151831 193553900 /nfs/dbraw/zinc/55/39/00/193553900.db2.gz OQOSJPFAZFPJAK-OAHLLOKOSA-N 1 0 303.454 2.245 50 0 DEAARO C[NH+](C)CCC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000096487331 193667656 /nfs/dbraw/zinc/66/76/56/193667656.db2.gz UURFPTDAIPSURG-NSHDSACASA-N 1 0 313.804 2.126 50 0 DEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000010003149 181652442 /nfs/dbraw/zinc/65/24/42/181652442.db2.gz MEZPUIUOMRHJMV-UHFFFAOYSA-N 1 0 318.396 2.028 50 0 DEAARO CCn1ccnc1C1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000097463625 193722348 /nfs/dbraw/zinc/72/23/48/193722348.db2.gz UQHXKRMRHUCQKN-INIZCTEOSA-N 1 0 318.465 2.339 50 0 DEAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)c2ccccc12 ZINC000018005012 182088784 /nfs/dbraw/zinc/08/87/84/182088784.db2.gz HUGMICPTCAOHMP-UHFFFAOYSA-N 1 0 322.430 2.078 50 0 DEAARO O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1CCC[NH+]1CCCCC1 ZINC000019851210 182157230 /nfs/dbraw/zinc/15/72/30/182157230.db2.gz MCJUKPTXPPKVLZ-UONOGXRCSA-N 1 0 310.825 2.380 50 0 DEAARO CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000019872058 182159197 /nfs/dbraw/zinc/15/91/97/182159197.db2.gz MYASWCGVHYNIQU-AWEZNQCLSA-N 1 0 308.422 2.286 50 0 DEAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000020386146 182213787 /nfs/dbraw/zinc/21/37/87/182213787.db2.gz SOCMLQSMPFUXCL-DZGCQCFKSA-N 1 0 316.401 2.043 50 0 DEAARO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000021513289 182276608 /nfs/dbraw/zinc/27/66/08/182276608.db2.gz RONWQBIERFELQV-CQSZACIVSA-N 1 0 310.463 2.227 50 0 DEAARO CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000022915771 182340647 /nfs/dbraw/zinc/34/06/47/182340647.db2.gz XKBNKJPGGGNQOJ-CQSZACIVSA-N 1 0 307.413 2.489 50 0 DEAARO CCn1cc(CN2CC[N@H+](C)[C@@H](CCO)C2)c2ccccc21 ZINC000022914577 182341421 /nfs/dbraw/zinc/34/14/21/182341421.db2.gz PFYVONRGUIIHOU-INIZCTEOSA-N 1 0 301.434 2.160 50 0 DEAARO COCc1ccc(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)o1 ZINC000023373628 182358490 /nfs/dbraw/zinc/35/84/90/182358490.db2.gz KMURZTCOSYZEGK-INIZCTEOSA-N 1 0 322.449 2.261 50 0 DEAARO CCOc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cc1 ZINC000039394101 183018530 /nfs/dbraw/zinc/01/85/30/183018530.db2.gz ODQGKXZCZGZALA-QGZVFWFLSA-N 1 0 306.450 2.362 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@@H](C)CN1CCCC1=O)O[C@H](C)C2 ZINC000040153273 183039843 /nfs/dbraw/zinc/03/98/43/183039843.db2.gz HPWKUKCTWYLOFW-QWHCGFSZSA-N 1 0 318.417 2.119 50 0 DEAARO Cc1cnc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000040459686 183070204 /nfs/dbraw/zinc/07/02/04/183070204.db2.gz FUTVGORCQIFWPX-UHFFFAOYSA-N 1 0 310.401 2.179 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(Br)cc1 ZINC000493273384 249267418 /nfs/dbraw/zinc/26/74/18/249267418.db2.gz XRFBHYLZLBWDKR-UJZCVKTISA-N 1 0 309.207 2.412 50 0 DEAARO CCOc1ccc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)cc1OCC ZINC000493511617 249310223 /nfs/dbraw/zinc/31/02/23/249310223.db2.gz FCKYAZCNRWSFKO-IQCBXXCUSA-N 1 0 304.390 2.057 50 0 DEAARO O=C(CCn1cccn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000042476454 183274519 /nfs/dbraw/zinc/27/45/19/183274519.db2.gz OHJXBCWQNQMSTF-OAHLLOKOSA-N 1 0 316.405 2.210 50 0 DEAARO Cc1cc(CN2CC[N@@H+](C)[C@H](CCO)C2)c2cccc(C)c2n1 ZINC000043144584 183340436 /nfs/dbraw/zinc/34/04/36/183340436.db2.gz ZGCKCDVSNOITSA-QGZVFWFLSA-N 1 0 313.445 2.350 50 0 DEAARO COc1ccccc1/C=C/C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000106379452 194204202 /nfs/dbraw/zinc/20/42/02/194204202.db2.gz RPYMJBFQYLVETI-UKINESCASA-N 1 0 302.418 2.161 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000106516571 194222029 /nfs/dbraw/zinc/22/20/29/194222029.db2.gz IKWUGCLBQXSMFZ-RHSMWYFYSA-N 1 0 302.418 2.227 50 0 DEAARO [NH3+]C[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1 ZINC000050041940 183768919 /nfs/dbraw/zinc/76/89/19/183768919.db2.gz MZYLEFYVLFIQOK-CYBMUJFWSA-N 1 0 311.223 2.331 50 0 DEAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000110646545 194345372 /nfs/dbraw/zinc/34/53/72/194345372.db2.gz GFXDCBVUZZIACZ-UONOGXRCSA-N 1 0 303.431 2.410 50 0 DEAARO O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)[C@@H]1CCCO1 ZINC000058014455 184067161 /nfs/dbraw/zinc/06/71/61/184067161.db2.gz VVWFYXDLKKIOPM-KRWDZBQOSA-N 1 0 311.385 2.489 50 0 DEAARO Cc1ccc([C@@H](C[NH2+]Cc2cccc(O)c2)N2CCOCC2)o1 ZINC000058150807 184081589 /nfs/dbraw/zinc/08/15/89/184081589.db2.gz KQTLXONVAJPAJV-QGZVFWFLSA-N 1 0 316.401 2.457 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000058363513 184108908 /nfs/dbraw/zinc/10/89/08/184108908.db2.gz UAYQUOQEHUPMIH-INIZCTEOSA-N 1 0 318.417 2.259 50 0 DEAARO COC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000058358029 184109068 /nfs/dbraw/zinc/10/90/68/184109068.db2.gz VFXLOAIFJBRIRP-ZFWWWQNUSA-N 1 0 308.397 2.189 50 0 DEAARO CN(C)[C@@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)c1ccco1 ZINC000058245499 184094574 /nfs/dbraw/zinc/09/45/74/184094574.db2.gz ULBVEISVEOKJRS-HNNXBMFYSA-N 1 0 315.421 2.062 50 0 DEAARO C[NH+](C)CCn1cc(C(=O)NC2=NCCS2)c2ccccc21 ZINC000058415168 184114753 /nfs/dbraw/zinc/11/47/53/184114753.db2.gz LBUUKGVACRSDPM-UHFFFAOYSA-N 1 0 316.430 2.036 50 0 DEAARO Cc1csc(=O)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000061172334 184164001 /nfs/dbraw/zinc/16/40/01/184164001.db2.gz PLWZDULTYBOXGX-UHFFFAOYSA-N 1 0 317.458 2.036 50 0 DEAARO Cc1nc(-c2ccccn2)sc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000063117124 184271559 /nfs/dbraw/zinc/27/15/59/184271559.db2.gz NDFXKFBWINPODV-UHFFFAOYSA-N 1 0 316.430 2.338 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000269151725 207279144 /nfs/dbraw/zinc/27/91/44/207279144.db2.gz RSPPFERCWWXSFA-WDEREUQCSA-N 1 0 314.788 2.314 50 0 DEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000065370824 184329868 /nfs/dbraw/zinc/32/98/68/184329868.db2.gz GZSOVFSGQXFEFH-GOSISDBHSA-N 1 0 314.429 2.271 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000065412728 184340656 /nfs/dbraw/zinc/34/06/56/184340656.db2.gz QNRRZXPUGCZNHO-UHFFFAOYSA-N 1 0 304.369 2.083 50 0 DEAARO CCc1ncc(C(=O)NC[C@@H](c2sccc2C)[NH+](C)C)cn1 ZINC000065404876 184337717 /nfs/dbraw/zinc/33/77/17/184337717.db2.gz UWMKPNNBISIYKP-ZDUSSCGKSA-N 1 0 318.446 2.442 50 0 DEAARO CC(C)[C@H](C(=O)NCc1ccccc1-n1cccn1)[NH+](C)C ZINC000065576065 184368402 /nfs/dbraw/zinc/36/84/02/184368402.db2.gz UGZOQFKKKOTTEG-MRXNPFEDSA-N 1 0 300.406 2.075 50 0 DEAARO Cc1ccc2nc(C[NH+]3CCC(c4cn[nH]c4)CC3)cc(=O)n2c1 ZINC000065590178 184369804 /nfs/dbraw/zinc/36/98/04/184369804.db2.gz XTGFMSLHJZKBDF-UHFFFAOYSA-N 1 0 323.400 2.106 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(CCO)Cc1ccccc1F ZINC000065505755 184356911 /nfs/dbraw/zinc/35/69/11/184356911.db2.gz JLDVZMGMGWBMKC-MRXNPFEDSA-N 1 0 308.397 2.021 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000065624312 184375222 /nfs/dbraw/zinc/37/52/22/184375222.db2.gz NWYPDJWEHLLIQA-AWEZNQCLSA-N 1 0 318.339 2.048 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000269240852 207372088 /nfs/dbraw/zinc/37/20/88/207372088.db2.gz XNMVPAFSKVQEHZ-BMFZPTHFSA-N 1 0 306.381 2.243 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)c1 ZINC000299739205 533084579 /nfs/dbraw/zinc/08/45/79/533084579.db2.gz LTSJAUNAHAVQQS-GUTXKFCHSA-N 1 0 318.417 2.147 50 0 DEAARO Fc1cccnc1N1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156321069 197104445 /nfs/dbraw/zinc/10/44/45/197104445.db2.gz HQFQWVYDVLSMSQ-AWEZNQCLSA-N 1 0 321.396 2.075 50 0 DEAARO C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)CC[NH2+]1 ZINC000155144961 197026148 /nfs/dbraw/zinc/02/61/48/197026148.db2.gz HNDLZNGGFNIDCT-SNVBAGLBSA-N 1 0 305.378 2.383 50 0 DEAARO C[NH2+]CC1CCN(C(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000152258148 196796016 /nfs/dbraw/zinc/79/60/16/196796016.db2.gz GHRYTLSPMIKFSW-UHFFFAOYSA-N 1 0 306.797 2.059 50 0 DEAARO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000194069999 256592795 /nfs/dbraw/zinc/59/27/95/256592795.db2.gz VRDSJJSYCTZBCC-HNNXBMFYSA-N 1 0 311.809 2.394 50 0 DEAARO COc1cc(C)c(C[NH2+]C[C@H](C)N2CCOC[C@H]2C)cc1OC ZINC000245343907 533573415 /nfs/dbraw/zinc/57/34/15/533573415.db2.gz WKLVOIPHBZQCPR-LSDHHAIUSA-N 1 0 322.449 2.211 50 0 DEAARO CCn1c(C)cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000053758869 134771662 /nfs/dbraw/zinc/77/16/62/134771662.db2.gz PYXYZVUMQZCUSU-UHFFFAOYSA-N 1 0 312.417 2.482 50 0 DEAARO CC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000003683564 401724625 /nfs/dbraw/zinc/72/46/25/401724625.db2.gz SHRDDASXRUSSKF-UHFFFAOYSA-N 1 0 301.434 2.105 50 0 DEAARO CC[C@](CO)(C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000004698308 401726726 /nfs/dbraw/zinc/72/67/26/401726726.db2.gz UVFFMBYRGIAWRW-SUTQANCOSA-N 1 0 317.429 2.495 50 0 DEAARO O=C(C[NH+]1CCCCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000007781854 401743985 /nfs/dbraw/zinc/74/39/85/401743985.db2.gz YSXBIAOHRNLKQN-UHFFFAOYSA-N 1 0 315.417 2.393 50 0 DEAARO CC(C)c1ccc(C[N@H+](CC(=O)N2CCNC2=O)C2CC2)cc1 ZINC000007797854 401744494 /nfs/dbraw/zinc/74/44/94/401744494.db2.gz XWDWMDOFXAOPQP-UHFFFAOYSA-N 1 0 315.417 2.326 50 0 DEAARO O=C(CC[NH+]1CCCCC1)NC[C@H]1OCCc2ccccc21 ZINC000000108693 401688151 /nfs/dbraw/zinc/68/81/51/401688151.db2.gz QJPKKCKDEGBHGX-QGZVFWFLSA-N 1 0 302.418 2.293 50 0 DEAARO Cn1c(C[NH2+]C[C@H]2CCCN2c2cccnn2)nc2ccccc21 ZINC000071859931 401688735 /nfs/dbraw/zinc/68/87/35/401688735.db2.gz VMMMGBPUPHSMAW-CQSZACIVSA-N 1 0 322.416 2.122 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@@H]3CCCO3)C2)c1 ZINC000110659080 401693060 /nfs/dbraw/zinc/69/30/60/401693060.db2.gz YLGIAIXDRWULOF-HOCLYGCPSA-N 1 0 320.433 2.393 50 0 DEAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000317457 401694404 /nfs/dbraw/zinc/69/44/04/401694404.db2.gz BEEHJXFUYQZTJR-QGZVFWFLSA-N 1 0 320.408 2.333 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1O ZINC000071924575 401698042 /nfs/dbraw/zinc/69/80/42/401698042.db2.gz WGRWMMZTUQWHHR-STQMWFEESA-N 1 0 306.406 2.280 50 0 DEAARO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000000757355 401702596 /nfs/dbraw/zinc/70/25/96/401702596.db2.gz RONBKLAQNBHZDJ-QMMMGPOBSA-N 1 0 303.225 2.208 50 0 DEAARO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000000783060 401702885 /nfs/dbraw/zinc/70/28/85/401702885.db2.gz XVRZXWBWXZFCJX-ZDUSSCGKSA-N 1 0 306.406 2.260 50 0 DEAARO CCOC(=O)c1csc(N2[NH2+]C(C)=C[C@]2(O)C(F)(F)F)n1 ZINC000001415773 401707264 /nfs/dbraw/zinc/70/72/64/401707264.db2.gz ZKWMSPCAXAMMME-JTQLQIEISA-N 1 0 323.296 2.157 50 0 DEAARO COC[C@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000002639634 401715851 /nfs/dbraw/zinc/71/58/51/401715851.db2.gz RXUYMXCFIDSZAZ-GXSJLCMTSA-N 1 0 308.205 2.358 50 0 DEAARO COc1cc(NC(=S)NC2CC[NH+](C)CC2)cc(OC)c1 ZINC000013775626 401804611 /nfs/dbraw/zinc/80/46/11/401804611.db2.gz OCIRKSWYVUJWCS-UHFFFAOYSA-N 1 0 309.435 2.084 50 0 DEAARO CCCc1nc(CN(C)CC2CC[NH+](CCO)CC2)cs1 ZINC000075132890 401750944 /nfs/dbraw/zinc/75/09/44/401750944.db2.gz HZCWKRDHMAZUSH-UHFFFAOYSA-N 1 0 311.495 2.232 50 0 DEAARO COc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008844737 401757104 /nfs/dbraw/zinc/75/71/04/401757104.db2.gz BQBXOFYYXLPQMK-KRWDZBQOSA-N 1 0 313.397 2.493 50 0 DEAARO CC[N@H+](CCO)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000009514634 401763345 /nfs/dbraw/zinc/76/33/45/401763345.db2.gz LNANMGAEWQKWLV-INIZCTEOSA-N 1 0 309.450 2.346 50 0 DEAARO CCOCC[N@@H+]1CCN(c2ncnc3sccc32)C[C@@H]1C ZINC000075584707 401763576 /nfs/dbraw/zinc/76/35/76/401763576.db2.gz PNXGIDLXYKOANU-LBPRGKRZSA-N 1 0 306.435 2.238 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccccc2)C1 ZINC000010544021 401771201 /nfs/dbraw/zinc/77/12/01/401771201.db2.gz CKOSAIIGKVLWOD-GJZGRUSLSA-N 1 0 310.463 2.333 50 0 DEAARO CC[C@H](CO)[NH+]1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000075963274 401775298 /nfs/dbraw/zinc/77/52/98/401775298.db2.gz XXACDEDQYLUWOH-OAHLLOKOSA-N 1 0 321.446 2.292 50 0 DEAARO Cn1nccc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011998066 401777983 /nfs/dbraw/zinc/77/79/83/401777983.db2.gz WBELQTDPZVFKFK-CQSZACIVSA-N 1 0 304.438 2.337 50 0 DEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+](C)C)C2=O)cc1 ZINC000012051653 401778824 /nfs/dbraw/zinc/77/88/24/401778824.db2.gz UDGKQUWGFMTIJM-SFHVURJKSA-N 1 0 304.434 2.225 50 0 DEAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cnccn1 ZINC000012074807 401778842 /nfs/dbraw/zinc/77/88/42/401778842.db2.gz ILGMJSREOQAWPI-AWEZNQCLSA-N 1 0 302.422 2.394 50 0 DEAARO OCC1(C[C@@H]2CCCCO2)CC[NH+](CCCn2cccn2)CC1 ZINC000012207599 401781611 /nfs/dbraw/zinc/78/16/11/401781611.db2.gz XYUOEGJXLCCNLF-KRWDZBQOSA-N 1 0 321.465 2.307 50 0 DEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000019902080 401823214 /nfs/dbraw/zinc/82/32/14/401823214.db2.gz HPCAKMIZZYYYOA-SFHVURJKSA-N 1 0 315.461 2.319 50 0 DEAARO COCc1cn(C[C@@H]2CCCN(c3cc[nH+]c(C)c3)C2)nn1 ZINC000023337359 401827947 /nfs/dbraw/zinc/82/79/47/401827947.db2.gz QAMXNGHIWFIXLD-CQSZACIVSA-N 1 0 301.394 2.045 50 0 DEAARO CCc1c(Cl)nc(C)nc1NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000078290313 401845713 /nfs/dbraw/zinc/84/57/13/401845713.db2.gz BSVIQOWADYFWTN-CYBMUJFWSA-N 1 0 322.844 2.449 50 0 DEAARO CCC[C@H](C)[N@H+](C)CC(=O)NC(=O)NCCc1cccs1 ZINC000030270060 401862210 /nfs/dbraw/zinc/86/22/10/401862210.db2.gz MJNLLGLSARAEGE-LBPRGKRZSA-N 1 0 311.451 2.237 50 0 DEAARO O=C(C[NH2+]Cc1c[nH]nc1-c1cccs1)NCc1ccco1 ZINC000030642600 401864945 /nfs/dbraw/zinc/86/49/45/401864945.db2.gz SFZVVPPMGARCCH-UHFFFAOYSA-N 1 0 316.386 2.137 50 0 DEAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000030904372 401867047 /nfs/dbraw/zinc/86/70/47/401867047.db2.gz VHLCFNXCGXQWPS-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000030909694 401867090 /nfs/dbraw/zinc/86/70/90/401867090.db2.gz NRSCLEIIMBNDCL-LBPRGKRZSA-N 1 0 305.378 2.087 50 0 DEAARO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCC(=O)NC(N)=O ZINC000078988385 401868824 /nfs/dbraw/zinc/86/88/24/401868824.db2.gz OZBPLIUIDPOLDW-GHMZBOCLSA-N 1 0 311.813 2.349 50 0 DEAARO CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077377588 401813055 /nfs/dbraw/zinc/81/30/55/401813055.db2.gz JEQIZSVNOPRFFK-DOTOQJQBSA-N 1 0 314.429 2.153 50 0 DEAARO CC[C@H]1COCC[N@@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000077391408 401814082 /nfs/dbraw/zinc/81/40/82/401814082.db2.gz AUGYIXUZXAEEHN-KRWDZBQOSA-N 1 0 302.418 2.072 50 0 DEAARO O=C(Cn1cccn1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015079061 401815765 /nfs/dbraw/zinc/81/57/65/401815765.db2.gz SHWNYFBOBNVYLN-OAHLLOKOSA-N 1 0 304.438 2.187 50 0 DEAARO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470797 401816513 /nfs/dbraw/zinc/81/65/13/401816513.db2.gz CCUWZPQYOMDWOC-GOSISDBHSA-N 1 0 320.408 2.197 50 0 DEAARO Nc1nc(=O)n(CC[NH+]2CCCCC2)c2sc3c(c21)CCC3 ZINC000040284101 401924516 /nfs/dbraw/zinc/92/45/16/401924516.db2.gz TZGIYMQFPQUSQQ-UHFFFAOYSA-N 1 0 318.446 2.015 50 0 DEAARO CCc1cc(NCCC(F)(F)F)nc(N2CCOCC2)[nH+]1 ZINC000032529710 401879943 /nfs/dbraw/zinc/87/99/43/401879943.db2.gz MBTGTQHMZBTVED-UHFFFAOYSA-N 1 0 304.316 2.240 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000032668068 401881549 /nfs/dbraw/zinc/88/15/49/401881549.db2.gz READXKMYYJGGDD-MRXNPFEDSA-N 1 0 301.390 2.066 50 0 DEAARO Cc1ccc(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032754951 401882598 /nfs/dbraw/zinc/88/25/98/401882598.db2.gz ULESJMKZLNNFQR-IYBDPMFKSA-N 1 0 319.449 2.294 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000032930883 401886686 /nfs/dbraw/zinc/88/66/86/401886686.db2.gz HYDLZIABDHNKND-QGZVFWFLSA-N 1 0 312.417 2.015 50 0 DEAARO C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]([NH2+]C)C2)c(OC)c1 ZINC000133486500 401888090 /nfs/dbraw/zinc/88/80/90/401888090.db2.gz WOOMIRHVXUQIBV-CSPWOOARSA-N 1 0 318.417 2.318 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000035272218 401897816 /nfs/dbraw/zinc/89/78/16/401897816.db2.gz JZLBQZKQSQGQMU-LLVKDONJSA-N 1 0 307.781 2.486 50 0 DEAARO C[C@@H](O)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000035601420 401900058 /nfs/dbraw/zinc/90/00/58/401900058.db2.gz MDPHHCZLKBKMOQ-SECBINFHSA-N 1 0 316.195 2.081 50 0 DEAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036095442 401901755 /nfs/dbraw/zinc/90/17/55/401901755.db2.gz MEXXGZWKHNXECF-INIZCTEOSA-N 1 0 313.413 2.450 50 0 DEAARO CCC[C@@H](O)C[N@H+](CCOC)Cc1cccc(OC)c1OC ZINC000036097116 401902506 /nfs/dbraw/zinc/90/25/06/401902506.db2.gz RFPKRONRUOATEV-OAHLLOKOSA-N 1 0 311.422 2.313 50 0 DEAARO COC[C@H](C)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000084640359 401908089 /nfs/dbraw/zinc/90/80/89/401908089.db2.gz FUKLQNWIGVFOID-NSHDSACASA-N 1 0 314.227 2.001 50 0 DEAARO C[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1cc2ccccc2o1 ZINC000089519724 401950988 /nfs/dbraw/zinc/95/09/88/401950988.db2.gz IYNQISMFHKISJJ-GFCCVEGCSA-N 1 0 308.403 2.119 50 0 DEAARO COC[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000044948543 401951662 /nfs/dbraw/zinc/95/16/62/401951662.db2.gz MGOTWXBJTNUDQI-ZIAGYGMSSA-N 1 0 309.410 2.141 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC000089580408 401952414 /nfs/dbraw/zinc/95/24/14/401952414.db2.gz HDIOIBLFBCLJQQ-CQSZACIVSA-N 1 0 322.449 2.475 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2cc(C)ccc2OC)CC1 ZINC000089611922 401954304 /nfs/dbraw/zinc/95/43/04/401954304.db2.gz YAALZCPHMHYDFS-UHFFFAOYSA-N 1 0 320.433 2.092 50 0 DEAARO CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1 ZINC000089702121 401958051 /nfs/dbraw/zinc/95/80/51/401958051.db2.gz GFNACPUGTHWKQB-MRXNPFEDSA-N 1 0 312.417 2.218 50 0 DEAARO CCc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046035156 401965106 /nfs/dbraw/zinc/96/51/06/401965106.db2.gz NXACFSZWKNQLNM-AWEZNQCLSA-N 1 0 310.463 2.259 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc2ccccc2[nH]1 ZINC000047144576 401979250 /nfs/dbraw/zinc/97/92/50/401979250.db2.gz LQJMEJNCMWOHDN-AWEZNQCLSA-N 1 0 314.433 2.486 50 0 DEAARO Cc1ccc2nc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc(=O)n2c1 ZINC000047405744 401981670 /nfs/dbraw/zinc/98/16/70/401981670.db2.gz RYTMXIRPFHLCDS-AWEZNQCLSA-N 1 0 313.401 2.004 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2nncs2)C1 ZINC000047497976 401982625 /nfs/dbraw/zinc/98/26/25/401982625.db2.gz HZAHLTNWWSPCIJ-VXGBXAGGSA-N 1 0 311.455 2.418 50 0 DEAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1cccnc1 ZINC000047596872 401984742 /nfs/dbraw/zinc/98/47/42/401984742.db2.gz LHHZTQHBWFHHRN-UHFFFAOYSA-N 1 0 324.428 2.329 50 0 DEAARO NC(=O)CC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000048026954 401992324 /nfs/dbraw/zinc/99/23/24/401992324.db2.gz VAUYBVZCFRLNSB-UHFFFAOYSA-N 1 0 301.365 2.461 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000048022982 401992630 /nfs/dbraw/zinc/99/26/30/401992630.db2.gz FMWYVBLBDWWDEK-OAHLLOKOSA-N 1 0 322.836 2.063 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccccn1)c1cccs1 ZINC000044889755 401949416 /nfs/dbraw/zinc/94/94/16/401949416.db2.gz YQOKQMLHLUIRIU-ZDUSSCGKSA-N 1 0 304.419 2.245 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000044890048 401949432 /nfs/dbraw/zinc/94/94/32/401949432.db2.gz UVVHBNAJLVUNMC-MRXNPFEDSA-N 1 0 320.481 2.299 50 0 DEAARO CC(C)c1cc(N[C@@H]2CCCN(c3cnccn3)C2)nc(N)[nH+]1 ZINC000095385922 402031330 /nfs/dbraw/zinc/03/13/30/402031330.db2.gz WAHBQEQCNWXRIM-GFCCVEGCSA-N 1 0 313.409 2.053 50 0 DEAARO c1ccc(CN2CCC([NH2+]CCOc3cccnc3)CC2)nc1 ZINC000095422449 402032634 /nfs/dbraw/zinc/03/26/34/402032634.db2.gz CTLSFDIQRLBEQG-UHFFFAOYSA-N 1 0 312.417 2.110 50 0 DEAARO COCC[NH+]1CCN(C[C@@H](O)c2ccc(CC(C)C)cc2)CC1 ZINC000051281754 402033135 /nfs/dbraw/zinc/03/31/35/402033135.db2.gz MZBBSWJNVZGKRH-LJQANCHMSA-N 1 0 320.477 2.183 50 0 DEAARO CC[N@H+](CCC(=O)N1CCc2ccccc21)C[C@H]1CCCO1 ZINC000051554972 402034656 /nfs/dbraw/zinc/03/46/56/402034656.db2.gz LNLCLUKMQMIOCU-MRXNPFEDSA-N 1 0 302.418 2.467 50 0 DEAARO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cnccc1N(C)C)C2 ZINC000095940050 402035327 /nfs/dbraw/zinc/03/53/27/402035327.db2.gz XFTFIKGXFUNCPN-HNNXBMFYSA-N 1 0 313.401 2.250 50 0 DEAARO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc([S@@](C)=O)cc1 ZINC000095968219 402038473 /nfs/dbraw/zinc/03/84/73/402038473.db2.gz TVUBTMHMJQSEDV-YUNKPMOVSA-N 1 0 313.488 2.333 50 0 DEAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000095972393 402038925 /nfs/dbraw/zinc/03/89/25/402038925.db2.gz 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/nfs/dbraw/zinc/04/69/01/402046901.db2.gz MKRNXIFUCYVEHW-SECBINFHSA-N 1 0 315.204 2.435 50 0 DEAARO C[C@H](CCNC(=O)N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC000096011054 402047067 /nfs/dbraw/zinc/04/70/67/402047067.db2.gz QIJWBNBJQUYEJW-OAHLLOKOSA-N 1 0 311.470 2.319 50 0 DEAARO Cc1ccc(C[N@H+](CCC(=O)NC(N)=O)Cc2ccco2)s1 ZINC000053087375 402050734 /nfs/dbraw/zinc/05/07/34/402050734.db2.gz DWUIGNHLBMUJOL-UHFFFAOYSA-N 1 0 321.402 2.237 50 0 DEAARO Cc1cc(C[C@H](C)NC(=O)CC[NH+]2CCCCCCC2)[nH]n1 ZINC000055054621 402074726 /nfs/dbraw/zinc/07/47/26/402074726.db2.gz KFPMUCHRXCSBIY-AWEZNQCLSA-N 1 0 306.454 2.422 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000097238411 402120128 /nfs/dbraw/zinc/12/01/28/402120128.db2.gz GEMFQUCIFNLCMH-KRWDZBQOSA-N 1 0 314.385 2.166 50 0 DEAARO O=C(NC[C@H]1CCC[NH2+]C1)c1c(F)cccc1Br ZINC000122412120 402077267 /nfs/dbraw/zinc/07/72/67/402077267.db2.gz RUIXTVLRCUSARJ-VIFPVBQESA-N 1 0 315.186 2.318 50 0 DEAARO O=C(NCC[NH2+]Cc1cccc2c1OCCCO2)C1CCCC1 ZINC000096406038 402078661 /nfs/dbraw/zinc/07/86/61/402078661.db2.gz OWQJFHPQYGSMCY-UHFFFAOYSA-N 1 0 318.417 2.244 50 0 DEAARO CC(C)COC(=O)N1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000096413367 402080514 /nfs/dbraw/zinc/08/05/14/402080514.db2.gz ATHHSJSKFWDXJL-UHFFFAOYSA-N 1 0 311.470 2.273 50 0 DEAARO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)CN2CCOCC2)o1 ZINC000096415757 402081323 /nfs/dbraw/zinc/08/13/23/402081323.db2.gz WWNXSDQFHXHFJB-IAGOWNOFSA-N 1 0 322.449 2.198 50 0 DEAARO COc1cccc(CCC[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000096424157 402083388 /nfs/dbraw/zinc/08/33/88/402083388.db2.gz ZSSCLDZVBJXJIF-INIZCTEOSA-N 1 0 317.433 2.117 50 0 DEAARO C[NH+]1CCN(CCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000096432176 402085812 /nfs/dbraw/zinc/08/58/12/402085812.db2.gz ALWLRVLEMRIDBX-UHFFFAOYSA-N 1 0 319.449 2.297 50 0 DEAARO Cc1cccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000096435358 402086200 /nfs/dbraw/zinc/08/62/00/402086200.db2.gz YIIAXOOEXWDLNK-UHFFFAOYSA-N 1 0 301.394 2.075 50 0 DEAARO C[C@@H](CNC(=O)N[C@@H]1CCSC1)[N@H+](C)Cc1ccccc1 ZINC000096440062 402087301 /nfs/dbraw/zinc/08/73/01/402087301.db2.gz SMCBPMAJPKEPIC-DZGCQCFKSA-N 1 0 307.463 2.312 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)c2cccc(C3OCCO3)c2)CC1 ZINC000096486734 402095010 /nfs/dbraw/zinc/09/50/10/402095010.db2.gz TWEQCQQUGRFWOW-UHFFFAOYSA-N 1 0 318.417 2.290 50 0 DEAARO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CCOC1 ZINC000096487635 402095132 /nfs/dbraw/zinc/09/51/32/402095132.db2.gz CFIBVJKOKVVGAC-HOCLYGCPSA-N 1 0 311.470 2.175 50 0 DEAARO CCOc1cccc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000096489067 402095698 /nfs/dbraw/zinc/09/56/98/402095698.db2.gz AVNURYMNGXNOAF-INIZCTEOSA-N 1 0 318.465 2.087 50 0 DEAARO CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000096495029 402096585 /nfs/dbraw/zinc/09/65/85/402096585.db2.gz DRGAGJKNOGQFOO-ZIAGYGMSSA-N 1 0 305.422 2.283 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000096496475 402096911 /nfs/dbraw/zinc/09/69/11/402096911.db2.gz JQZBTCKKRJWPCS-CQSZACIVSA-N 1 0 313.405 2.184 50 0 DEAARO NC(=O)c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000097034684 402100828 /nfs/dbraw/zinc/10/08/28/402100828.db2.gz GYEHUVATPHBAMW-ZACQAIPSSA-N 1 0 314.429 2.265 50 0 DEAARO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000058424886 402101122 /nfs/dbraw/zinc/10/11/22/402101122.db2.gz KAOWURKSHPHOFQ-IAGOWNOFSA-N 1 0 302.418 2.403 50 0 DEAARO COc1c(C[NH2+]C[C@H]2COc3ccccc3C2)c(C)nn1C ZINC000058428101 402101152 /nfs/dbraw/zinc/10/11/52/402101152.db2.gz UYZWPYMFNWFJMK-ZDUSSCGKSA-N 1 0 301.390 2.078 50 0 DEAARO C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000097086566 402106188 /nfs/dbraw/zinc/10/61/88/402106188.db2.gz KIWXDLBZKVCECY-GJZGRUSLSA-N 1 0 316.449 2.497 50 0 DEAARO Cc1ccc(C)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000097103617 402107613 /nfs/dbraw/zinc/10/76/13/402107613.db2.gz BRAHHIIYABXRPN-UHFFFAOYSA-N 1 0 310.463 2.408 50 0 DEAARO CNC(=O)c1cccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1C ZINC000097115916 402109926 /nfs/dbraw/zinc/10/99/26/402109926.db2.gz ADAIAMPSOGGLHT-INIZCTEOSA-N 1 0 315.417 2.168 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063193994 402111393 /nfs/dbraw/zinc/11/13/93/402111393.db2.gz GQSHTBLBNLQMOM-CABZTGNLSA-N 1 0 320.817 2.370 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000097159228 402112339 /nfs/dbraw/zinc/11/23/39/402112339.db2.gz OZCYAEANVQCTAK-UHFFFAOYSA-N 1 0 306.454 2.151 50 0 DEAARO CCC[N@H+](Cc1cccnc1)Cc1ccccc1OCC(N)=O ZINC000063835334 402115491 /nfs/dbraw/zinc/11/54/91/402115491.db2.gz CIMLTHHFBKAWDD-UHFFFAOYSA-N 1 0 313.401 2.358 50 0 DEAARO C[NH+](C)Cc1cc(NCc2ccccc2Cn2cccn2)ncn1 ZINC000063847949 402116664 /nfs/dbraw/zinc/11/66/64/402116664.db2.gz ZSRLIUHEQBRADH-UHFFFAOYSA-N 1 0 322.416 2.395 50 0 DEAARO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202667 402116839 /nfs/dbraw/zinc/11/68/39/402116839.db2.gz YYJGIACMAXIJQE-UHFFFAOYSA-N 1 0 312.417 2.248 50 0 DEAARO Cc1nc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)sc1C ZINC000097234400 402119387 /nfs/dbraw/zinc/11/93/87/402119387.db2.gz MNFRNGDZSULPHI-KGLIPLIRSA-N 1 0 322.478 2.386 50 0 DEAARO Cc1ccc(-c2nc([C@H]3CC[NH2+]C3)n(CC(F)(F)F)n2)o1 ZINC000096161122 402063987 /nfs/dbraw/zinc/06/39/87/402063987.db2.gz MDIPQZBFZHSQBB-VIFPVBQESA-N 1 0 300.284 2.486 50 0 DEAARO O=C1CC[C@H]([N@@H+]2CCc3nc[nH]c3C2)CCN1Cc1ccccc1 ZINC000097675529 402130113 /nfs/dbraw/zinc/13/01/13/402130113.db2.gz ACLWWUFXLLOZNT-INIZCTEOSA-N 1 0 324.428 2.349 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1c(Cl)nc2ccccn12 ZINC000098055874 402135304 /nfs/dbraw/zinc/13/53/04/402135304.db2.gz LFWGCERQASXZBZ-DGMVEKRQSA-N 1 0 318.808 2.163 50 0 DEAARO C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@@H](C)[NH2+]1 ZINC000153625028 402157978 /nfs/dbraw/zinc/15/79/78/402157978.db2.gz VHQNSNVRCKGHJT-VZLFFANISA-N 1 0 310.401 2.094 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000067982050 402181670 /nfs/dbraw/zinc/18/16/70/402181670.db2.gz KGVUPOXGVUPXPU-CQSZACIVSA-N 1 0 304.438 2.370 50 0 DEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000068136993 402185155 /nfs/dbraw/zinc/18/51/55/402185155.db2.gz KZHAINZFXLMNGW-BBRMVZONSA-N 1 0 315.417 2.278 50 0 DEAARO CCOc1ccc2[nH]c(=O)c(CN3CC[NH2+][C@H](CC)C3)cc2c1 ZINC000067539965 402161570 /nfs/dbraw/zinc/16/15/70/402161570.db2.gz IPQQAAFKJBHFMG-OAHLLOKOSA-N 1 0 315.417 2.111 50 0 DEAARO Cc1cc[nH+]c(NCCNC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000067587713 402163589 /nfs/dbraw/zinc/16/35/89/402163589.db2.gz CFMYSYROUKMFAI-UHFFFAOYSA-N 1 0 323.352 2.338 50 0 DEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC3CCCC3)cnn2c1 ZINC000067673962 402167256 /nfs/dbraw/zinc/16/72/56/402167256.db2.gz CHIIRCKFDAURGQ-UHFFFAOYSA-N 1 0 315.421 2.244 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067677895 402167319 /nfs/dbraw/zinc/16/73/19/402167319.db2.gz TZKCZMBXWZOEMG-SFHVURJKSA-N 1 0 316.449 2.466 50 0 DEAARO O=C(NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1cncnc1 ZINC000067713303 402170070 /nfs/dbraw/zinc/17/00/70/402170070.db2.gz CAYPSNKTZJDSCQ-PFWMLDTASA-N 1 0 322.412 2.242 50 0 DEAARO C=Cc1cccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000067804926 402173065 /nfs/dbraw/zinc/17/30/65/402173065.db2.gz YLYMYLNGPSYWFT-MRXNPFEDSA-N 1 0 320.458 2.233 50 0 DEAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1cncnc1 ZINC000067871400 402176727 /nfs/dbraw/zinc/17/67/27/402176727.db2.gz BJAPGDCDZIISTM-AWEZNQCLSA-N 1 0 314.389 2.102 50 0 DEAARO Cc1nc2cc(C(=O)NCCNc3cc(C)cc[nH+]3)ccc2[nH]1 ZINC000067872135 402176937 /nfs/dbraw/zinc/17/69/37/402176937.db2.gz MFLTUDRWKUYYDW-UHFFFAOYSA-N 1 0 309.373 2.417 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)Nc2cccc(F)c2)C1 ZINC000067871680 402177026 /nfs/dbraw/zinc/17/70/26/402177026.db2.gz YBKDKEMHLVPZDY-CYBMUJFWSA-N 1 0 321.396 2.002 50 0 DEAARO COc1ccc(-c2cncc(C(=O)N3CC[NH2+]C[C@H]3C)c2)cc1 ZINC000125150743 402216079 /nfs/dbraw/zinc/21/60/79/402216079.db2.gz ALMOIZAUHXWUSN-CYBMUJFWSA-N 1 0 311.385 2.191 50 0 DEAARO CC[N@@H+]1CCCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000106855223 402217991 /nfs/dbraw/zinc/21/79/91/402217991.db2.gz OTENXNPKOCNPFB-DLBZAZTESA-N 1 0 317.477 2.322 50 0 DEAARO COc1cc2c(c(C[NH2+][C@H](C)Cn3cccn3)c1)O[C@H](C)C2 ZINC000069376759 402220757 /nfs/dbraw/zinc/22/07/57/402220757.db2.gz LKGIFUBPBNVGNP-CHWSQXEVSA-N 1 0 301.390 2.393 50 0 DEAARO C[C@@H]1CN([C@H](C[NH2+]Cc2ncc[nH]2)c2cccs2)CCO1 ZINC000106910343 402221857 /nfs/dbraw/zinc/22/18/57/402221857.db2.gz PLBBJZPHIIPILA-CHWSQXEVSA-N 1 0 306.435 2.023 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CC[NH2+]C[C@H]2C)cc1OC ZINC000125264124 402222709 /nfs/dbraw/zinc/22/27/09/402222709.db2.gz BFHOCFIUZMMZDM-SNVBAGLBSA-N 1 0 312.797 2.181 50 0 DEAARO CCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000070738571 402264172 /nfs/dbraw/zinc/26/41/72/402264172.db2.gz YWDMZFAKVDQDNO-ZDUSSCGKSA-N 1 0 308.422 2.440 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]CCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000069571056 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CCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC000069776703 402243569 /nfs/dbraw/zinc/24/35/69/402243569.db2.gz JZTXNVPXIFGYCH-HUUCEWRRSA-N 1 0 304.438 2.300 50 0 DEAARO CCc1nc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cs1 ZINC000069815008 402245836 /nfs/dbraw/zinc/24/58/36/402245836.db2.gz GHBAXJXQSVGISA-KGLIPLIRSA-N 1 0 307.463 2.333 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc2nc(C)cs2)c1 ZINC000069841504 402246817 /nfs/dbraw/zinc/24/68/17/402246817.db2.gz OBRIAGLJEZRAED-NEPJUHHUSA-N 1 0 307.423 2.134 50 0 DEAARO CC[C@H]1CN(CCOc2ccccc2F)CC[N@@H+]1CCOC ZINC000069849541 402247805 /nfs/dbraw/zinc/24/78/05/402247805.db2.gz LHSSAOPNAZCXSD-HNNXBMFYSA-N 1 0 310.413 2.247 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@@H](C)n1cccn1 ZINC000069870255 402248174 /nfs/dbraw/zinc/24/81/74/402248174.db2.gz AAXZGTQOXUBXAH-GRYCIOLGSA-N 1 0 321.812 2.498 50 0 DEAARO Fc1ccc(-c2nc(C[NH2+][C@@H]3CCc4ncnn4C3)co2)cc1 ZINC000069872222 402248351 /nfs/dbraw/zinc/24/83/51/402248351.db2.gz 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ZINC000220494915 402301124 /nfs/dbraw/zinc/30/11/24/402301124.db2.gz LEWMUOCKTMLGBK-GFCCVEGCSA-N 1 0 313.492 2.458 50 0 DEAARO CCc1nccc(CN2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000220564956 402302105 /nfs/dbraw/zinc/30/21/05/402302105.db2.gz RMHNZNGKWTYHAS-UHFFFAOYSA-N 1 0 310.445 2.399 50 0 DEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC=CCC1 ZINC000225563843 402321129 /nfs/dbraw/zinc/32/11/29/402321129.db2.gz OZMJYAQGLPWISP-INIZCTEOSA-N 1 0 306.450 2.350 50 0 DEAARO O=C(Cc1csc(-c2ccco2)n1)N[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000229374205 402342435 /nfs/dbraw/zinc/34/24/35/402342435.db2.gz IDHADDFJKXMWJK-OLZOCXBDSA-N 1 0 317.414 2.299 50 0 DEAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1(C)C ZINC000230257366 402349794 /nfs/dbraw/zinc/34/97/94/402349794.db2.gz MJLLRDXWVCFBHU-GVDBMIGSSA-N 1 0 321.509 2.225 50 0 DEAARO CCC[NH2+]CCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000236762721 402380958 /nfs/dbraw/zinc/38/09/58/402380958.db2.gz XSBARFCJBGCSRS-UHFFFAOYSA-N 1 0 321.808 2.383 50 0 DEAARO O=C(NCCCOc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000237763358 402420270 /nfs/dbraw/zinc/42/02/70/402420270.db2.gz ZIBLDGZMXOOPGV-JTQLQIEISA-N 1 0 317.216 2.488 50 0 DEAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000237954349 402427860 /nfs/dbraw/zinc/42/78/60/402427860.db2.gz VNQBUADVAXNQRN-MSOLQXFVSA-N 1 0 310.397 2.492 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1Br ZINC000237961281 402428665 /nfs/dbraw/zinc/42/86/65/402428665.db2.gz OHQLIGZPVBOMDZ-GUOLPTJISA-N 1 0 309.207 2.412 50 0 DEAARO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cn1 ZINC000242339351 402444561 /nfs/dbraw/zinc/44/45/61/402444561.db2.gz ZHBPKMVRUWKHGZ-UHFFFAOYSA-N 1 0 318.465 2.274 50 0 DEAARO Cc1nc(NC2(C[NH+]3CCCCC3)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244723941 402448692 /nfs/dbraw/zinc/44/86/92/402448692.db2.gz MKRDDTPRFMKECO-GASCZTMLSA-N 1 0 316.449 2.454 50 0 DEAARO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCCc1nccn1C ZINC000244724583 402448855 /nfs/dbraw/zinc/44/88/55/402448855.db2.gz MWTLJUKUXHKXRL-CQSZACIVSA-N 1 0 306.454 2.122 50 0 DEAARO CC(C)COCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245338763 402453149 /nfs/dbraw/zinc/45/31/49/402453149.db2.gz OKRZQJMDPILEAQ-ULQDDVLXSA-N 1 0 323.481 2.175 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000178571534 402513128 /nfs/dbraw/zinc/51/31/28/402513128.db2.gz YLMHESKPCJXSSV-LBPRGKRZSA-N 1 0 319.405 2.294 50 0 DEAARO CN(CCOc1cccc(Cl)c1)C(=O)c1c[nH+]ccc1N ZINC000187280065 402491698 /nfs/dbraw/zinc/49/16/98/402491698.db2.gz XUNSVSCXMMVMHQ-UHFFFAOYSA-N 1 0 305.765 2.468 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000179019766 402564964 /nfs/dbraw/zinc/56/49/64/402564964.db2.gz OPQVCULNWXFAKP-NSHDSACASA-N 1 0 318.808 2.412 50 0 DEAARO CN(C(=O)c1c[nH]nc1-c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179116235 402573764 /nfs/dbraw/zinc/57/37/64/402573764.db2.gz NDAUPTDDPZUHKR-SNVBAGLBSA-N 1 0 304.781 2.164 50 0 DEAARO CO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C 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225235606 /nfs/dbraw/zinc/23/56/06/225235606.db2.gz KBDIYCLCJVBIMI-NVXWUHKLSA-N 1 0 304.434 2.392 50 0 DEAARO C[C@@H]1C[C@H](NC(=O)NCCC[C@H]2CCCCO2)C[N@@H+]1C1CC1 ZINC000241897170 225216875 /nfs/dbraw/zinc/21/68/75/225216875.db2.gz TWGJUYFDSQAGRT-IJEWVQPXSA-N 1 0 309.454 2.260 50 0 DEAARO COCCC1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000408520139 227239790 /nfs/dbraw/zinc/23/97/90/227239790.db2.gz MMTAYCZHQSEFIS-CVEARBPZSA-N 1 0 320.408 2.286 50 0 DEAARO O=C1NCC[C@]12CCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000408524283 227243027 /nfs/dbraw/zinc/24/30/27/227243027.db2.gz RYISSDGZOYVPRH-CQSZACIVSA-N 1 0 314.307 2.440 50 0 DEAARO CC(C)(CNC(=S)NC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000045711380 424817386 /nfs/dbraw/zinc/81/73/86/424817386.db2.gz CKWINVHHCYDFQQ-UHFFFAOYSA-N 1 0 303.475 2.450 50 0 DEAARO OCCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000045915338 424819092 /nfs/dbraw/zinc/81/90/92/424819092.db2.gz UHWOYBXJWLSIHJ-UHFFFAOYSA-N 1 0 317.458 2.310 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000046961117 424822477 /nfs/dbraw/zinc/82/24/77/424822477.db2.gz YSLHSYQPRRIKFS-CYBMUJFWSA-N 1 0 300.406 2.415 50 0 DEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnsn2)CC1 ZINC000047831335 424827774 /nfs/dbraw/zinc/82/77/74/424827774.db2.gz LQYWDPGNGRDQMR-UHFFFAOYSA-N 1 0 316.430 2.195 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000044892505 424813741 /nfs/dbraw/zinc/81/37/41/424813741.db2.gz PXCINJUHWUBHLK-LSDHHAIUSA-N 1 0 321.421 2.285 50 0 DEAARO C[C@@]1(C(=O)NCCC[NH2+]Cc2cccnc2)CC1(Cl)Cl ZINC000120887442 424853758 /nfs/dbraw/zinc/85/37/58/424853758.db2.gz AJGNMVQIMAXWFO-ZDUSSCGKSA-N 1 0 316.232 2.261 50 0 DEAARO CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1 ZINC000244595089 424886184 /nfs/dbraw/zinc/88/61/84/424886184.db2.gz DOLRMMIVHNZURF-GASCZTMLSA-N 1 0 311.433 2.450 50 0 DEAARO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCCn3ccnc31)CC2 ZINC000655743688 425644581 /nfs/dbraw/zinc/64/45/81/425644581.db2.gz 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O=S(=O)(N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000071397527 304765731 /nfs/dbraw/zinc/76/57/31/304765731.db2.gz OQSQMIKYXMVZSO-VIFPVBQESA-N 1 0 309.218 2.024 50 0 DEAARO COCCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000534585869 334291894 /nfs/dbraw/zinc/29/18/94/334291894.db2.gz KZKQZZSQWMGDTO-KRWDZBQOSA-N 1 0 319.449 2.247 50 0 DEAARO O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000534586279 334291987 /nfs/dbraw/zinc/29/19/87/334291987.db2.gz XLSZMDNJOYIWMX-SNVBAGLBSA-N 1 0 306.797 2.222 50 0 DEAARO COc1ccc(CCCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC000534586967 334292547 /nfs/dbraw/zinc/29/25/47/334292547.db2.gz FMJGARYWRNQPAK-HOTGVXAUSA-N 1 0 317.433 2.021 50 0 DEAARO Cc1csc(CC[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)n1 ZINC000534588201 334292910 /nfs/dbraw/zinc/29/29/10/334292910.db2.gz HGEMUIGTBOONJJ-CQSZACIVSA-N 1 0 307.463 2.375 50 0 DEAARO C[C@@H]1C[N@@H+](CCCN2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000328588554 534463467 /nfs/dbraw/zinc/46/34/67/534463467.db2.gz 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Cc1ccc(N2CCC[N@H+](C[C@H](O)C3CCCCC3)CC2)nn1 ZINC000191333801 684426172 /nfs/dbraw/zinc/42/61/72/684426172.db2.gz QQOWGEWFHACLDH-KRWDZBQOSA-N 1 0 318.465 2.238 50 0 DEAARO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](CO)C2)nn1 ZINC000864086091 686615663 /nfs/dbraw/zinc/61/56/63/686615663.db2.gz DAFHRDQCPWJNNX-LBPRGKRZSA-N 1 0 322.409 2.028 50 0 DEAARO Cc1nnc([C@@H]2C[NH2+]CC23CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC000675013662 778333059 /nfs/dbraw/zinc/33/30/59/778333059.db2.gz AUPXTSLWSBHDQL-LBPRGKRZSA-N 1 0 322.409 2.082 50 0 DEAARO Cc1nc(CO[C@H]2CCC[N@H+](Cc3scnc3C)C2)no1 ZINC000675016467 778335687 /nfs/dbraw/zinc/33/56/87/778335687.db2.gz ISPLPDJILHWRFB-LBPRGKRZSA-N 1 0 308.407 2.324 50 0 DEAARO Cc1csc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2(C)C)c1 ZINC000825257280 783622370 /nfs/dbraw/zinc/62/23/70/783622370.db2.gz ZTBOTLZJOQIOPV-LBPRGKRZSA-N 1 0 316.492 2.407 50 0 DEAARO Cc1cc(S(=O)(=O)NCCn2cnc(C)c2C)c(C)s1 ZINC000825312850 783627096 /nfs/dbraw/zinc/62/70/96/783627096.db2.gz 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/nfs/dbraw/zinc/86/01/57/792860157.db2.gz XCSAKUPGESAPNG-HNNXBMFYSA-N 1 0 306.406 2.148 50 0 DEAARO Clc1cncc(Cl)c1C[NH2+]CCSc1nc[nH]n1 ZINC000952988596 792869511 /nfs/dbraw/zinc/86/95/11/792869511.db2.gz PAAPKNATDORBQY-UHFFFAOYSA-N 1 0 304.206 2.388 50 0 DEAARO CC[C@H](C(=O)Nc1ccc(C(=O)NC(C)C)cc1)[N@H+](C)CC ZINC000952991270 792878432 /nfs/dbraw/zinc/87/84/32/792878432.db2.gz MMHIPABNMAKYML-OAHLLOKOSA-N 1 0 305.422 2.494 50 0 DEAARO CCCc1ccc(C[N@@H+]2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)o1 ZINC001529111404 1070863952 /nfs/dbraw/zinc/86/39/52/1070863952.db2.gz XLVLDZDINLIMLB-DYVFJYSZSA-N 1 0 303.406 2.299 50 0 DEAARO Cc1cnc(C)c(N2CCCO[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC001506397519 1061936969 /nfs/dbraw/zinc/93/69/69/1061936969.db2.gz DBSNBOLYLZMGJR-INIZCTEOSA-N 1 0 304.438 2.175 50 0 DEAARO C[C@@H](CN(C)C(=O)c1c[nH]c(=O)c(Cl)c1)C[NH+]1CCCC1 ZINC001506398683 1061938373 /nfs/dbraw/zinc/93/83/73/1061938373.db2.gz QGNQGJLAOASKDZ-NSHDSACASA-N 1 0 311.813 2.245 50 0 DEAARO CCn1ncc(C)c1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC001506398627 1061941526 /nfs/dbraw/zinc/94/15/26/1061941526.db2.gz NWCMXLJKLLSPIT-HNNXBMFYSA-N 1 0 300.406 2.323 50 0 DEAARO Cn1ccnc1CC[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC001506427603 1061974615 /nfs/dbraw/zinc/97/46/15/1061974615.db2.gz RCXOFIRGXYFDAD-SFHVURJKSA-N 1 0 313.445 2.278 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000821746042 1090609887 /nfs/dbraw/zinc/60/98/87/1090609887.db2.gz KNLRNYXUISBJEJ-OAHLLOKOSA-N 1 0 302.484 2.216 50 0 DEAARO CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)NCCCn1cccc1 ZINC000823056097 1090661617 /nfs/dbraw/zinc/66/16/17/1090661617.db2.gz JIEDIBOAQVUVOS-MRXNPFEDSA-N 1 0 306.454 2.252 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000823690358 1090695733 /nfs/dbraw/zinc/69/57/33/1090695733.db2.gz WIMGDOIUCRVIEH-NSHDSACASA-N 1 0 302.344 2.187 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000823778662 1090699110 /nfs/dbraw/zinc/69/91/10/1090699110.db2.gz 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/nfs/dbraw/zinc/28/16/48/185281648.db2.gz DJXOKVMRBHRQLX-HNNXBMFYSA-N 1 0 320.458 2.152 50 0 DEAARO CC(C)(C)N1C[C@H]([NH2+][C@@H](Cc2ccccn2)C2CC2)CC1=O ZINC000090178365 185284833 /nfs/dbraw/zinc/28/48/33/185284833.db2.gz GVMGGDUDBXZOKT-CVEARBPZSA-N 1 0 301.434 2.392 50 0 DEAARO OCCC1([NH2+]Cc2ccc(OC(F)F)cc2)CCOCC1 ZINC000095416745 185359135 /nfs/dbraw/zinc/35/91/35/185359135.db2.gz VDAWWRGZTNSMOV-UHFFFAOYSA-N 1 0 301.333 2.309 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)[C@@H](CC)C1 ZINC000083830482 539390187 /nfs/dbraw/zinc/39/01/87/539390187.db2.gz NCKXJDBNIRLZBN-AVGNSLFASA-N 1 0 308.426 2.320 50 0 DEAARO COC(=O)N1CCC([NH2+]Cc2c(C)nc3sccn23)CC1 ZINC000084051954 539392341 /nfs/dbraw/zinc/39/23/41/539392341.db2.gz VWWOCXOLNCRXJY-UHFFFAOYSA-N 1 0 308.407 2.025 50 0 DEAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2c[nH]nc2C(C)(C)C)cn1 ZINC000084241062 539393140 /nfs/dbraw/zinc/39/31/40/539393140.db2.gz LUCQWUSFOBWZJY-DOMZBBRYSA-N 1 0 317.437 2.308 50 0 DEAARO CN1CCC([NH2+]C[C@@H](O)c2cccc(OC(F)F)c2)CC1 ZINC000090910741 539418173 /nfs/dbraw/zinc/41/81/73/539418173.db2.gz DWZSFDWDLLTGLA-CQSZACIVSA-N 1 0 300.349 2.005 50 0 DEAARO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000090770273 539418469 /nfs/dbraw/zinc/41/84/69/539418469.db2.gz NDCXAYIESODPFQ-VXGBXAGGSA-N 1 0 317.476 2.051 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CCCn1c2ccccc2oc1=O)n1cccn1 ZINC000069950709 190842158 /nfs/dbraw/zinc/84/21/58/190842158.db2.gz GDVGFNILSOYGQG-UONOGXRCSA-N 1 0 314.389 2.420 50 0 DEAARO O=C(C[C@H]1COCC[NH2+]1)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000072146932 191052399 /nfs/dbraw/zinc/05/23/99/191052399.db2.gz YOXGYPNFFXCHBO-NSHDSACASA-N 1 0 306.259 2.162 50 0 DEAARO O=C(c1ccc[nH]1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072146335 191052750 /nfs/dbraw/zinc/05/27/50/191052750.db2.gz MITIIPLOKDSNLG-QGZVFWFLSA-N 1 0 309.413 2.330 50 0 DEAARO Cc1c2ccccc2sc1C(=O)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072148155 191054722 /nfs/dbraw/zinc/05/47/22/191054722.db2.gz SEFMBSCRZFXFSF-QGZVFWFLSA-N 1 0 318.442 2.444 50 0 DEAARO O=C([O-])COc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072159423 191061988 /nfs/dbraw/zinc/06/19/88/191061988.db2.gz VHSNIMCDCXXMMQ-UHFFFAOYSA-N 1 0 318.417 2.116 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072157622 191061076 /nfs/dbraw/zinc/06/10/76/191061076.db2.gz NXUFNRRQQCQJBN-OAHLLOKOSA-N 1 0 311.813 2.275 50 0 DEAARO CC(C)c1nccn1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC2)C1 ZINC000072253232 191086957 /nfs/dbraw/zinc/08/69/57/191086957.db2.gz WPCYYXWGSSMPHW-OAHLLOKOSA-N 1 0 304.438 2.264 50 0 DEAARO CC[NH+](CC)CCNC(=O)CNc1cc(Cl)ccc1OC ZINC000084771302 192466856 /nfs/dbraw/zinc/46/68/56/192466856.db2.gz BZJIEDZNJYMANA-UHFFFAOYSA-N 1 0 313.829 2.219 50 0 DEAARO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CCc2ccccc2)C1 ZINC000072290854 191108052 /nfs/dbraw/zinc/10/80/52/191108052.db2.gz GSHSNTLKQWCKCA-DOTOQJQBSA-N 1 0 319.449 2.028 50 0 DEAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421843 191157970 /nfs/dbraw/zinc/15/79/70/191157970.db2.gz OGOOFRSFJUGGDR-INIZCTEOSA-N 1 0 304.434 2.166 50 0 DEAARO COc1ccc(CN2CCC([NH+]3CCC(O)CC3)CC2)cc1F ZINC000072468045 191175314 /nfs/dbraw/zinc/17/53/14/191175314.db2.gz NPQZWSAACMKJJY-UHFFFAOYSA-N 1 0 322.424 2.255 50 0 DEAARO C[C@@H](C[NH+]1CCC(C)CC1)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000000808194 180834341 /nfs/dbraw/zinc/83/43/41/180834341.db2.gz RUYJYMWKKRHAKJ-YOEHRIQHSA-N 1 0 319.401 2.490 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc(OC)c1O ZINC000022078297 354052151 /nfs/dbraw/zinc/05/21/51/354052151.db2.gz OCSJIBDYOMTZCG-GXTWGEPZSA-N 1 0 306.406 2.078 50 0 DEAARO O=C1C[C@@H]([NH2+]Cc2cccs2)C(=O)N1c1ccc(F)cc1 ZINC000004476069 181112176 /nfs/dbraw/zinc/11/21/76/181112176.db2.gz BDDMNUHEJNZGEY-CYBMUJFWSA-N 1 0 304.346 2.309 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccs2)cc1 ZINC000004498197 181115842 /nfs/dbraw/zinc/11/58/42/181115842.db2.gz KYPZEBNTZIIZOZ-UHFFFAOYSA-N 1 0 310.444 2.125 50 0 DEAARO COc1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1OC ZINC000004498109 181115991 /nfs/dbraw/zinc/11/59/91/181115991.db2.gz DFTFUAZRCCGEOV-UHFFFAOYSA-N 1 0 320.414 2.285 50 0 DEAARO c1cc(C[NH2+]CCc2ccccc2)n(CCN2CCOCC2)c1 ZINC000004681165 181136267 /nfs/dbraw/zinc/13/62/67/181136267.db2.gz AIWIVCLUHZVOEV-UHFFFAOYSA-N 1 0 313.445 2.153 50 0 DEAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCOCC1 ZINC000004725510 181143085 /nfs/dbraw/zinc/14/30/85/181143085.db2.gz WUQIVJDEDRHKAZ-UHFFFAOYSA-N 1 0 322.836 2.411 50 0 DEAARO COCCNC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000066149196 354701895 /nfs/dbraw/zinc/70/18/95/354701895.db2.gz VRDZPRSJAFGSJT-UHFFFAOYSA-N 1 0 311.470 2.317 50 0 DEAARO CC(C)CC[N@@H+]1CCC[C@@H](c2nc(-c3cnccn3)n[nH]2)C1 ZINC000065286767 354681912 /nfs/dbraw/zinc/68/19/12/354681912.db2.gz BRZALDQQPAAHMO-CYBMUJFWSA-N 1 0 300.410 2.487 50 0 DEAARO COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccco1 ZINC000076094024 355125356 /nfs/dbraw/zinc/12/53/56/355125356.db2.gz DUXIANNVZZEZLR-HIFRSBDPSA-N 1 0 321.421 2.283 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cc(C(C)C)no2)C1 ZINC000076088430 355125483 /nfs/dbraw/zinc/12/54/83/355125483.db2.gz MHRYFYRCFBVFIE-ZDUSSCGKSA-N 1 0 308.426 2.424 50 0 DEAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)C(=O)Nc1cc(C)on1 ZINC000076046909 355121709 /nfs/dbraw/zinc/12/17/09/355121709.db2.gz RFOFVXLEVTUBPV-DGCLKSJQSA-N 1 0 317.393 2.194 50 0 DEAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)Nc1cc(C)on1 ZINC000076046911 355121769 /nfs/dbraw/zinc/12/17/69/355121769.db2.gz RFOFVXLEVTUBPV-YPMHNXCESA-N 1 0 317.393 2.194 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2OC)C1 ZINC000074759838 191356511 /nfs/dbraw/zinc/35/65/11/191356511.db2.gz XTBIUSYQFNWMRQ-XHSDSOJGSA-N 1 0 311.470 2.317 50 0 DEAARO C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CN1C1CC1 ZINC000079073666 355294991 /nfs/dbraw/zinc/29/49/91/355294991.db2.gz IPTGHYXYGVCAFM-BLLLJJGKSA-N 1 0 320.408 2.450 50 0 DEAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000005045709 181195807 /nfs/dbraw/zinc/19/58/07/181195807.db2.gz NYUKVIIHSXTKQW-QGZVFWFLSA-N 1 0 302.418 2.194 50 0 DEAARO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1CCCC2=O ZINC000096028015 355698003 /nfs/dbraw/zinc/69/80/03/355698003.db2.gz AZUNXHDTUMSLKC-VXGBXAGGSA-N 1 0 307.390 2.039 50 0 DEAARO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000097094645 355701512 /nfs/dbraw/zinc/70/15/12/355701512.db2.gz MLOHIPVVIBJHDW-QGZVFWFLSA-N 1 0 323.458 2.271 50 0 DEAARO C[C@H](NC(=O)c1cccc(C2OCCO2)c1)C(C)(C)C[NH+](C)C ZINC000097230279 355703034 /nfs/dbraw/zinc/70/30/34/355703034.db2.gz KMBIFQUWPUSEME-ZDUSSCGKSA-N 1 0 320.433 2.438 50 0 DEAARO Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCOCC[C@@H]2C)c1 ZINC000097373714 355703775 /nfs/dbraw/zinc/70/37/75/355703775.db2.gz BZIMWUQQHRLHMU-KBPBESRZSA-N 1 0 313.825 2.499 50 0 DEAARO O=C(NC1CC1)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000097371060 355704161 /nfs/dbraw/zinc/70/41/61/355704161.db2.gz BKWQCMDLZOTEQZ-HOTGVXAUSA-N 1 0 304.459 2.362 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)Cn1nc(C)cc1C ZINC000110585404 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322.836 2.411 50 0 DEAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020153936 182193333 /nfs/dbraw/zinc/19/33/33/182193333.db2.gz ZTQJUNGTMAEUJU-UHFFFAOYSA-N 1 0 310.829 2.099 50 0 DEAARO Cc1ccc(C(C)C)cc1OCCOCCN1CC[NH2+]CC1 ZINC000020272711 182202785 /nfs/dbraw/zinc/20/27/85/182202785.db2.gz CJQBKDMVGVNRMI-UHFFFAOYSA-N 1 0 306.450 2.419 50 0 DEAARO Cc1ccc(OCCOCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000022937513 182341938 /nfs/dbraw/zinc/34/19/38/182341938.db2.gz DZJMJYJEADBLNQ-UHFFFAOYSA-N 1 0 312.841 2.291 50 0 DEAARO C[N@@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO ZINC000023360272 182358168 /nfs/dbraw/zinc/35/81/68/182358168.db2.gz QBNLPTLCNOANHZ-ZDUSSCGKSA-N 1 0 302.340 2.204 50 0 DEAARO CCc1nn2c(nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2=O)s1 ZINC000023698323 182366628 /nfs/dbraw/zinc/36/66/28/182366628.db2.gz XUWDUTMKPCZGDX-GHMZBOCLSA-N 1 0 306.435 2.191 50 0 DEAARO Cc1nnsc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583781 183003484 /nfs/dbraw/zinc/00/34/84/183003484.db2.gz BJIMBWRGEJJWNP-UHFFFAOYSA-N 1 0 320.418 2.082 50 0 DEAARO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000038584795 183003500 /nfs/dbraw/zinc/00/35/00/183003500.db2.gz RCESQBMPTHSCPD-UHFFFAOYSA-N 1 0 314.476 2.042 50 0 DEAARO c1csc(C[N@@H+]2CCCN(c3ncnc4nc[nH]c43)CC2)c1 ZINC000040555464 183101551 /nfs/dbraw/zinc/10/15/51/183101551.db2.gz WEVNTDVMGBZJCL-UHFFFAOYSA-N 1 0 314.418 2.127 50 0 DEAARO CCOc1cc(/C=C\C(=O)N(C)C2CC[NH2+]CC2)ccc1OC ZINC000493014270 249196513 /nfs/dbraw/zinc/19/65/13/249196513.db2.gz HTTYYJKMORKMGR-VURMDHGXSA-N 1 0 318.417 2.318 50 0 DEAARO Cc1cc(F)ccc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000041630884 183212487 /nfs/dbraw/zinc/21/24/87/183212487.db2.gz ZZEFEUSGUTUISU-UHFFFAOYSA-N 1 0 314.426 2.287 50 0 DEAARO Cc1cc(NC(=O)[C@@H]([NH2+]C[C@H]2CCOC2)c2ccccc2)no1 ZINC000042183478 183238987 /nfs/dbraw/zinc/23/89/87/183238987.db2.gz JHMJESNJLWNDPM-CJNGLKHVSA-N 1 0 315.373 2.289 50 0 DEAARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3C)cc2c1OCO2 ZINC000042229435 183245026 /nfs/dbraw/zinc/24/50/26/183245026.db2.gz 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/nfs/dbraw/zinc/34/47/73/194344773.db2.gz YEEFDXAVUKNBLG-QAPCUYQASA-N 1 0 316.445 2.491 50 0 DEAARO Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]3CCC[N@H+]3C)ccc12 ZINC000058003911 184066114 /nfs/dbraw/zinc/06/61/14/184066114.db2.gz DZFTXTVUHNSFBV-ZDUSSCGKSA-N 1 0 315.373 2.317 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccccc2O)cn1 ZINC000058180431 184085544 /nfs/dbraw/zinc/08/55/44/184085544.db2.gz XURRASLDQYDNPP-UHFFFAOYSA-N 1 0 302.378 2.183 50 0 DEAARO CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000058203438 184087755 /nfs/dbraw/zinc/08/77/55/184087755.db2.gz GFYLGXXLJJWQRC-AWEZNQCLSA-N 1 0 305.422 2.331 50 0 DEAARO COc1cc(OC)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000058356589 184108111 /nfs/dbraw/zinc/10/81/11/184108111.db2.gz UVTFNELEJPNHRI-OAHLLOKOSA-N 1 0 318.417 2.404 50 0 DEAARO C[C@@H](CNc1ccc2nncn2n1)[N@@H+]1CCc2sccc2C1 ZINC000058392607 184111909 /nfs/dbraw/zinc/11/19/09/184111909.db2.gz UJOIBAQHSCRFOC-NSHDSACASA-N 1 0 314.418 2.045 50 0 DEAARO O=C(Nc1nccs1)[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000058378451 184110252 /nfs/dbraw/zinc/11/02/52/184110252.db2.gz XGROXEFZQOXRDK-ZDUSSCGKSA-N 1 0 316.430 2.431 50 0 DEAARO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058382371 184111180 /nfs/dbraw/zinc/11/11/80/184111180.db2.gz RBGWNKUPXQFMAR-INIZCTEOSA-N 1 0 322.474 2.328 50 0 DEAARO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000058264091 184095393 /nfs/dbraw/zinc/09/53/93/184095393.db2.gz MMINQTKVAOPQHH-QGZVFWFLSA-N 1 0 314.385 2.477 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc([C@@H](C)O)cc1)CN2 ZINC000058291767 184101201 /nfs/dbraw/zinc/10/12/01/184101201.db2.gz UNRJITIPAHRQKA-HIFRSBDPSA-N 1 0 300.406 2.076 50 0 DEAARO COc1c(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)nn1C ZINC000058313358 184104181 /nfs/dbraw/zinc/10/41/81/184104181.db2.gz BDXVLYXAQBVOOV-CXAGYDPISA-N 1 0 308.470 2.337 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000063159798 184274993 /nfs/dbraw/zinc/27/49/93/184274993.db2.gz AMFLSSWLFOVUBA-UHFFFAOYSA-N 1 0 316.854 2.269 50 0 DEAARO Cc1nc2c(c(N(C)CC[C@H]3CCCCO3)n1)CC[N@H+](C)CC2 ZINC000065410801 184339800 /nfs/dbraw/zinc/33/98/00/184339800.db2.gz SMZCPAXRVHMCQD-OAHLLOKOSA-N 1 0 318.465 2.211 50 0 DEAARO O[C@@]1(Cn2ccnc2-c2cccnc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000065411001 184340084 /nfs/dbraw/zinc/34/00/84/184340084.db2.gz UHMOIUWLFHNGJX-SJLPKXTDSA-N 1 0 312.417 2.325 50 0 DEAARO O=C(N1CC=CC1)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065490125 184353580 /nfs/dbraw/zinc/35/35/80/184353580.db2.gz WDUIFPRTUMVOJG-UHFFFAOYSA-N 1 0 306.793 2.239 50 0 DEAARO O=C(Cc1ccc(F)cc1)NCC1=CCC[N@@H+](CCCF)C1 ZINC000065397149 184335814 /nfs/dbraw/zinc/33/58/14/184335814.db2.gz CFTRUSPXXUEMIS-UHFFFAOYSA-N 1 0 308.372 2.476 50 0 DEAARO CCOc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000065539329 184363187 /nfs/dbraw/zinc/36/31/87/184363187.db2.gz FKXBHUDJJVSQEN-HNNXBMFYSA-N 1 0 320.433 2.312 50 0 DEAARO COc1cc(C[NH2+]Cc2c(C)nn(C)c2N(C)C)ccc1C ZINC000065565483 184366983 /nfs/dbraw/zinc/36/69/83/184366983.db2.gz WPGPIUCKZKZLSE-UHFFFAOYSA-N 1 0 302.422 2.401 50 0 DEAARO Cc1ccc(Cl)cc1N1CC[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000066246343 184398228 /nfs/dbraw/zinc/39/82/28/184398228.db2.gz ZXAMXYAXMKHGDI-ZDUSSCGKSA-N 1 0 306.841 2.414 50 0 DEAARO OC[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000157432320 197186774 /nfs/dbraw/zinc/18/67/74/197186774.db2.gz UHRPIHLCGKFQPH-JKSUJKDBSA-N 1 0 324.424 2.470 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)nc21 ZINC000156356427 197106827 /nfs/dbraw/zinc/10/68/27/197106827.db2.gz JURYWYYQMVVINL-KBPBESRZSA-N 1 0 314.433 2.390 50 0 DEAARO Cc1cc(C)n(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000504269212 257148451 /nfs/dbraw/zinc/14/84/51/257148451.db2.gz HSTGXFJSNGQSBN-SJORKVTESA-N 1 0 318.465 2.271 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237517756 257238573 /nfs/dbraw/zinc/23/85/73/257238573.db2.gz KFPDKPIRUCUXBJ-GJZGRUSLSA-N 1 0 319.449 2.465 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@@H](c2ccc(F)cc2)O1 ZINC000237524288 257238612 /nfs/dbraw/zinc/23/86/12/257238612.db2.gz SFKFHTZSYZLJRF-ZBEGNZNMSA-N 1 0 318.348 2.480 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000521394630 257241255 /nfs/dbraw/zinc/24/12/55/257241255.db2.gz FRXGHWLPJQCINJ-PLMOITTCSA-N 1 0 317.216 2.270 50 0 DEAARO O=[N+]1C2=C(CNN(c3ccccc3)C2)N(O)[C@H]2CCCC[C@H]21 ZINC000334157025 257262160 /nfs/dbraw/zinc/26/21/60/257262160.db2.gz LCYTXWBYSOSJFE-UONOGXRCSA-N 1 0 301.370 2.018 50 0 DEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000014102481 257268576 /nfs/dbraw/zinc/26/85/76/257268576.db2.gz FSPDCAVYVYDXPK-UHFFFAOYSA-N 1 0 320.458 2.080 50 0 DEAARO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000071837192 184862965 /nfs/dbraw/zinc/86/29/65/184862965.db2.gz NATHSEZHQJJRLG-GOSISDBHSA-N 1 0 324.428 2.399 50 0 DEAARO Cc1noc([C@H]2CCC[N@H+](CCC(=O)NC3CCCCC3)C2)n1 ZINC000069668768 184835424 /nfs/dbraw/zinc/83/54/24/184835424.db2.gz UHQVBKOKJIZUSA-AWEZNQCLSA-N 1 0 320.437 2.396 50 0 DEAARO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000071885770 184888245 /nfs/dbraw/zinc/88/82/45/184888245.db2.gz YPKDONFLSZKUDZ-QZTJIDSGSA-N 1 0 324.428 2.171 50 0 DEAARO O=C1NCCN1CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000377274633 133324634 /nfs/dbraw/zinc/32/46/34/133324634.db2.gz AYZKQEAMRBEJHW-CYBMUJFWSA-N 1 0 314.389 2.032 50 0 DEAARO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[C@H]1CCCO1 ZINC000346834215 146150238 /nfs/dbraw/zinc/15/02/38/146150238.db2.gz NWZAAPWDUKKEPO-IAOVAPTHSA-N 1 0 317.433 2.116 50 0 DEAARO CC(C)N(C(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000003605717 401724936 /nfs/dbraw/zinc/72/49/36/401724936.db2.gz UVGOUFVNJIAHIW-UHFFFAOYSA-N 1 0 317.418 2.175 50 0 DEAARO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386105 401739403 /nfs/dbraw/zinc/73/94/03/401739403.db2.gz YPLQOZKVKJJGQP-XQQFMLRXSA-N 1 0 303.406 2.090 50 0 DEAARO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000071859802 401688645 /nfs/dbraw/zinc/68/86/45/401688645.db2.gz HYZBKGNIVPGGPS-HNNXBMFYSA-N 1 0 315.421 2.491 50 0 DEAARO c1ccc2oc(C[NH2+]C[C@H]3CCCN3c3cccnn3)nc2c1 ZINC000071859857 401688721 /nfs/dbraw/zinc/68/87/21/401688721.db2.gz OZKNBQCMJLGMIM-CYBMUJFWSA-N 1 0 309.373 2.376 50 0 DEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000000182005 401688974 /nfs/dbraw/zinc/68/89/74/401688974.db2.gz DWKRKLKJLINCOT-KRWDZBQOSA-N 1 0 324.380 2.159 50 0 DEAARO Cc1csc2nc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)cc(=O)n12 ZINC000071882108 401691597 /nfs/dbraw/zinc/69/15/97/401691597.db2.gz LOGJGISSRKODDE-RYUDHWBXSA-N 1 0 317.418 2.000 50 0 DEAARO CCc1nc(CN2CCC[C@H]([NH2+]Cc3cnc(C)s3)C2)no1 ZINC000071882271 401691663 /nfs/dbraw/zinc/69/16/63/401691663.db2.gz KWJQRYVAVFIHKM-LBPRGKRZSA-N 1 0 321.450 2.151 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000071880526 401691680 /nfs/dbraw/zinc/69/16/80/401691680.db2.gz PYONVGDAGYNYTG-CHWSQXEVSA-N 1 0 308.344 2.041 50 0 DEAARO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCO)CC1 ZINC000071900490 401694500 /nfs/dbraw/zinc/69/45/00/401694500.db2.gz KTLMBAWFWFODKO-GFCCVEGCSA-N 1 0 313.239 2.120 50 0 DEAARO Cc1ccc(C[C@H](C)[N@H+](C)CCC(=O)N2CCOCC2)cc1 ZINC000071915730 401696847 /nfs/dbraw/zinc/69/68/47/401696847.db2.gz FKXBAQHPIWLAJF-INIZCTEOSA-N 1 0 304.434 2.107 50 0 DEAARO Cc1ncc(Cl)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000071916794 401697502 /nfs/dbraw/zinc/69/75/02/401697502.db2.gz INTLEBLZIURXOB-QWRGUYRKSA-N 1 0 310.829 2.289 50 0 DEAARO Clc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cn1 ZINC000072314104 401708969 /nfs/dbraw/zinc/70/89/69/401708969.db2.gz HJPHVPPQCQSOBB-UHFFFAOYSA-N 1 0 303.797 2.284 50 0 DEAARO O=C(NCCCn1ccnc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013679898 401802611 /nfs/dbraw/zinc/80/26/11/401802611.db2.gz BGMBXILHTUJHFK-UHFFFAOYSA-N 1 0 312.417 2.299 50 0 DEAARO CCCCOCCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000013719922 401803597 /nfs/dbraw/zinc/80/35/97/401803597.db2.gz JFVKVYSCHPIVOQ-UHFFFAOYSA-N 1 0 305.422 2.173 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2F)C1 ZINC000014121700 401807157 /nfs/dbraw/zinc/80/71/57/401807157.db2.gz WFDQZNRVBYCDGW-ZDUSSCGKSA-N 1 0 309.385 2.304 50 0 DEAARO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000075145891 401752107 /nfs/dbraw/zinc/75/21/07/401752107.db2.gz TXPLWKQCDNULCM-NFAWXSAZSA-N 1 0 308.447 2.173 50 0 DEAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+](C)C ZINC000008717435 401755669 /nfs/dbraw/zinc/75/56/69/401755669.db2.gz OFDZBCQNZJPNSI-UHFFFAOYSA-N 1 0 301.390 2.147 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009336151 401761563 /nfs/dbraw/zinc/76/15/63/401761563.db2.gz NBSLTLOAVFLELJ-HNNXBMFYSA-N 1 0 317.389 2.380 50 0 DEAARO CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000075721351 401767755 /nfs/dbraw/zinc/76/77/55/401767755.db2.gz GTQNJQUGLNCSLK-CYBMUJFWSA-N 1 0 308.447 2.245 50 0 DEAARO COCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012315387 401783199 /nfs/dbraw/zinc/78/31/99/401783199.db2.gz OVRNGGVFSXHDRT-KRWDZBQOSA-N 1 0 318.461 2.354 50 0 DEAARO C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2F)CC1 ZINC000012381178 401784667 /nfs/dbraw/zinc/78/46/67/401784667.db2.gz PQEDHQXVIOLEID-UHFFFAOYSA-N 1 0 312.360 2.333 50 0 DEAARO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCS(N)(=O)=O)o1 ZINC000076145282 401784985 /nfs/dbraw/zinc/78/49/85/401784985.db2.gz VUCASPNHNDVXCU-GXTWGEPZSA-N 1 0 314.451 2.294 50 0 DEAARO CCOc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)cc1OC ZINC000012504610 401787251 /nfs/dbraw/zinc/78/72/51/401787251.db2.gz IKAJVFJLZRKIQM-LCYFTJDESA-N 1 0 322.386 2.089 50 0 DEAARO COc1ccc(F)c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000012585140 401788944 /nfs/dbraw/zinc/78/89/44/401788944.db2.gz DQPBEBGLNZSHCY-AWEZNQCLSA-N 1 0 316.380 2.383 50 0 DEAARO CC(C)C[NH+]1CCC([C@H]2CCN(C(=O)c3ccnnc3)C2)CC1 ZINC000012704759 401790226 /nfs/dbraw/zinc/79/02/26/401790226.db2.gz HDNMRTIABRNGSZ-KRWDZBQOSA-N 1 0 316.449 2.307 50 0 DEAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cc[n+]([O-])cc1 ZINC000012762906 401790786 /nfs/dbraw/zinc/79/07/86/401790786.db2.gz HGBYHJKTXAGIRM-INIZCTEOSA-N 1 0 317.433 2.237 50 0 DEAARO Fc1ccccc1CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000020451482 401824371 /nfs/dbraw/zinc/82/43/71/401824371.db2.gz GJFNRQPZCZXTEX-UHFFFAOYSA-N 1 0 300.381 2.371 50 0 DEAARO CC(C)CC(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022579533 401827154 /nfs/dbraw/zinc/82/71/54/401827154.db2.gz KNHJDGFDAUHWIJ-QGZVFWFLSA-N 1 0 321.440 2.277 50 0 DEAARO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1C1CCCC1 ZINC000022926050 401827346 /nfs/dbraw/zinc/82/73/46/401827346.db2.gz RWTZHPDEJBVZFX-QGZVFWFLSA-N 1 0 304.434 2.203 50 0 DEAARO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)NC(=O)NC1CCCC1 ZINC000024743451 401830429 /nfs/dbraw/zinc/83/04/29/401830429.db2.gz FSMCCCBGKFXADK-ZDUSSCGKSA-N 1 0 318.421 2.023 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@H](c1ccsc1)[NH+](C)C ZINC000026720492 401841853 /nfs/dbraw/zinc/84/18/53/401841853.db2.gz FYSKDIZIDUGJMZ-GFCCVEGCSA-N 1 0 302.407 2.140 50 0 DEAARO C[C@H](NC(=O)CN1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000027119350 401843976 /nfs/dbraw/zinc/84/39/76/401843976.db2.gz PULQVNMCFJYUHL-AWEZNQCLSA-N 1 0 305.422 2.017 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000027090735 401844012 /nfs/dbraw/zinc/84/40/12/401844012.db2.gz KUJQEQAVMNFFAO-UHFFFAOYSA-N 1 0 302.374 2.275 50 0 in-vitro DEAARO Cc1noc(C)c1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677009 401846835 /nfs/dbraw/zinc/84/68/35/401846835.db2.gz DSFWTEZGKDFQBK-CYBMUJFWSA-N 1 0 307.419 2.315 50 0 DEAARO CCOCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000079358328 401872369 /nfs/dbraw/zinc/87/23/69/401872369.db2.gz XWDWXNZQJZEXRQ-CRAIPNDOSA-N 1 0 320.433 2.231 50 0 DEAARO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cccc(F)c2)cc1 ZINC000078602403 401857743 /nfs/dbraw/zinc/85/77/43/401857743.db2.gz IJONQBSQGKTBTK-UHFFFAOYSA-N 1 0 323.389 2.398 50 0 DEAARO CC[N@@H+](Cc1ccn(C)c(=O)c1)C[C@H]1COc2ccccc2O1 ZINC000042112785 401931328 /nfs/dbraw/zinc/93/13/28/401931328.db2.gz DKNYAPFKBDVRRQ-HNNXBMFYSA-N 1 0 314.385 2.047 50 0 DEAARO C[NH+](C)CCOc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000031814958 401874084 /nfs/dbraw/zinc/87/40/84/401874084.db2.gz SBWNSAZSXIRUNP-UHFFFAOYSA-N 1 0 317.418 2.158 50 0 DEAARO C[C@H]1C[C@@H](NC(=O)c2csnn2)CC[N@@H+]1Cc1ccccc1 ZINC000079553368 401876249 /nfs/dbraw/zinc/87/62/49/401876249.db2.gz AKCLFBJKTPVXLD-JSGCOSHPSA-N 1 0 316.430 2.321 50 0 DEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1csnn1 ZINC000032497959 401879092 /nfs/dbraw/zinc/87/90/92/401879092.db2.gz MVZYLPAYPIOWIR-OAHLLOKOSA-N 1 0 316.430 2.495 50 0 DEAARO Cc1nnc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000084291498 401904613 /nfs/dbraw/zinc/90/46/13/401904613.db2.gz OCZIYLDMXKMFRL-KBPBESRZSA-N 1 0 322.453 2.089 50 0 DEAARO CC[C@H](O)C[NH+]1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000084733522 401909901 /nfs/dbraw/zinc/90/99/01/401909901.db2.gz RCNJHLISVINYQS-KRWDZBQOSA-N 1 0 317.408 2.262 50 0 DEAARO CCn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000086254450 401922028 /nfs/dbraw/zinc/92/20/28/401922028.db2.gz UIFRKSWWGYBRLQ-UHFFFAOYSA-N 1 0 314.433 2.472 50 0 DEAARO COC[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044948532 401951587 /nfs/dbraw/zinc/95/15/87/401951587.db2.gz MGOTWXBJTNUDQI-KBPBESRZSA-N 1 0 309.410 2.141 50 0 DEAARO COC[C@H](O)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089703418 401958009 /nfs/dbraw/zinc/95/80/09/401958009.db2.gz WPJPAAVSXQFAEZ-PRHODGIISA-N 1 0 318.186 2.172 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000136487148 401968541 /nfs/dbraw/zinc/96/85/41/401968541.db2.gz YQEXKENXSRXKBA-DZGCQCFKSA-N 1 0 305.422 2.107 50 0 DEAARO C[C@H](NC(=O)[C@H](C)[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000089905495 401972483 /nfs/dbraw/zinc/97/24/83/401972483.db2.gz FAHXYRCMURWCTB-GJZGRUSLSA-N 1 0 304.434 2.489 50 0 DEAARO Cn1ccnc1[C@H](O)C1CC[NH+](CCc2cccs2)CC1 ZINC000089925601 401973552 /nfs/dbraw/zinc/97/35/52/401973552.db2.gz NAGDUHPLMHNIBL-OAHLLOKOSA-N 1 0 305.447 2.470 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000047140675 401979165 /nfs/dbraw/zinc/97/91/65/401979165.db2.gz YLTDZIKKTRJNPP-UHFFFAOYSA-N 1 0 316.380 2.227 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1sccc1C)CC2 ZINC000090396440 401982033 /nfs/dbraw/zinc/98/20/33/401982033.db2.gz NUHXXUQYLXGGAL-NWDGAFQWSA-N 1 0 306.435 2.460 50 0 DEAARO Cc1nn(C)c2ncc(C[NH2+]C[C@H]3Cc4ccccc4O3)cc12 ZINC000048353681 401998956 /nfs/dbraw/zinc/99/89/56/401998956.db2.gz YDERWLXBIVUKDX-OAHLLOKOSA-N 1 0 308.385 2.370 50 0 DEAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000090797316 401987668 /nfs/dbraw/zinc/98/76/68/401987668.db2.gz RQYVGAHFIUUQAZ-YCPHGPKFSA-N 1 0 322.474 2.414 50 0 DEAARO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799388 401987770 /nfs/dbraw/zinc/98/77/70/401987770.db2.gz URTDIOLJLSMWCN-VXGBXAGGSA-N 1 0 302.465 2.131 50 0 DEAARO COc1cccc(CNC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000047684101 401988015 /nfs/dbraw/zinc/98/80/15/401988015.db2.gz DPGCOFOJDUGENQ-UHFFFAOYSA-N 1 0 305.422 2.226 50 0 DEAARO CCCCCC[NH+]1CCC(Cn2cc(C[C@H](C)O)nn2)CC1 ZINC000048170827 401994966 /nfs/dbraw/zinc/99/49/66/401994966.db2.gz GTYLDMMILMWJCS-HNNXBMFYSA-N 1 0 308.470 2.494 50 0 DEAARO Cc1oc(-c2cccs2)nc1CC(=O)NCC1CC[NH2+]CC1 ZINC000120629252 401996380 /nfs/dbraw/zinc/99/63/80/401996380.db2.gz GAERKFAKJBMCBQ-UHFFFAOYSA-N 1 0 319.430 2.370 50 0 DEAARO [NH3+]CC1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000044512692 401944700 /nfs/dbraw/zinc/94/47/00/401944700.db2.gz GTLQSDDLTMLPJE-UHFFFAOYSA-N 1 0 315.186 2.399 50 0 DEAARO C/C=C(/C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000135556206 401944827 /nfs/dbraw/zinc/94/48/27/401944827.db2.gz WHKJAXQTZCHUJU-YQMISUSPSA-N 1 0 302.418 2.226 50 0 DEAARO O=C(NCc1ccccn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000044889776 401949099 /nfs/dbraw/zinc/94/90/99/401949099.db2.gz YRIPERNDCILWFO-OAHLLOKOSA-N 1 0 314.389 2.311 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000044892517 401949496 /nfs/dbraw/zinc/94/94/96/401949496.db2.gz PXCINJUHWUBHLK-CABCVRRESA-N 1 0 321.421 2.285 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000049580907 402019930 /nfs/dbraw/zinc/01/99/30/402019930.db2.gz ZCKZRHHXMFGZOS-GFCCVEGCSA-N 1 0 316.357 2.018 50 0 DEAARO O=C(NCCc1nccs1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095352405 402026247 /nfs/dbraw/zinc/02/62/47/402026247.db2.gz CXWWVZMNCRBPAR-ZDUSSCGKSA-N 1 0 319.430 2.307 50 0 DEAARO COc1ccc(CN2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000050274559 402026434 /nfs/dbraw/zinc/02/64/34/402026434.db2.gz MBWBLHXEPHHQSY-UHFFFAOYSA-N 1 0 322.449 2.246 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1Cn1ccc2ccc(C(=O)OC)cc2c1=O ZINC000095354267 402026903 /nfs/dbraw/zinc/02/69/03/402026903.db2.gz YNNBXSBGMJGQAL-OAHLLOKOSA-N 1 0 314.385 2.272 50 0 DEAARO CC[N@@H+]1CCC[C@H]1Cn1ccc2ccc(C(=O)OC)cc2c1=O ZINC000095354268 402026985 /nfs/dbraw/zinc/02/69/85/402026985.db2.gz YNNBXSBGMJGQAL-HNNXBMFYSA-N 1 0 314.385 2.272 50 0 DEAARO CNc1cc(C)[nH+]c(NC[C@@H]2COc3c(cccc3OC)C2)n1 ZINC000095354586 402027059 /nfs/dbraw/zinc/02/70/59/402027059.db2.gz WKUQWBWBJHTNNQ-GFCCVEGCSA-N 1 0 314.389 2.499 50 0 DEAARO Cc1cc(C)n(CC2(Cn3cc([C@H]4CCC[NH2+]C4)nn3)CC2)n1 ZINC000095355000 402027252 /nfs/dbraw/zinc/02/72/52/402027252.db2.gz DXMYBQDGQPNOLQ-HNNXBMFYSA-N 1 0 314.437 2.039 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(C(C)=O)cc1)C2 ZINC000095358445 402027827 /nfs/dbraw/zinc/02/78/27/402027827.db2.gz TVYHZOUXOHEBAI-PKOBYXMFSA-N 1 0 316.445 2.432 50 0 DEAARO Cc1noc2ncnc(N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)c12 ZINC000095359143 402027972 /nfs/dbraw/zinc/02/79/72/402027972.db2.gz YCCJARGNEKQHHG-HNNXBMFYSA-N 1 0 323.400 2.419 50 0 DEAARO CCc1[nH+]c(N)nc(N2CCC(Cn3cc(C)cn3)CC2)c1C ZINC000095357939 402028049 /nfs/dbraw/zinc/02/80/49/402028049.db2.gz CNESFEQKBCSYQU-UHFFFAOYSA-N 1 0 314.437 2.351 50 0 DEAARO CC[N@@H+]1CC[C@@H](Cn2ccc3c(ccc(OC)c3OC)c2=O)C1 ZINC000095370536 402029283 /nfs/dbraw/zinc/02/92/83/402029283.db2.gz RJKSMMZDSFUOJH-CYBMUJFWSA-N 1 0 316.401 2.361 50 0 DEAARO CC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000095372983 402029384 /nfs/dbraw/zinc/02/93/84/402029384.db2.gz GKCUETZYMWCABT-INIZCTEOSA-N 1 0 306.454 2.498 50 0 DEAARO CC[NH+]1CCC(CC(=O)N(CCO)Cc2ccc(F)cc2)CC1 ZINC000095377167 402029470 /nfs/dbraw/zinc/02/94/70/402029470.db2.gz DZUCJZZLFXWLAV-UHFFFAOYSA-N 1 0 322.424 2.269 50 0 DEAARO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095373763 402029596 /nfs/dbraw/zinc/02/95/96/402029596.db2.gz GPLXEMLGKWPXMF-JKSUJKDBSA-N 1 0 310.401 2.146 50 0 DEAARO O=C(NCC1(O)CCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000095399580 402031861 /nfs/dbraw/zinc/03/18/61/402031861.db2.gz XTANMNAUGQGUND-INIZCTEOSA-N 1 0 317.433 2.038 50 0 DEAARO CCc1nc2n(n1)CCC[C@@H]2NC1CC[NH+](CC(C)C)CC1 ZINC000095423690 402032642 /nfs/dbraw/zinc/03/26/42/402032642.db2.gz LNOKRIDPCLJFOS-HNNXBMFYSA-N 1 0 305.470 2.385 50 0 DEAARO CC[NH+](CC)C1CCN(C(=O)NCc2c(C)noc2C)CC1 ZINC000095955263 402036498 /nfs/dbraw/zinc/03/64/98/402036498.db2.gz CLKNFXKSMVSSER-UHFFFAOYSA-N 1 0 308.426 2.307 50 0 DEAARO COC(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1F ZINC000121450562 402036869 /nfs/dbraw/zinc/03/68/69/402036869.db2.gz SHWMSDBEVAJJRD-UHFFFAOYSA-N 1 0 323.368 2.220 50 0 DEAARO C[C@@H](CCc1ccco1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000095959542 402036907 /nfs/dbraw/zinc/03/69/07/402036907.db2.gz SWUCYFNSSZGGKC-AWEZNQCLSA-N 1 0 323.437 2.011 50 0 DEAARO O[C@@H]1CC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000095982442 402042306 /nfs/dbraw/zinc/04/23/06/402042306.db2.gz OVEFJYPBEJJFCL-CYBMUJFWSA-N 1 0 311.307 2.458 50 0 DEAARO Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000095985277 402042493 /nfs/dbraw/zinc/04/24/93/402042493.db2.gz KMDPSKNWXBNILT-OAHLLOKOSA-N 1 0 324.490 2.491 50 0 DEAARO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3cccn3)ccc2NC1=O ZINC000095985458 402042918 /nfs/dbraw/zinc/04/29/18/402042918.db2.gz NAQYSBSSCLVLEC-WFASDCNBSA-N 1 0 314.389 2.343 50 0 DEAARO C[C@@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000095991182 402044005 /nfs/dbraw/zinc/04/40/05/402044005.db2.gz AERQYQFZLHIGCA-GFCCVEGCSA-N 1 0 302.378 2.347 50 0 DEAARO Cc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)n1 ZINC000096011625 402046702 /nfs/dbraw/zinc/04/67/02/402046702.db2.gz QOMOUCCLBDSIAD-AWEZNQCLSA-N 1 0 306.406 2.113 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1C(F)(F)F ZINC000053030841 402050198 /nfs/dbraw/zinc/05/01/98/402050198.db2.gz QCVPPIFSHSPQRG-JTQLQIEISA-N 1 0 318.343 2.043 50 0 DEAARO COC(=O)CC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000053401044 402055368 /nfs/dbraw/zinc/05/53/68/402055368.db2.gz ONTYAOZLRVYQAR-UHFFFAOYSA-N 1 0 301.390 2.484 50 0 DEAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1COCc1ccccc1 ZINC000054965270 402073036 /nfs/dbraw/zinc/07/30/36/402073036.db2.gz JCGBMAPLKMXMKO-OAHLLOKOSA-N 1 0 306.406 2.412 50 0 DEAARO O=S(=O)(c1ccc2ccccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000055051848 402075010 /nfs/dbraw/zinc/07/50/10/402075010.db2.gz BIVYWNDJPDOSOK-MRXNPFEDSA-N 1 0 316.426 2.309 50 0 DEAARO COCC[NH+]1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1 ZINC000096402385 402077859 /nfs/dbraw/zinc/07/78/59/402077859.db2.gz CMWRSAXLDBQJCV-BUHFOSPRSA-N 1 0 320.408 2.456 50 0 DEAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 ZINC000055400701 402081180 /nfs/dbraw/zinc/08/11/80/402081180.db2.gz UGQVJTIKUXFGOB-QWHCGFSZSA-N 1 0 304.390 2.266 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cccc(Br)c1 ZINC000122612338 402086945 /nfs/dbraw/zinc/08/69/45/402086945.db2.gz DSVOUEJYKDNQRT-ZDUSSCGKSA-N 1 0 311.223 2.202 50 0 DEAARO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](O)c1ccccc1 ZINC000096449131 402089611 /nfs/dbraw/zinc/08/96/11/402089611.db2.gz WJRIWKRRJLTMCG-SJORKVTESA-N 1 0 304.434 2.489 50 0 DEAARO CSC[C@@H](C)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000096449724 402089877 /nfs/dbraw/zinc/08/98/77/402089877.db2.gz XLYHFZXKTCHTCU-ZIAGYGMSSA-N 1 0 314.495 2.135 50 0 DEAARO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000096449995 402089896 /nfs/dbraw/zinc/08/98/96/402089896.db2.gz DMZUFSZBMOQWBB-BONVTDFDSA-N 1 0 316.804 2.357 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 ZINC000152344665 402090769 /nfs/dbraw/zinc/09/07/69/402090769.db2.gz QOINPROEXUSJIM-JZLODUJNSA-N 1 0 323.396 2.233 50 0 DEAARO NC(=O)C1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCOCC1 ZINC000096491569 402096085 /nfs/dbraw/zinc/09/60/85/402096085.db2.gz CUHFCIJDZHNDJK-HNNXBMFYSA-N 1 0 306.381 2.075 50 0 DEAARO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000097033985 402101090 /nfs/dbraw/zinc/10/10/90/402101090.db2.gz NCXCCTORCQDBQV-GOSISDBHSA-N 1 0 313.401 2.472 50 0 DEAARO CCc1c(NC(=O)N2CCC[N@H+](C)CC2)cnn1CC(C)C ZINC000097052299 402103270 /nfs/dbraw/zinc/10/32/70/402103270.db2.gz MIXAZBRITKDENJ-UHFFFAOYSA-N 1 0 307.442 2.271 50 0 DEAARO Cc1cnc([C@H](C)CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)s1 ZINC000097110449 402108737 /nfs/dbraw/zinc/10/87/37/402108737.db2.gz XWDHKNXCABSOKY-RTXFEEFZSA-N 1 0 310.467 2.337 50 0 DEAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1cccc(-c2ccccc2)c1 ZINC000097117072 402109904 /nfs/dbraw/zinc/10/99/04/402109904.db2.gz VWNCKRKPFKLRQW-SFHVURJKSA-N 1 0 310.397 2.348 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)CC2 ZINC000097199376 402115151 /nfs/dbraw/zinc/11/51/51/402115151.db2.gz KDVHCLSTWRFQDI-LLVKDONJSA-N 1 0 305.451 2.445 50 0 DEAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000097199513 402116189 /nfs/dbraw/zinc/11/61/89/402116189.db2.gz ZFMUEJDXKKWTQS-HNNXBMFYSA-N 1 0 322.416 2.131 50 0 DEAARO Cc1cccc(C[NH+]2CCN(Cc3cnc4nccn4c3)CC2)c1 ZINC000063883932 402117140 /nfs/dbraw/zinc/11/71/40/402117140.db2.gz RVPGYPCMTIVSDC-UHFFFAOYSA-N 1 0 321.428 2.356 50 0 DEAARO Cc1ccc(Cl)c(NC(=O)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000096132093 402061652 /nfs/dbraw/zinc/06/16/52/402061652.db2.gz OSIOLHOBUPVNOL-LBPRGKRZSA-N 1 0 311.813 2.227 50 0 DEAARO C(c1noc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1)N1CCOCC1 ZINC000096150069 402062785 /nfs/dbraw/zinc/06/27/85/402062785.db2.gz CEBMULKSDMNAEH-AWEZNQCLSA-N 1 0 320.437 2.024 50 0 DEAARO CCc1ccc(C[NH+]2CCN(c3ccnc4nncn43)CC2)cc1 ZINC000097492567 402126199 /nfs/dbraw/zinc/12/61/99/402126199.db2.gz DUANHHNQONVOKX-UHFFFAOYSA-N 1 0 322.416 2.009 50 0 DEAARO CN1CC[N@H+](C)[C@H](CC(=O)NCc2ccc3sccc3c2)C1 ZINC000097499550 402126260 /nfs/dbraw/zinc/12/62/60/402126260.db2.gz CBFPYLVUPNFGOP-OAHLLOKOSA-N 1 0 317.458 2.153 50 0 DEAARO O=C(c1ccc(-c2ncc[nH]2)s1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000097679860 402130157 /nfs/dbraw/zinc/13/01/57/402130157.db2.gz XYISCYWSLRFFQW-MNOVXSKESA-N 1 0 302.403 2.105 50 0 DEAARO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@H]2C[NH2+]C3)cc1 ZINC000097716914 402131197 /nfs/dbraw/zinc/13/11/97/402131197.db2.gz QJGNJFWYJSTPCP-WBMJQRKESA-N 1 0 300.381 2.400 50 0 DEAARO O[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000097377852 402123238 /nfs/dbraw/zinc/12/32/38/402123238.db2.gz LMYUDBMDBBUSOU-CHWSQXEVSA-N 1 0 312.207 2.387 50 0 DEAARO O[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000097377851 402123608 /nfs/dbraw/zinc/12/36/08/402123608.db2.gz LMYUDBMDBBUSOU-STQMWFEESA-N 1 0 312.207 2.387 50 0 DEAARO COc1ccccc1C[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000066894671 402145866 /nfs/dbraw/zinc/14/58/66/402145866.db2.gz KMULSCCOBFZWLG-CQSZACIVSA-N 1 0 302.418 2.228 50 0 DEAARO C=Cn1cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C(C)C)C3)cn1 ZINC000067935447 402179303 /nfs/dbraw/zinc/17/93/03/402179303.db2.gz GKQYBDCUKLQKEY-SFHVURJKSA-N 1 0 316.449 2.454 50 0 DEAARO C[C@@H]1CN(C(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CCO1 ZINC000068333620 402193860 /nfs/dbraw/zinc/19/38/60/402193860.db2.gz QXCKHWCRNXYOPQ-RDTXWAMCSA-N 1 0 314.429 2.386 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)ccc2F)C1 ZINC000068525770 402200849 /nfs/dbraw/zinc/20/08/49/402200849.db2.gz ABZVXFKOANHNPZ-ZDUSSCGKSA-N 1 0 309.385 2.224 50 0 DEAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1[nH]ncc1Cl ZINC000067446841 402159960 /nfs/dbraw/zinc/15/99/60/402159960.db2.gz YUIDDCAYXVVVKK-LLVKDONJSA-N 1 0 322.796 2.298 50 0 DEAARO COc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)C[NH3+] ZINC000067559905 402162672 /nfs/dbraw/zinc/16/26/72/402162672.db2.gz YJDDGEMZJVCVBJ-GFCCVEGCSA-N 1 0 315.373 2.094 50 0 DEAARO CCC(F)(F)C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000067674860 402166957 /nfs/dbraw/zinc/16/69/57/402166957.db2.gz WRLHZDXTLCYTQM-CYBMUJFWSA-N 1 0 311.376 2.373 50 0 DEAARO Cc1cc(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000067714062 402169660 /nfs/dbraw/zinc/16/96/60/402169660.db2.gz LODLBGHIHKEEAJ-INIZCTEOSA-N 1 0 313.401 2.164 50 0 DEAARO C=Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)C=C(C)C)C2)cn1 ZINC000067785312 402172264 /nfs/dbraw/zinc/17/22/64/402172264.db2.gz YYAOVIWOPAPXJR-OAHLLOKOSA-N 1 0 302.422 2.278 50 0 DEAARO Cn1nc(CN2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c2c1cccc2Cl ZINC000102771550 402172316 /nfs/dbraw/zinc/17/23/16/402172316.db2.gz YABFELVLEWYMLP-XYYAHUGASA-N 1 0 318.852 2.466 50 0 DEAARO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@H]1CCOC1 ZINC000107048682 402225258 /nfs/dbraw/zinc/22/52/58/402225258.db2.gz KOENWAFJYQYRER-HUUCEWRRSA-N 1 0 310.463 2.090 50 0 DEAARO NC(=O)[C@@H](c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069491385 402226353 /nfs/dbraw/zinc/22/63/53/402226353.db2.gz WGVVZHBIPNZFBA-QGZVFWFLSA-N 1 0 301.434 2.021 50 0 DEAARO CCc1noc(CCCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000069512448 402228032 /nfs/dbraw/zinc/22/80/32/402228032.db2.gz PJLJLLKDXAYSKT-UONOGXRCSA-N 1 0 320.437 2.040 50 0 DEAARO C[C@@H](O)C[NH+]1CCN(Cc2csc(Br)c2)CC1 ZINC000069652523 402236206 /nfs/dbraw/zinc/23/62/06/402236206.db2.gz BEZSLHKYOAWZFR-SNVBAGLBSA-N 1 0 319.268 2.009 50 0 DEAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1nc3ccccc3o1)CC2 ZINC000069665017 402237737 /nfs/dbraw/zinc/23/77/37/402237737.db2.gz ZFPFBIRDFLXTSJ-GFCCVEGCSA-N 1 0 311.389 2.334 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)NCCc2cccs2)c1 ZINC000069709390 402240421 /nfs/dbraw/zinc/24/04/21/402240421.db2.gz WWGZJFCYYBRJOM-KGLIPLIRSA-N 1 0 320.462 2.151 50 0 DEAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069814763 402245286 /nfs/dbraw/zinc/24/52/86/402245286.db2.gz OEBBOPMILCDQHA-CJNGLKHVSA-N 1 0 308.397 2.019 50 0 DEAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000069814761 402245370 /nfs/dbraw/zinc/24/53/70/402245370.db2.gz OEBBOPMILCDQHA-BBRMVZONSA-N 1 0 308.397 2.019 50 0 DEAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000069815207 402246118 /nfs/dbraw/zinc/24/61/18/402246118.db2.gz DIHSGNHNBYEROC-CVEARBPZSA-N 1 0 302.422 2.150 50 0 DEAARO O[C@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000069843230 402246712 /nfs/dbraw/zinc/24/67/12/402246712.db2.gz OKHJMLGXRAAVNG-BLLLJJGKSA-N 1 0 322.359 2.002 50 0 DEAARO CS[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000069893569 402249850 /nfs/dbraw/zinc/24/98/50/402249850.db2.gz FYLABFSQSMEYMC-CYBMUJFWSA-N 1 0 322.474 2.011 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC000069927968 402251612 /nfs/dbraw/zinc/25/16/12/402251612.db2.gz WYBVIKLENPKYCR-MRXNPFEDSA-N 1 0 322.416 2.390 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000069969761 402253241 /nfs/dbraw/zinc/25/32/41/402253241.db2.gz PKSFDUBGQXVZPF-SNVBAGLBSA-N 1 0 319.268 2.273 50 0 DEAARO Cc1cnn(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000070004933 402254148 /nfs/dbraw/zinc/25/41/48/402254148.db2.gz AAUWGWMCHDQKGP-UHFFFAOYSA-N 1 0 307.781 2.406 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000070076463 402256557 /nfs/dbraw/zinc/25/65/57/402256557.db2.gz GCTONJNMRQSOTI-GHMZBOCLSA-N 1 0 311.223 2.200 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000070076461 402256587 /nfs/dbraw/zinc/25/65/87/402256587.db2.gz GCTONJNMRQSOTI-PHIMTYICSA-N 1 0 311.223 2.200 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000070173154 402257989 /nfs/dbraw/zinc/25/79/89/402257989.db2.gz XSJGOVNXORKRRQ-VHSXEESVSA-N 1 0 312.211 2.044 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000070173462 402258275 /nfs/dbraw/zinc/25/82/75/402258275.db2.gz CMISFPJTAQWMJQ-ZJUUUORDSA-N 1 0 320.817 2.227 50 0 DEAARO C[C@@]12C[NH2+]C[C@@](c3ccccc3)(CN(Cc3ccccc3)C1)[C@H]2O ZINC000070666223 402262547 /nfs/dbraw/zinc/26/25/47/402262547.db2.gz JWSPFVDKCPXUQZ-HBMCJLEFSA-N 1 0 322.452 2.411 50 0 DEAARO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)C(=O)NC(N)=O ZINC000068951667 402210461 /nfs/dbraw/zinc/21/04/61/402210461.db2.gz PVECQKMXFWBOCP-LBPRGKRZSA-N 1 0 321.446 2.265 50 0 DEAARO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000225570169 402321586 /nfs/dbraw/zinc/32/15/86/402321586.db2.gz HIDCYNSCVWFGTE-QILLFSRXSA-N 1 0 323.433 2.245 50 0 DEAARO CCOC(=O)C1(NC(=O)[C@H]2CCCCC2(C)C)CC[NH+](C)CC1 ZINC000225721993 402322458 /nfs/dbraw/zinc/32/24/58/402322458.db2.gz SHIGREDHRWZFPO-CQSZACIVSA-N 1 0 324.465 2.347 50 0 DEAARO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000071397526 402273629 /nfs/dbraw/zinc/27/36/29/402273629.db2.gz OQSQMIKYXMVZSO-SECBINFHSA-N 1 0 309.218 2.024 50 0 DEAARO O=C(CC1CCCC1)NCC[NH2+]Cc1cccc2c1OCCO2 ZINC000071792608 402277348 /nfs/dbraw/zinc/27/73/48/402277348.db2.gz SSBRQWNZTMWBFY-UHFFFAOYSA-N 1 0 318.417 2.244 50 0 DEAARO Cc1nn(C)c(Cl)c1C[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000071810457 402280723 /nfs/dbraw/zinc/28/07/23/402280723.db2.gz LYPIIVYPGWWHDR-UHFFFAOYSA-N 1 0 323.780 2.279 50 0 DEAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC000215214230 402282406 /nfs/dbraw/zinc/28/24/06/402282406.db2.gz HOMRKKVUAZELOY-MRXNPFEDSA-N 1 0 323.404 2.127 50 0 DEAARO C[C@H]1C[N@@H+](C2CCN(c3ncnc4ccccc43)CC2)CCO1 ZINC000071821720 402282738 /nfs/dbraw/zinc/28/27/38/402282738.db2.gz OUINPDJAZKBBDB-AWEZNQCLSA-N 1 0 312.417 2.319 50 0 DEAARO C[NH+](C)C1(CNC(=O)[C@H](O)c2cccc(F)c2)CCCCC1 ZINC000216521438 402289244 /nfs/dbraw/zinc/28/92/44/402289244.db2.gz SHCCXNNRJAIDPJ-OAHLLOKOSA-N 1 0 308.397 2.240 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(c2ccnc(-c3ccccc3)n2)C[C@H]1C ZINC000071859503 402289671 /nfs/dbraw/zinc/28/96/71/402289671.db2.gz CGQMUTQSLZOPMH-HUUCEWRRSA-N 1 0 312.417 2.035 50 0 DEAARO CC(C)c1cc(CN(C)c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)on1 ZINC000218945866 402297075 /nfs/dbraw/zinc/29/70/75/402297075.db2.gz JYIRTGWVEJOOBI-HAQNSBGRSA-N 1 0 301.394 2.429 50 0 DEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000222275279 402306921 /nfs/dbraw/zinc/30/69/21/402306921.db2.gz QRLJUXYKKSUMLY-STQMWFEESA-N 1 0 316.323 2.154 50 0 DEAARO O[C@H]1C[C@H]([C@H](Cc2ccccn2)[NH2+]C2CSCCSC2)C1 ZINC000223659612 402312061 /nfs/dbraw/zinc/31/20/61/402312061.db2.gz UXWAWZLHKFGGQD-MAZHCROVSA-N 1 0 324.515 2.202 50 0 DEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC000229405513 402343381 /nfs/dbraw/zinc/34/33/81/402343381.db2.gz XFEVZUCYLKSXKN-XJKSGUPXSA-N 1 0 311.385 2.353 50 0 DEAARO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000229804204 402344585 /nfs/dbraw/zinc/34/45/85/402344585.db2.gz WSSLODVWLBAHSB-BPQIPLTHSA-N 1 0 314.429 2.495 50 0 DEAARO CC(C)COC(=O)N1CCC([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000230306172 402350291 /nfs/dbraw/zinc/35/02/91/402350291.db2.gz PVYHWOZIXTVYJM-CYBMUJFWSA-N 1 0 308.426 2.328 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000177256784 402386306 /nfs/dbraw/zinc/38/63/06/402386306.db2.gz CMAXOQKUNZLWQA-BEFAXECRSA-N 1 0 311.429 2.387 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227187794 402331414 /nfs/dbraw/zinc/33/14/14/402331414.db2.gz VYRWZECCUWOBFJ-NWDGAFQWSA-N 1 0 316.854 2.396 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000228216514 402336626 /nfs/dbraw/zinc/33/66/26/402336626.db2.gz RVLIRMSYIYQULH-CFVMTHIKSA-N 1 0 308.809 2.367 50 0 DEAARO Nc1nc(NCCCOC2CCCC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244787528 402449797 /nfs/dbraw/zinc/44/97/97/402449797.db2.gz PYPKCWBBWHLARB-TXEJJXNPSA-N 1 0 305.426 2.025 50 0 DEAARO C[C@H]1CN(C(=O)c2csc(CN)n2)c2ccc(F)cc2O1 ZINC000237529440 402411390 /nfs/dbraw/zinc/41/13/90/402411390.db2.gz RXWLNBMVFYAQLE-QMMMGPOBSA-N 1 0 307.350 2.169 50 0 DEAARO Nc1nc(NCc2ccc3ccccc3n2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244811435 402450149 /nfs/dbraw/zinc/45/01/49/402450149.db2.gz SCPZVEULZHUZIK-XBXGTLAGSA-N 1 0 321.384 2.457 50 0 DEAARO Cc1cccc(NC(=O)CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1C ZINC000244899840 402451570 /nfs/dbraw/zinc/45/15/70/402451570.db2.gz ZRIWNZPDNBPPDM-JKSUJKDBSA-N 1 0 301.434 2.410 50 0 DEAARO COc1ccc(CC[N@H+](C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000241466005 402443416 /nfs/dbraw/zinc/44/34/16/402443416.db2.gz NTURHXBTGOFGLU-JKSUJKDBSA-N 1 0 311.447 2.135 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000169781763 402502207 /nfs/dbraw/zinc/50/22/07/402502207.db2.gz XIMYZTWLZDIEOX-OAHLLOKOSA-N 1 0 308.447 2.005 50 0 DEAARO CNC(=O)CN1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000170087083 402503079 /nfs/dbraw/zinc/50/30/79/402503079.db2.gz OVZTUSKQYYPOPU-ZDUSSCGKSA-N 1 0 323.868 2.244 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000170934270 402543098 /nfs/dbraw/zinc/54/30/98/402543098.db2.gz KZHAINZFXLMNGW-CZUORRHYSA-N 1 0 315.417 2.278 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@H]1Cn1cncn1)c1ccc(F)c(F)c1 ZINC000247765956 402575735 /nfs/dbraw/zinc/57/57/35/402575735.db2.gz KOBCCIXLWGCROF-BBRMVZONSA-N 1 0 322.359 2.144 50 0 DEAARO C[C@@H](C(=O)NCC(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178686826 402526490 /nfs/dbraw/zinc/52/64/90/402526490.db2.gz CFQUJFXTVUSWNH-LBPRGKRZSA-N 1 0 321.387 2.004 50 0 DEAARO CN(C(=O)c1cn(C)nc1-c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179124296 402574098 /nfs/dbraw/zinc/57/40/98/402574098.db2.gz KHCSVPJJIDUTCA-LLVKDONJSA-N 1 0 318.808 2.174 50 0 DEAARO C[C@@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@@H]1C[NH3+] ZINC000179221957 402582255 /nfs/dbraw/zinc/58/22/55/402582255.db2.gz UZGPOASOFZWOLE-RHSMWYFYSA-N 1 0 312.417 2.001 50 0 DEAARO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000248805450 402608722 /nfs/dbraw/zinc/60/87/22/402608722.db2.gz BJMPCMUFCGRQKS-PVAVHDDUSA-N 1 0 300.402 2.441 50 0 DEAARO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000252536300 402658407 /nfs/dbraw/zinc/65/84/07/402658407.db2.gz ICDFJUZQUFHAHU-RDJZCZTQSA-N 1 0 324.421 2.426 50 0 DEAARO CC[C@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000252507499 402657233 /nfs/dbraw/zinc/65/72/33/402657233.db2.gz WNGJHOYPTWMKGJ-LBPRGKRZSA-N 1 0 320.202 2.153 50 0 DEAARO COc1c2c(c(Br)c3c1C[N@H+](C)CC3)OCO2 ZINC000253410153 402664077 /nfs/dbraw/zinc/66/40/77/402664077.db2.gz MWWCCGFFDRZDMA-UHFFFAOYSA-N 1 0 300.152 2.174 50 0 biogenic DEAARO CN(C)c1cc[nH+]cc1CNc1cn(Cc2ccccc2)nn1 ZINC000253429904 402666361 /nfs/dbraw/zinc/66/63/61/402666361.db2.gz OTVRAQUKDUSKAG-UHFFFAOYSA-N 1 0 308.389 2.400 50 0 DEAARO Cc1nc([C@H]2CCC[N@H+](Cc3[nH]cc(C)c(=O)c3C)C2)no1 ZINC000253537159 402667932 /nfs/dbraw/zinc/66/79/32/402667932.db2.gz ZXQUNLWTOSQYEQ-ZDUSSCGKSA-N 1 0 302.378 2.475 50 0 DEAARO O=C1CC[NH2+]CCC[C@@H](c2nc(-c3ccccc3)no2)CCN1 ZINC000257181880 402700521 /nfs/dbraw/zinc/70/05/21/402700521.db2.gz OBNLRTPRAQENLE-CQSZACIVSA-N 1 0 314.389 2.100 50 0 DEAARO CC[C@@]1(O)CCOC2(CC[NH+](Cc3cccc(OC)n3)CC2)C1 ZINC000257176050 402700547 /nfs/dbraw/zinc/70/05/47/402700547.db2.gz ROYYIIGNHLFRTG-QGZVFWFLSA-N 1 0 320.433 2.376 50 0 DEAARO COCC(=O)N[C@@H]1CCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000257178057 402700743 /nfs/dbraw/zinc/70/07/43/402700743.db2.gz BNLFXLPIEYFQSM-OAHLLOKOSA-N 1 0 306.406 2.095 50 0 DEAARO CCCn1c(C)cnc1C1CN(S(=O)(=O)c2ccccc2)C1 ZINC000257185528 402701161 /nfs/dbraw/zinc/70/11/61/402701161.db2.gz JOLOQPQQBJIEBO-UHFFFAOYSA-N 1 0 319.430 2.390 50 0 DEAARO C[C@@H]1C[C@H](NC(=O)NOCc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000183707864 402790515 /nfs/dbraw/zinc/79/05/15/402790515.db2.gz NQDCTUFIEAHUDT-RISCZKNCSA-N 1 0 307.369 2.182 50 0 DEAARO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)C1CC1 ZINC000195531564 402850632 /nfs/dbraw/zinc/85/06/32/402850632.db2.gz KNLZAKPDHVNUHH-DLBZAZTESA-N 1 0 302.418 2.195 50 0 DEAARO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000195548796 402850793 /nfs/dbraw/zinc/85/07/93/402850793.db2.gz AVWATIYMJLEOGU-HUUCEWRRSA-N 1 0 318.417 2.124 50 0 DEAARO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000195538916 402850814 /nfs/dbraw/zinc/85/08/14/402850814.db2.gz VIVKLCJGZIAIQL-UHFFFAOYSA-N 1 0 310.825 2.225 50 0 DEAARO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccccc1F ZINC000195553559 402850870 /nfs/dbraw/zinc/85/08/70/402850870.db2.gz SZYVYLSRIOGDGH-QGZVFWFLSA-N 1 0 321.440 2.419 50 0 DEAARO COc1ccc2[nH]c(CNC(=O)[C@H]3CCCCC[N@@H+]3C)nc2c1 ZINC000299759635 403566768 /nfs/dbraw/zinc/56/67/68/403566768.db2.gz MIBNKYJJCICNSB-OAHLLOKOSA-N 1 0 316.405 2.062 50 0 DEAARO CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](C[NH3+])O3)cc1 ZINC000299776891 403572188 /nfs/dbraw/zinc/57/21/88/403572188.db2.gz HURIURKXLARIOU-CQSZACIVSA-N 1 0 303.383 2.019 50 0 DEAARO CCOc1ccccc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299786470 403574389 /nfs/dbraw/zinc/57/43/89/403574389.db2.gz LXKUOOYWAIFNNW-DOTOQJQBSA-N 1 0 314.389 2.023 50 0 DEAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)Cc2ccsc2)c1 ZINC000299789930 403576122 /nfs/dbraw/zinc/57/61/22/403576122.db2.gz AQVGQRKPFLGUIO-UHFFFAOYSA-N 1 0 304.371 2.175 50 0 DEAARO Cc1ccc(OCC[NH3+])c(C(=O)N(CCO)C2CCCCC2)c1 ZINC000299803006 403579504 /nfs/dbraw/zinc/57/95/04/403579504.db2.gz UBJMHUHHJVVWOP-UHFFFAOYSA-N 1 0 320.433 2.100 50 0 DEAARO COc1c(C)cnc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1C ZINC000363367261 404156240 /nfs/dbraw/zinc/15/62/40/404156240.db2.gz QBEQYPITDQVSCP-UHFFFAOYSA-N 1 0 301.394 2.205 50 0 DEAARO NS(=O)(=O)c1ccc(-c2csc(C3([NH3+])CCCC3)n2)cc1 ZINC000434664055 404921541 /nfs/dbraw/zinc/92/15/41/404921541.db2.gz SEWKAHFBQONXDP-UHFFFAOYSA-N 1 0 323.443 2.186 50 0 DEAARO Cc1ncccc1CSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000426409200 405358245 /nfs/dbraw/zinc/35/82/45/405358245.db2.gz WKRDGOCGVZQJSL-LBPRGKRZSA-N 1 0 303.435 2.278 50 0 DEAARO COc1cccc(-n2c(C[NH3+])nnc2SC[C@H]2CCCO2)c1 ZINC000426497361 405364727 /nfs/dbraw/zinc/36/47/27/405364727.db2.gz PGDPYAPVSMTYNF-CYBMUJFWSA-N 1 0 320.418 2.006 50 0 DEAARO O=C(NCCc1cc[nH]n1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426581051 405369901 /nfs/dbraw/zinc/36/99/01/405369901.db2.gz WKGNXQYTUOUKSW-UHFFFAOYSA-N 1 0 304.438 2.257 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2cc(OC)ccc2C1 ZINC000426628101 405372349 /nfs/dbraw/zinc/37/23/49/405372349.db2.gz BDAATACWJVTFFH-INIZCTEOSA-N 1 0 317.433 2.247 50 0 DEAARO [NH3+]Cc1nnc(SCC[C@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426690506 405374687 /nfs/dbraw/zinc/37/46/87/405374687.db2.gz CYDCBNZURKCSBZ-LLVKDONJSA-N 1 0 322.409 2.384 50 0 DEAARO Cc1nc2cc(CNC(=O)[C@@H](C)[NH+]3CCCCC3)ccc2[nH]1 ZINC000426739017 405376654 /nfs/dbraw/zinc/37/66/54/405376654.db2.gz HVZYKABGHZJXMQ-GFCCVEGCSA-N 1 0 300.406 2.362 50 0 DEAARO C[C@@H](C[N@H+](CCO)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000492129153 405492337 /nfs/dbraw/zinc/49/23/37/405492337.db2.gz DBZDMZIFHJIJJK-AWEZNQCLSA-N 1 0 308.422 2.394 50 0 DEAARO COc1cc(C[C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)ccn1 ZINC000583651336 405780384 /nfs/dbraw/zinc/78/03/84/405780384.db2.gz LEBXUQSGRCFPFV-CQSZACIVSA-N 1 0 323.400 2.392 50 0 DEAARO COCC[C@@H](C)[NH2+]Cc1snc(OC)c1Br ZINC000585118572 405871011 /nfs/dbraw/zinc/87/10/11/405871011.db2.gz UNWMLXOKWGOARE-SSDOTTSWSA-N 1 0 309.229 2.429 50 0 DEAARO CC(C)Oc1ccc(CCNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000585121506 405872115 /nfs/dbraw/zinc/87/21/15/405872115.db2.gz RCFMZPZDWWVMNX-UHFFFAOYSA-N 1 0 304.434 2.474 50 0 DEAARO CO[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)[C@H]1CCOC1 ZINC000585117761 405869549 /nfs/dbraw/zinc/86/95/49/405869549.db2.gz VYKMOWRMNBZHJQ-SPUZQDLCSA-N 1 0 306.450 2.319 50 0 DEAARO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCc2nc(COC)nn2C1 ZINC000527677027 406713805 /nfs/dbraw/zinc/71/38/05/406713805.db2.gz XRQJJCCPZFZVKF-LLVKDONJSA-N 1 0 316.396 2.400 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C ZINC000133194383 196320250 /nfs/dbraw/zinc/32/02/50/196320250.db2.gz XSKPOLYFFXYZAR-LBPRGKRZSA-N 1 0 302.827 2.021 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)C[C@H]1C ZINC000246307425 225226033 /nfs/dbraw/zinc/22/60/33/225226033.db2.gz AECWMQUEOQLVCI-KGLIPLIRSA-N 1 0 317.408 2.261 50 0 DEAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)NC(=O)NCc1ccco1 ZINC000252444084 225246307 /nfs/dbraw/zinc/24/63/07/225246307.db2.gz DEESLUCJZOYXNB-KGLIPLIRSA-N 1 0 319.405 2.118 50 0 DEAARO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1CCOc1ccc(F)cc1 ZINC000252674783 225249035 /nfs/dbraw/zinc/24/90/35/225249035.db2.gz SNLIRKCFALWXBJ-SJORKVTESA-N 1 0 322.424 2.126 50 0 DEAARO C[NH+](C)CC(C)(C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000408520350 227240685 /nfs/dbraw/zinc/24/06/85/227240685.db2.gz AKLNXENEMSMWKE-UHFFFAOYSA-N 1 0 318.446 2.204 50 0 DEAARO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)c1ccc2c(c1)OCO2 ZINC000048346012 424832602 /nfs/dbraw/zinc/83/26/02/424832602.db2.gz XNHIJQSOYQUIGC-CABCVRRESA-N 1 0 313.353 2.042 50 0 DEAARO Cc1nc2c(cnn2C)c(NCCC[NH2+]C2CCCCC2)n1 ZINC000048262209 424830990 /nfs/dbraw/zinc/83/09/90/424830990.db2.gz CBQQTXQZHFPCRH-UHFFFAOYSA-N 1 0 302.426 2.396 50 0 DEAARO Cc1cccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000048275693 424832059 /nfs/dbraw/zinc/83/20/59/424832059.db2.gz PIGQYKPJGVJBRM-UHFFFAOYSA-N 1 0 318.442 2.204 50 0 DEAARO COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000044862848 424814262 /nfs/dbraw/zinc/81/42/62/424814262.db2.gz ZQWYKEQJSLXZGD-CYBMUJFWSA-N 1 0 319.426 2.373 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000106909340 424850261 /nfs/dbraw/zinc/85/02/61/424850261.db2.gz VEJAKVSKFSXGRP-LSDHHAIUSA-N 1 0 324.856 2.357 50 0 DEAARO CC(C)(C)SCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000252508855 424888102 /nfs/dbraw/zinc/88/81/02/424888102.db2.gz XWABVNLVACMCAQ-AWEZNQCLSA-N 1 0 314.495 2.089 50 0 DEAARO Cc1ccc(F)c(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000252510068 424888119 /nfs/dbraw/zinc/88/81/19/424888119.db2.gz ZBAIVITXQCEJPG-CQSZACIVSA-N 1 0 305.397 2.243 50 0 DEAARO O=C(CCCn1cccn1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000257198527 424888784 /nfs/dbraw/zinc/88/87/84/424888784.db2.gz BHQWQTOOBSZEJI-JKSUJKDBSA-N 1 0 304.438 2.044 50 0 biogenic DEAARO CC[N@H+](C)C1(CNc2cc([C@H]3CCOC3)ncn2)CCCCC1 ZINC000426503498 425001814 /nfs/dbraw/zinc/00/18/14/425001814.db2.gz WQBVKEBULIJFKR-HNNXBMFYSA-N 1 0 318.465 3.047 50 0 DEAARO c1nc(NCCCC[NH+]2CCCCCC2)cc([C@H]2CCOC2)n1 ZINC000426380416 425001352 /nfs/dbraw/zinc/00/13/52/425001352.db2.gz MUJAJKIBBUMQNV-INIZCTEOSA-N 1 0 318.465 3.049 50 0 DEAARO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005497087 275548295 /nfs/dbraw/zinc/54/82/95/275548295.db2.gz AOJWGGYSYGHOGA-UHFFFAOYSA-N 1 0 316.854 2.493 50 0 DEAARO CC(=O)Nc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000024801950 277070202 /nfs/dbraw/zinc/07/02/02/277070202.db2.gz REPSBMBDPPQIDF-ZDUSSCGKSA-N 1 0 303.406 2.249 50 0 DEAARO C[C@@H](C[NH+]1CCC(C)CC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000000808192 278250977 /nfs/dbraw/zinc/25/09/77/278250977.db2.gz RUYJYMWKKRHAKJ-WMLDXEAASA-N 1 0 319.401 2.490 50 0 DEAARO Cc1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc1C ZINC000095978586 279016325 /nfs/dbraw/zinc/01/63/25/279016325.db2.gz ZDYDHKDFKFINHU-INIZCTEOSA-N 1 0 304.438 2.175 50 0 DEAARO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 ZINC000090591500 281319642 /nfs/dbraw/zinc/31/96/42/281319642.db2.gz AULWJRZDRPHQQV-WDEREUQCSA-N 1 0 322.371 2.475 50 0 DEAARO Cn1ccnc1CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000105876350 281659944 /nfs/dbraw/zinc/65/99/44/281659944.db2.gz RFUSHMMYUSTAFT-SFHVURJKSA-N 1 0 313.445 2.278 50 0 DEAARO Cn1cc(SCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000082157651 294271926 /nfs/dbraw/zinc/27/19/26/294271926.db2.gz KGSMCAVYSRWVLT-RYUDHWBXSA-N 1 0 321.421 2.087 50 0 DEAARO O=C(c1c[nH]nc1-c1ccsc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000188980347 333059959 /nfs/dbraw/zinc/05/99/59/333059959.db2.gz FWJXDBXIMSUJTG-ZDUSSCGKSA-N 1 0 316.430 2.449 50 0 DEAARO Cn1c(C[NH3+])nnc1SCc1cccc(OC(F)F)c1 ZINC000534578898 334288588 /nfs/dbraw/zinc/28/85/88/334288588.db2.gz NEXJURODAPMWMW-UHFFFAOYSA-N 1 0 300.334 2.168 50 0 DEAARO Cc1cc(C)nc(CN(C)C(=O)NC[C@H](C(C)C)[NH+](C)C)c1 ZINC000534584230 334289220 /nfs/dbraw/zinc/28/92/20/334289220.db2.gz KSFONGNMLSETDU-MRXNPFEDSA-N 1 0 306.454 2.426 50 0 DEAARO Cc1ccc(-c2noc(CC[NH2+][C@H](C)Cn3ccnc3)n2)cc1 ZINC000534658181 334314717 /nfs/dbraw/zinc/31/47/17/334314717.db2.gz YKWVAPFMASRGGF-CQSZACIVSA-N 1 0 311.389 2.462 50 0 DEAARO C[C@@H]([NH2+]CCN(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000025562445 337354781 /nfs/dbraw/zinc/35/47/81/337354781.db2.gz LDIRTDKJPJGEMH-SECBINFHSA-N 1 0 304.221 2.472 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)CC2 ZINC000097098922 337382162 /nfs/dbraw/zinc/38/21/62/337382162.db2.gz HOSAAMJLDIMNTJ-RBSFLKMASA-N 1 0 304.438 2.321 50 0 DEAARO C[C@H](CNS(=O)(=O)c1ccccc1F)[N@@H+]1CCCC[C@H]1C ZINC000248083380 534121540 /nfs/dbraw/zinc/12/15/40/534121540.db2.gz JPSUMHDGJXYAHH-CHWSQXEVSA-N 1 0 314.426 2.367 50 0 DEAARO C[C@@H]1C[N@@H+](CCCN2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000328588552 534461829 /nfs/dbraw/zinc/46/18/29/534461829.db2.gz IHHSQJRUTDVLGN-FDCRZUCXSA-N 1 0 322.493 2.375 50 0 DEAARO [NH3+]CCc1nnc(SC[C@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426474098 534656597 /nfs/dbraw/zinc/65/65/97/534656597.db2.gz FEACTRDFISBFOR-NSHDSACASA-N 1 0 322.409 2.036 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000299739407 534692270 /nfs/dbraw/zinc/69/22/70/534692270.db2.gz OCELEVWPEMFPMR-CYBMUJFWSA-N 1 0 306.381 2.173 50 0 DEAARO CCn1nnc(C)c1C[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000449251693 535917350 /nfs/dbraw/zinc/91/73/50/535917350.db2.gz SIHLEJZJSWGITA-WMLDXEAASA-N 1 0 301.438 2.387 50 0 DEAARO C[C@@H](C[NH+](C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000002472089 624108041 /nfs/dbraw/zinc/10/80/41/624108041.db2.gz QFOYKXKGORYMDS-HNNXBMFYSA-N 1 0 313.397 2.416 50 0 DEAARO Nc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)n1 ZINC000888096315 635529826 /nfs/dbraw/zinc/52/98/26/635529826.db2.gz ALTIPFSYZLATNM-OLZOCXBDSA-N 1 0 305.426 2.058 50 0 DEAARO Oc1ccc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1 ZINC000011879830 635869009 /nfs/dbraw/zinc/86/90/09/635869009.db2.gz YQCXBTFQAXRPMB-QZTJIDSGSA-N 1 0 304.434 2.203 50 0 DEAARO CCCN1CC[N@@H+]([C@H]2CCc3ccc(OC)cc3C2)CCC1=O ZINC000012212684 636056067 /nfs/dbraw/zinc/05/60/67/636056067.db2.gz NXXRXNAEKOBFFF-KRWDZBQOSA-N 1 0 316.445 2.497 50 0 DEAARO Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)cn1 ZINC000012753038 636263348 /nfs/dbraw/zinc/26/33/48/636263348.db2.gz OIKHUYDVDOZDAP-SFHVURJKSA-N 1 0 318.465 2.281 50 0 DEAARO CN(C(=O)NC1CC[NH+](C2CCOCC2)CC1)C1CCCC1 ZINC000874434009 648090815 /nfs/dbraw/zinc/09/08/15/648090815.db2.gz XRRWWLAATUFZPK-UHFFFAOYSA-N 1 0 309.454 2.214 50 0 DEAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC000012704274 683843792 /nfs/dbraw/zinc/84/37/92/683843792.db2.gz NZWKCFQQVQYMAC-CQSZACIVSA-N 1 0 316.430 2.275 50 0 DEAARO CCCc1nc(C)c(CNc2nc(N)nc3c2CC[NH2+]C3)s1 ZINC000067677250 683925060 /nfs/dbraw/zinc/92/50/60/683925060.db2.gz MJLJRAWSWPSAOH-UHFFFAOYSA-N 1 0 318.450 2.034 50 0 DEAARO Cc1nc[nH]c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067856718 683925603 /nfs/dbraw/zinc/92/56/03/683925603.db2.gz AIUOZYTWDCBKJO-ZDUSSCGKSA-N 1 0 316.380 2.109 50 0 DEAARO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000863984513 686602470 /nfs/dbraw/zinc/60/24/70/686602470.db2.gz VXTSTNLRKOOKEV-SJKOYZFVSA-N 1 0 307.413 2.075 50 0 DEAARO C[N@H+](CC(=O)Nc1ccc(CN2CCOC2=O)cc1)C1CCC1 ZINC000585124338 790317191 /nfs/dbraw/zinc/31/71/91/790317191.db2.gz XRLIGPODYBVZJO-UHFFFAOYSA-N 1 0 317.389 2.062 50 0 DEAARO C[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000585089231 789692163 /nfs/dbraw/zinc/69/21/63/789692163.db2.gz VFZAXKVZAQTBPQ-BYNSBNAKSA-N 1 0 310.438 2.159 50 0 DEAARO CCOc1cccc(CNC(=O)COC[C@H](C)[NH+]2CCCC2)c1 ZINC000585121157 789707731 /nfs/dbraw/zinc/70/77/31/789707731.db2.gz HKRYGGSULRSWDG-HNNXBMFYSA-N 1 0 320.433 2.202 50 0 DEAARO Cc1nnc(C[NH2+]C2CCN(c3ccc(F)cc3C)CC2)[nH]1 ZINC000952972843 792831848 /nfs/dbraw/zinc/83/18/48/792831848.db2.gz GYXCPZIASWBLAC-UHFFFAOYSA-N 1 0 303.385 2.319 50 0 DEAARO C[N@H+](CC[C@@H]1CCCCO1)CC(=O)NCCc1ccc(F)cc1 ZINC001529172508 1070899603 /nfs/dbraw/zinc/89/96/03/1070899603.db2.gz NHDAKISJPNFHDQ-KRWDZBQOSA-N 1 0 322.424 2.375 50 0 DEAARO Cc1cc(C(N)=O)c(N(C)CC[C@@H](C)[NH+]2CCCC2)nc1C ZINC001506404771 1061946848 /nfs/dbraw/zinc/94/68/48/1061946848.db2.gz ITQRHCNYBRTRJL-CYBMUJFWSA-N 1 0 304.438 2.108 50 0 DEAARO CN(C)C(=O)c1cncc(NCCCC[NH+]2CCCCCC2)n1 ZINC001506407834 1061946923 /nfs/dbraw/zinc/94/69/23/1061946923.db2.gz SDXDJLIJADVUPO-UHFFFAOYSA-N 1 0 319.453 2.247 50 0 DEAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]CC1(O)C2CC3CC(C2)CC1C3 ZINC001506417558 1061960187 /nfs/dbraw/zinc/96/01/87/1061960187.db2.gz AKJJSPUFVXGKCB-IWECRPPFSA-N 1 0 322.493 2.457 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@H](C)c2nc(C3CC3)no2)CC1 ZINC000095519812 185377225 /nfs/dbraw/zinc/37/72/25/185377225.db2.gz BOERYPWELFIKRM-LLVKDONJSA-N 1 0 306.410 2.246 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000072274445 282116685 /nfs/dbraw/zinc/11/66/85/282116685.db2.gz JNDVJNISBWBONX-HNNXBMFYSA-N 1 0 312.417 2.405 50 0 DEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(Cl)c[nH]1 ZINC000426501917 230801837 /nfs/dbraw/zinc/80/18/37/230801837.db2.gz SKZBGXASFIISKF-UHFFFAOYSA-N 1 0 311.813 2.041 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000078895605 185124705 /nfs/dbraw/zinc/12/47/05/185124705.db2.gz DOOLRUOYGMIHBE-SUMWQHHRSA-N 1 0 320.481 2.107 50 0 DEAARO C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000078932511 185130672 /nfs/dbraw/zinc/13/06/72/185130672.db2.gz FPMCHUIGXNGACX-KGLIPLIRSA-N 1 0 320.408 2.445 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000225436523 201708101 /nfs/dbraw/zinc/70/81/01/201708101.db2.gz SSXGPZMHHWNQTO-XIRDDKMYSA-N 1 0 318.417 2.102 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC13CCCC3)CC2 ZINC000328801816 231351874 /nfs/dbraw/zinc/35/18/74/231351874.db2.gz AMABJROEHIIKTB-KGLIPLIRSA-N 1 0 304.438 2.442 50 0 DEAARO CC(C)Cc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000088680209 185262537 /nfs/dbraw/zinc/26/25/37/185262537.db2.gz QGYGBTQCEPAEPL-UHFFFAOYSA-N 1 0 304.434 2.257 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419610 185360074 /nfs/dbraw/zinc/36/00/74/185360074.db2.gz MQBZUUKCAYIVPN-RKDXNWHRSA-N 1 0 307.337 2.189 50 0 DEAARO C[C@@H]([NH2+]CC1(O)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000095422364 185360994 /nfs/dbraw/zinc/36/09/94/185360994.db2.gz DLFZQANKOPRKOD-SJLPKXTDSA-N 1 0 318.461 2.171 50 0 DEAARO C[N@@H+]1CCN2CCN(Cc3c(F)ccc(Cl)c3F)C[C@H]2C1 ZINC000244574913 529779053 /nfs/dbraw/zinc/77/90/53/529779053.db2.gz CTIRBSGQHYSKHE-LLVKDONJSA-N 1 0 315.795 2.050 50 0 DEAARO COc1ccc2oc(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000095448656 185368480 /nfs/dbraw/zinc/36/84/80/185368480.db2.gz LMXCSVHOAPXFTI-PBHICJAKSA-N 1 0 316.401 2.394 50 0 DEAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000097033481 185399631 /nfs/dbraw/zinc/39/96/31/185399631.db2.gz BTOSGTHRGTUQQD-BHYGNILZSA-N 1 0 304.434 2.151 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000097159051 185417027 /nfs/dbraw/zinc/41/70/27/185417027.db2.gz VEZQEJCDGZXNNJ-UHFFFAOYSA-N 1 0 310.405 2.414 50 0 DEAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](Cc3cnc(C)s3)C2)o1 ZINC000084258988 539394021 /nfs/dbraw/zinc/39/40/21/539394021.db2.gz PIOPNBMLEFDZQD-ZDUSSCGKSA-N 1 0 306.435 2.454 50 0 DEAARO CC[C@H]([NH2+]C[C@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 ZINC000084718746 539398051 /nfs/dbraw/zinc/39/80/51/539398051.db2.gz ROVCGQJFOOAQSK-OLZOCXBDSA-N 1 0 317.393 2.064 50 0 DEAARO COC1CCN(CC[NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091368297 539419210 /nfs/dbraw/zinc/41/92/10/539419210.db2.gz XIRAWBHGUPFDLK-CQSZACIVSA-N 1 0 316.449 2.335 50 0 DEAARO CCn1c(=O)n(C/C=C/c2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067982410 190741609 /nfs/dbraw/zinc/74/16/09/190741609.db2.gz PFXHSMYMMJADBJ-OJXHRBAXSA-N 1 0 312.417 2.245 50 0 DEAARO [NH3+]CC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000123876226 185851385 /nfs/dbraw/zinc/85/13/85/185851385.db2.gz LINOQNAZSBGPFE-UHFFFAOYSA-N 1 0 304.415 2.199 50 0 DEAARO CC(C)(C)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000170048913 539614052 /nfs/dbraw/zinc/61/40/52/539614052.db2.gz MLWSPGLAMSJSOO-CVEARBPZSA-N 1 0 304.434 2.139 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000255045208 282609953 /nfs/dbraw/zinc/60/99/53/282609953.db2.gz UKDAWDUEXSQQQP-FRGQNTEPSA-N 1 0 316.401 2.057 50 0 DEAARO C[NH+](C)CCn1c2ccccc2c2c1CCCS(=O)(=O)CC2 ZINC000071769127 191029126 /nfs/dbraw/zinc/02/91/26/191029126.db2.gz ZPZMBHVDEKYYEE-UHFFFAOYSA-N 1 0 320.458 2.106 50 0 DEAARO CN(C)c1ccc(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000072125421 191042214 /nfs/dbraw/zinc/04/22/14/191042214.db2.gz CQMROCVHAMVCKS-MRXNPFEDSA-N 1 0 303.450 2.238 50 0 DEAARO COc1cccc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072135149 191045778 /nfs/dbraw/zinc/04/57/78/191045778.db2.gz DSPVYRAJLIPPSY-INIZCTEOSA-N 1 0 318.417 2.066 50 0 DEAARO CCc1nnc(CNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)s1 ZINC000072162033 191062464 /nfs/dbraw/zinc/06/24/64/191062464.db2.gz BVXRZMQSHHKISG-LLVKDONJSA-N 1 0 316.430 2.107 50 0 DEAARO COc1cccc([C@H]2CCCC[N@@H+]2CCCn2cnnn2)c1 ZINC000072168895 191068246 /nfs/dbraw/zinc/06/82/46/191068246.db2.gz OQWUCBJSQBMVEU-MRXNPFEDSA-N 1 0 301.394 2.299 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000152389773 186068162 /nfs/dbraw/zinc/06/81/62/186068162.db2.gz ZDNKQAIMPUYQCK-JTQLQIEISA-N 1 0 317.614 2.205 50 0 DEAARO CC[C@H]1CN(Cc2nc3ccccc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000072279704 191099475 /nfs/dbraw/zinc/09/94/75/191099475.db2.gz IVUWYJMOZCXOFV-KGLIPLIRSA-N 1 0 303.406 2.105 50 0 DEAARO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC2CCCC2)CC1 ZINC000072282574 191102992 /nfs/dbraw/zinc/10/29/92/191102992.db2.gz NWKDOFICEWQDCO-MRXNPFEDSA-N 1 0 307.482 2.195 50 0 DEAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183842234 186223598 /nfs/dbraw/zinc/22/35/98/186223598.db2.gz QCUPXOJQHCAKED-INIZCTEOSA-N 1 0 319.401 2.448 50 0 DEAARO CCN(C1CC[NH+](C[C@H](C)CC(C)C)CC1)S(C)(=O)=O ZINC000225627876 186284285 /nfs/dbraw/zinc/28/42/85/186284285.db2.gz NKGIKXWXBQFWDQ-CQSZACIVSA-N 1 0 304.500 2.415 50 0 DEAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)nn1-c1ccccc1 ZINC000237500251 186297941 /nfs/dbraw/zinc/29/79/41/186297941.db2.gz RHBHERLYGLHXKE-LSDHHAIUSA-N 1 0 312.417 2.380 50 0 DEAARO COc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1OC ZINC000072328580 191123215 /nfs/dbraw/zinc/12/32/15/191123215.db2.gz ZMYXPUAKDUBJER-UHFFFAOYSA-N 1 0 303.362 2.296 50 0 DEAARO COc1cccc(-c2cc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)on2)c1 ZINC000072429407 191163546 /nfs/dbraw/zinc/16/35/46/191163546.db2.gz FQQUXCWDMDDCNA-QWHCGFSZSA-N 1 0 315.373 2.094 50 0 DEAARO c1cn(-c2ccc3scnc3c2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072480158 191181762 /nfs/dbraw/zinc/18/17/62/191181762.db2.gz LQNYPAKGTYEXCG-UHFFFAOYSA-N 1 0 322.397 2.449 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCn1cccn1 ZINC000299754416 539859691 /nfs/dbraw/zinc/85/96/91/539859691.db2.gz KUPGUSGRPUNXBB-SJORKVTESA-N 1 0 318.465 2.386 50 0 biogenic DEAARO Nc1ncccc1C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000072478836 191178955 /nfs/dbraw/zinc/17/89/55/191178955.db2.gz WHNHSABPLPCUTP-SFHVURJKSA-N 1 0 311.429 2.479 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc(OC)c1O ZINC000022587941 354054376 /nfs/dbraw/zinc/05/43/76/354054376.db2.gz OCSJIBDYOMTZCG-OCCSQVGLSA-N 1 0 306.406 2.078 50 0 DEAARO O=C(NCCOc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000041516858 354175108 /nfs/dbraw/zinc/17/51/08/354175108.db2.gz AHUSDAGSOOEOOL-JTQLQIEISA-N 1 0 303.189 2.240 50 0 DEAARO COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000033848622 354160179 /nfs/dbraw/zinc/16/01/79/354160179.db2.gz CQCAAWDBRXNGTD-INIZCTEOSA-N 1 0 324.380 2.159 50 0 DEAARO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000004279524 181091310 /nfs/dbraw/zinc/09/13/10/181091310.db2.gz OQSXCVMASFIVFI-LBPRGKRZSA-N 1 0 300.196 2.285 50 0 DEAARO O[C@H](C[NH2+]C1Cc2ccccc2C1)COc1ccc(F)cc1 ZINC000004324382 181098127 /nfs/dbraw/zinc/09/81/27/181098127.db2.gz LUCCKCFGYZYUAN-QGZVFWFLSA-N 1 0 301.361 2.322 50 0 DEAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC000004676523 181135530 /nfs/dbraw/zinc/13/55/30/181135530.db2.gz VTNKLRHGSJFJRT-HNNXBMFYSA-N 1 0 311.470 2.014 50 0 DEAARO CCc1nnc(-c2nnc(NCC[NH+](C)C)c3ccccc32)o1 ZINC000065258193 354680586 /nfs/dbraw/zinc/68/05/86/354680586.db2.gz FNNPJDSOFJIDSJ-UHFFFAOYSA-N 1 0 312.377 2.216 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1cccn1C ZINC000076042801 355120668 /nfs/dbraw/zinc/12/06/68/355120668.db2.gz YHSJBVZLBGMOIB-PBHICJAKSA-N 1 0 302.422 2.243 50 0 DEAARO C[C@H]1CN([C@@H](C[NH2+]Cc2cnn(C)c2)c2cccs2)CCO1 ZINC000075603985 355095849 /nfs/dbraw/zinc/09/58/49/355095849.db2.gz JGGXLAIJZLWVOC-ZFWWWQNUSA-N 1 0 320.462 2.033 50 0 DEAARO CN(Cc1cccs1)C(=O)C[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000078972724 355288648 /nfs/dbraw/zinc/28/86/48/355288648.db2.gz AWYDFFOZFZVTJI-BMFZPTHFSA-N 1 0 322.474 2.452 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)[C@H](C)C1 ZINC000078897370 355284069 /nfs/dbraw/zinc/28/40/69/355284069.db2.gz ZCMOUTXKNIWPPL-UKRRQHHQSA-N 1 0 318.417 2.194 50 0 DEAARO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1cccc(F)c1 ZINC000083443374 355467620 /nfs/dbraw/zinc/46/76/20/355467620.db2.gz BXRBPNGWVPBZBJ-UHFFFAOYSA-N 1 0 317.368 2.152 50 0 DEAARO Cc1cnc(CN(Cc2cnc(C)s2)[C@@H]2CC[N@@H+](C)C2)o1 ZINC000089702337 355541394 /nfs/dbraw/zinc/54/13/94/355541394.db2.gz ODFFBDKSSZPXPV-CYBMUJFWSA-N 1 0 306.435 2.454 50 0 DEAARO COCc1nc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cs1 ZINC000089702155 355541537 /nfs/dbraw/zinc/54/15/37/355541537.db2.gz VUYJEZCGOHLDEB-GFCCVEGCSA-N 1 0 306.435 2.462 50 0 DEAARO O=C(c1cccc(F)c1F)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077408175 191710951 /nfs/dbraw/zinc/71/09/51/191710951.db2.gz VBJDQZWCSCFNPK-QGZVFWFLSA-N 1 0 324.371 2.028 50 0 DEAARO CN1C(=O)N[C@](C)([C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1=O ZINC000095402581 355697343 /nfs/dbraw/zinc/69/73/43/355697343.db2.gz FWLBVXUWHBOZKH-RHSMWYFYSA-N 1 0 307.438 2.219 50 0 DEAARO O=C1CCCc2c(OC[C@@H](O)C[NH2+]C3CCCC3)cccc21 ZINC000096028040 355698109 /nfs/dbraw/zinc/69/81/09/355698109.db2.gz HLYKKYVFFKUOPU-AWEZNQCLSA-N 1 0 303.402 2.478 50 0 DEAARO N[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000167770858 355977901 /nfs/dbraw/zinc/97/79/01/355977901.db2.gz QYDGHQIHFIUTIT-IRXDYDNUSA-N 1 0 301.434 2.163 50 0 DEAARO CCn1nccc1C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000169791852 355984573 /nfs/dbraw/zinc/98/45/73/355984573.db2.gz RJPAUJJNEBJEGO-SJLPKXTDSA-N 1 0 324.428 2.250 50 0 DEAARO COC(=O)CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035139422 291083900 /nfs/dbraw/zinc/08/39/00/291083900.db2.gz YLVVXQJSXVMLSL-BVIKNXMNSA-N 1 0 304.434 2.054 50 0 biogenic DEAARO O=C(Cc1cc(F)ccc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000195549181 356256181 /nfs/dbraw/zinc/25/61/81/356256181.db2.gz WDYPEAFVABULKY-UHFFFAOYSA-N 1 0 303.312 2.187 50 0 DEAARO [NH3+][C@@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC000195555088 356257012 /nfs/dbraw/zinc/25/70/12/356257012.db2.gz MWEZGPPSRLNPPU-ZWKOTPCHSA-N 1 0 310.397 2.157 50 0 DEAARO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccn(C)c1=O ZINC000195570025 356258332 /nfs/dbraw/zinc/25/83/32/356258332.db2.gz RIWOYINXJFHNCG-AWEZNQCLSA-N 1 0 320.437 2.017 50 0 DEAARO OC[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000225533141 356276385 /nfs/dbraw/zinc/27/63/85/356276385.db2.gz CYTMOLJXGMPHCA-JQHSSLGASA-N 1 0 305.418 2.415 50 0 DEAARO C[C@H](COc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000253369453 356336375 /nfs/dbraw/zinc/33/63/75/356336375.db2.gz CTNSFKGWXASQTM-KCPJHIHWSA-N 1 0 315.410 2.148 50 0 DEAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000254767150 356336782 /nfs/dbraw/zinc/33/67/82/356336782.db2.gz WHJLGNFFUYUWGO-GJWDQICYSA-N 1 0 322.474 2.350 50 0 DEAARO CS[C@@H](C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081665956 192309289 /nfs/dbraw/zinc/30/92/89/192309289.db2.gz HOXXILGLQYFZFW-AWEZNQCLSA-N 1 0 314.495 2.137 50 0 DEAARO CCOc1ccccc1CCC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000236906708 202064764 /nfs/dbraw/zinc/06/47/64/202064764.db2.gz YBESLCBAPCIWGG-OAHLLOKOSA-N 1 0 304.434 2.476 50 0 DEAARO CN(C(=O)c1ccn(-c2ccccc2Cl)n1)C1CC[NH2+]CC1 ZINC000237114829 202157196 /nfs/dbraw/zinc/15/71/96/202157196.db2.gz CUGUHIQKHMZYOV-UHFFFAOYSA-N 1 0 318.808 2.350 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000237228085 202197665 /nfs/dbraw/zinc/19/76/65/202197665.db2.gz JJTZMLDSYUBKEW-SNVBAGLBSA-N 1 0 300.761 2.068 50 0 DEAARO CC(C)C1=NO[C@@H](C(=O)N2CC[NH+](CC3CCCC3)CC2)C1 ZINC000584889546 357325905 /nfs/dbraw/zinc/32/59/05/357325905.db2.gz WCUWMWGXPVIVBE-MRXNPFEDSA-N 1 0 307.438 2.122 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)NC[C@@H](O)c1ccccc1C ZINC000584887319 357326371 /nfs/dbraw/zinc/32/63/71/357326371.db2.gz VFBDKXMJWTXQRW-OAHLLOKOSA-N 1 0 307.438 2.058 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)N2CC(c3ccccn3)C2)C1 ZINC000584895670 357328865 /nfs/dbraw/zinc/32/88/65/357328865.db2.gz ZKCCEPLQKPMEDY-OAHLLOKOSA-N 1 0 316.449 2.312 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000584897585 357329671 /nfs/dbraw/zinc/32/96/71/357329671.db2.gz DHMWKSJHMVULJV-LLVKDONJSA-N 1 0 306.341 2.022 50 0 DEAARO CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c2CCC3=O)C1 ZINC000584903306 357331386 /nfs/dbraw/zinc/33/13/86/357331386.db2.gz RMUKGIWYXZKQMG-CYBMUJFWSA-N 1 0 300.402 2.420 50 0 DEAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3ccnc3)ccc2NC1=O ZINC000180008934 199106395 /nfs/dbraw/zinc/10/63/95/199106395.db2.gz SMWFFOCAXFAWKG-DOMZBBRYSA-N 1 0 314.389 2.343 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000237284730 202215827 /nfs/dbraw/zinc/21/58/27/202215827.db2.gz CIAIVGHISMRERH-UONOGXRCSA-N 1 0 306.406 2.098 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 ZINC000237296914 202222138 /nfs/dbraw/zinc/22/21/38/202222138.db2.gz LHKBOALQMGOTHD-GFCCVEGCSA-N 1 0 310.825 2.349 50 0 DEAARO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1OC ZINC000237427398 202261786 /nfs/dbraw/zinc/26/17/86/202261786.db2.gz GLAHAMKSUKIXJA-UKRRQHHQSA-N 1 0 304.434 2.461 50 0 DEAARO COCC[NH+]1CCC(CNc2cnc3ccccc3n2)CC1 ZINC000089414512 192783847 /nfs/dbraw/zinc/78/38/47/192783847.db2.gz AOPQSSPWVCYSMP-UHFFFAOYSA-N 1 0 300.406 2.400 50 0 DEAARO C[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@@H]1C[NH3+] ZINC000237651388 202319131 /nfs/dbraw/zinc/31/91/31/202319131.db2.gz VRWRFIULLQYXCD-BLLLJJGKSA-N 1 0 316.380 2.211 50 0 DEAARO Cc1nc(C)c(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000670446675 540934518 /nfs/dbraw/zinc/93/45/18/540934518.db2.gz QVURHSPUINLMGW-OAHLLOKOSA-N 1 0 321.421 2.008 50 0 DEAARO CC1(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)CCOCC1 ZINC000670444908 540934810 /nfs/dbraw/zinc/93/48/10/540934810.db2.gz DTBQLGVRBQHGGJ-UHFFFAOYSA-N 1 0 306.406 2.244 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000670449477 540935156 /nfs/dbraw/zinc/93/51/56/540935156.db2.gz ZBYJNOQFBXCDEQ-GFCCVEGCSA-N 1 0 302.344 2.330 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000670449478 540935292 /nfs/dbraw/zinc/93/52/92/540935292.db2.gz ZBYJNOQFBXCDEQ-LBPRGKRZSA-N 1 0 302.344 2.330 50 0 DEAARO Cc1nn(CCO)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000670455063 540936137 /nfs/dbraw/zinc/93/61/37/540936137.db2.gz LCHPQDCDLLYGGP-UHFFFAOYSA-N 1 0 314.433 2.034 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195237605 201364892 /nfs/dbraw/zinc/36/48/92/201364892.db2.gz RXCTYZKFXNSTRR-OWCLPIDISA-N 1 0 305.397 2.417 50 0 DEAARO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 ZINC000090857547 192938843 /nfs/dbraw/zinc/93/88/43/192938843.db2.gz MSSCMYBIZDMZRI-RCBQFDQVSA-N 1 0 301.394 2.271 50 0 DEAARO O=C(NCC[C@H]1CCc2ccccc2N1)[C@@H]1CCn2ccnc2C1 ZINC000623180267 364907751 /nfs/dbraw/zinc/90/77/51/364907751.db2.gz XVEHFIPSPKJHHG-HZPDHXFCSA-N 1 0 324.428 2.379 50 0 DEAARO Cc1ccc2[nH]c(C[NH2+]C[C@H](O)c3ccc(O)cc3)cc(=O)c2c1 ZINC000091365322 193046244 /nfs/dbraw/zinc/04/62/44/193046244.db2.gz RAZVCORBPDDIOF-IBGZPJMESA-N 1 0 324.380 2.365 50 0 DEAARO CN1CC2(CC[NH+](CCCO)CC2)C[C@H](c2ccccc2)C1=O ZINC000091550515 193072220 /nfs/dbraw/zinc/07/22/20/193072220.db2.gz AHHFBTSEOQRBIZ-QGZVFWFLSA-N 1 0 316.445 2.097 50 0 DEAARO COc1ccc([C@H]2CN(C(=O)CCC(F)(F)F)C[C@@H]2[NH3+])cc1 ZINC000091468720 193060734 /nfs/dbraw/zinc/06/07/34/193060734.db2.gz STVLOGKDXGMJAA-OLZOCXBDSA-N 1 0 316.323 2.291 50 0 DEAARO CCC[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1NC(=O)CSC ZINC000091473940 193061664 /nfs/dbraw/zinc/06/16/64/193061664.db2.gz WXVWMTNTDGUOLI-GJZGRUSLSA-N 1 0 307.463 2.161 50 0 DEAARO COc1ccc2c(C)c(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)oc2c1 ZINC000091691203 193092602 /nfs/dbraw/zinc/09/26/02/193092602.db2.gz HJWHNNRYCDUSOG-QWRGUYRKSA-N 1 0 306.337 2.180 50 0 DEAARO CC(C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091745598 193100196 /nfs/dbraw/zinc/10/01/96/193100196.db2.gz LBYMHJCJIHKGII-UHFFFAOYSA-N 1 0 318.465 2.313 50 0 DEAARO COc1ccc2cc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)ccc2c1 ZINC000091864146 193120714 /nfs/dbraw/zinc/12/07/14/193120714.db2.gz GTPSBADMXHSJOR-INIZCTEOSA-N 1 0 311.385 2.058 50 0 DEAARO Cc1cnc(N)nc1NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000092096762 193157060 /nfs/dbraw/zinc/15/70/60/193157060.db2.gz QRYHDGFUPCILHI-UHFFFAOYSA-N 1 0 319.453 2.204 50 0 DEAARO CSc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000219991297 201568707 /nfs/dbraw/zinc/56/87/07/201568707.db2.gz ZDOJIPWDWKICNP-HOTGVXAUSA-N 1 0 320.458 2.080 50 0 DEAARO [NH3+][C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@H]1c1ccccc1 ZINC000262117928 203204191 /nfs/dbraw/zinc/20/41/91/203204191.db2.gz BSAJHOWGGRDBTM-JKSUJKDBSA-N 1 0 321.380 2.324 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(O)cc2)CC1 ZINC000095370836 193434427 /nfs/dbraw/zinc/43/44/27/193434427.db2.gz RFELTMZRABVMEQ-KRWDZBQOSA-N 1 0 320.433 2.054 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 ZINC000095971462 193467592 /nfs/dbraw/zinc/46/75/92/193467592.db2.gz ZMSCIJQFQXMHPN-GFCCVEGCSA-N 1 0 314.385 2.250 50 0 DEAARO COCCOc1ccccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000095983811 193476866 /nfs/dbraw/zinc/47/68/66/193476866.db2.gz JJQFXKRNIFRQTI-MRXNPFEDSA-N 1 0 321.417 2.487 50 0 DEAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH2+]C1CCC1 ZINC000011720486 181701503 /nfs/dbraw/zinc/70/15/03/181701503.db2.gz QBFNJHHWUZDRTR-GOSISDBHSA-N 1 0 308.466 2.452 50 0 DEAARO Cc1cccnc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271704658 209140775 /nfs/dbraw/zinc/14/07/75/209140775.db2.gz QRTONMBORNUCOJ-UHFFFAOYSA-N 1 0 310.401 2.431 50 0 DEAARO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](O)C1 ZINC000016046597 182030651 /nfs/dbraw/zinc/03/06/51/182030651.db2.gz YPHSGVJIEGYQJL-GHMZBOCLSA-N 1 0 320.216 2.190 50 0 DEAARO CCC[NH+]1CCC(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000016606059 182053446 /nfs/dbraw/zinc/05/34/46/182053446.db2.gz ROLYVYHGWJNDAS-UHFFFAOYSA-N 1 0 312.360 2.334 50 0 DEAARO CC[NH+]1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000019371170 182119671 /nfs/dbraw/zinc/11/96/71/182119671.db2.gz TTXBPVDVCMPYNI-UHFFFAOYSA-N 1 0 312.413 2.419 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO ZINC000019839786 182155566 /nfs/dbraw/zinc/15/55/66/182155566.db2.gz LHQIKDJTGWBAJB-HNNXBMFYSA-N 1 0 312.404 2.489 50 0 DEAARO CC[NH+](CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O ZINC000020438589 182217813 /nfs/dbraw/zinc/21/78/13/182217813.db2.gz BNUMUFVSIVTFJR-UHFFFAOYSA-N 1 0 314.389 2.228 50 0 DEAARO CC(C)Oc1ccc(OCCOCCN2CC[NH+](C)CC2)cc1 ZINC000020639320 182240847 /nfs/dbraw/zinc/24/08/47/182240847.db2.gz QHEQYDJRWHWUPK-UHFFFAOYSA-N 1 0 322.449 2.117 50 0 DEAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706310 182242909 /nfs/dbraw/zinc/24/29/09/182242909.db2.gz XULQHNBCBQLSCG-QGZVFWFLSA-N 1 0 324.513 2.377 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022030432 182305552 /nfs/dbraw/zinc/30/55/52/182305552.db2.gz ZQWRAHWXIWUWLF-GOSISDBHSA-N 1 0 314.429 2.217 50 0 DEAARO CC(C)(C)c1ccccc1OCCOCCN1CC[NH2+]CC1 ZINC000022590121 182327561 /nfs/dbraw/zinc/32/75/61/182327561.db2.gz XKJVNNXPFTWRGO-UHFFFAOYSA-N 1 0 306.450 2.285 50 0 DEAARO C[NH+]1CCN([C@H](CNC(=O)C2CCCC2)c2ccsc2)CC1 ZINC000022794244 182335194 /nfs/dbraw/zinc/33/51/94/182335194.db2.gz JFMTYXDAYZRCEV-MRXNPFEDSA-N 1 0 321.490 2.343 50 0 DEAARO CCc1ccc(C(=O)NCC2CC[NH+](CCOC)CC2)cc1 ZINC000023014125 182344632 /nfs/dbraw/zinc/34/46/32/182344632.db2.gz ZQNDLDVFYULQTH-UHFFFAOYSA-N 1 0 304.434 2.337 50 0 DEAARO Cc1csc(=O)n1CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000040466313 183072492 /nfs/dbraw/zinc/07/24/92/183072492.db2.gz NEZWERXCYDBEMH-UHFFFAOYSA-N 1 0 306.387 2.079 50 0 DEAARO CC(C)C[NH+]1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000040466231 183072630 /nfs/dbraw/zinc/07/26/30/183072630.db2.gz QNXNYEHVYSMPNJ-CQSZACIVSA-N 1 0 314.433 2.258 50 0 DEAARO CCc1cccc(NC(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000040477746 183076205 /nfs/dbraw/zinc/07/62/05/183076205.db2.gz RVXWLHFFRJFWNF-UHFFFAOYSA-N 1 0 304.438 2.008 50 0 DEAARO NC(=O)c1ccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000040496588 183081273 /nfs/dbraw/zinc/08/12/73/183081273.db2.gz JCWHYCGMOVMABC-SFHVURJKSA-N 1 0 310.397 2.484 50 0 DEAARO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1F ZINC000040526061 183092132 /nfs/dbraw/zinc/09/21/32/183092132.db2.gz OKCNVNUAIPTIDE-AWEZNQCLSA-N 1 0 309.385 2.102 50 0 DEAARO C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)[NH+]1CCCC1 ZINC000040652939 183114211 /nfs/dbraw/zinc/11/42/11/183114211.db2.gz IRGHJYMIUPPLPK-CQSZACIVSA-N 1 0 315.417 2.028 50 0 DEAARO C[NH+](C)[C@@H](CNc1ncnc2nc[nH]c21)c1ccc(F)cc1 ZINC000041025958 183157731 /nfs/dbraw/zinc/15/77/31/183157731.db2.gz LICBZPBRBYPGSZ-LBPRGKRZSA-N 1 0 300.341 2.207 50 0 DEAARO Cc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000041362257 183186514 /nfs/dbraw/zinc/18/65/14/183186514.db2.gz UXUUZQZMRSMZSB-UHFFFAOYSA-N 1 0 303.450 2.061 50 0 DEAARO CC[NH+]1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000042205874 183242413 /nfs/dbraw/zinc/24/24/13/183242413.db2.gz JMFWUNDKHQUVTE-UHFFFAOYSA-N 1 0 313.239 2.465 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc(OC)c1 ZINC000493715157 249371112 /nfs/dbraw/zinc/37/11/12/249371112.db2.gz BNIDIYYRBMQKTC-WUXGLAHWSA-N 1 0 318.417 2.445 50 0 DEAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1nncs1 ZINC000043128953 183339727 /nfs/dbraw/zinc/33/97/27/183339727.db2.gz HCIXMOMWXMJRGU-UHFFFAOYSA-N 1 0 317.418 2.456 50 0 DEAARO O=C(NCCCC[NH+]1CCCC1)NCCOc1ccccc1 ZINC000043159944 183342057 /nfs/dbraw/zinc/34/20/57/183342057.db2.gz KNRWACAYXSTHNI-UHFFFAOYSA-N 1 0 305.422 2.241 50 0 DEAARO C[NH+]1CCC(O)([C@H](c2ccccc2)n2nnc3ccccc32)CC1 ZINC000043190803 183343385 /nfs/dbraw/zinc/34/33/85/183343385.db2.gz JQQXNHXJOYEISC-SFHVURJKSA-N 1 0 322.412 2.477 50 0 DEAARO CCCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000106517049 194222967 /nfs/dbraw/zinc/22/29/67/194222967.db2.gz GACSVNMHFVFEFH-IRXDYDNUSA-N 1 0 302.418 2.232 50 0 DEAARO O=C(Cc1ccc2ccccc2c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106577533 194231764 /nfs/dbraw/zinc/23/17/64/194231764.db2.gz BLNKRMQBTDWLTD-OALUTQOASA-N 1 0 324.424 2.362 50 0 DEAARO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000056156988 184006011 /nfs/dbraw/zinc/00/60/11/184006011.db2.gz ZMALDYGMPLGECW-STQMWFEESA-N 1 0 321.421 2.359 50 0 DEAARO C[C@H](C(=O)Nc1nccs1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058174916 184085177 /nfs/dbraw/zinc/08/51/77/184085177.db2.gz DHOKYXDDWDJMQM-CYBMUJFWSA-N 1 0 322.478 2.420 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)Cc2cccs2)cn1 ZINC000058293844 184101821 /nfs/dbraw/zinc/10/18/21/184101821.db2.gz CFDWHQRJOSGHJL-UHFFFAOYSA-N 1 0 306.435 2.468 50 0 DEAARO COc1c(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)nn1C ZINC000058313356 184103960 /nfs/dbraw/zinc/10/39/60/184103960.db2.gz BDXVLYXAQBVOOV-DYVFJYSZSA-N 1 0 308.470 2.337 50 0 DEAARO CCC[NH+]1CCC(NC(=O)COc2ccc(C(C)=O)cc2)CC1 ZINC000058311966 184104309 /nfs/dbraw/zinc/10/43/09/184104309.db2.gz PLJCJJCICUMHHK-UHFFFAOYSA-N 1 0 318.417 2.259 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000058407389 184114148 /nfs/dbraw/zinc/11/41/48/184114148.db2.gz MFDBYRZVMVYOFL-LLVKDONJSA-N 1 0 316.405 2.374 50 0 DEAARO CCN(Cc1nc(Cc2ccccc2)no1)C[C@H](C)C(=O)OC ZINC000058431089 184117801 /nfs/dbraw/zinc/11/78/01/184117801.db2.gz LCYUDGSRALDUIB-ZDUSSCGKSA-N 1 0 317.389 2.291 50 0 DEAARO CCOc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000061547872 184174410 /nfs/dbraw/zinc/17/44/10/184174410.db2.gz PAOXPDGYZJBQOG-UHFFFAOYSA-N 1 0 306.406 2.310 50 0 DEAARO CCC[NH+]1CCN(Cc2nc(-c3cccc(OC)c3)no2)CC1 ZINC000061781975 184187070 /nfs/dbraw/zinc/18/70/70/184187070.db2.gz MDIKXHLFWCMRRJ-UHFFFAOYSA-N 1 0 316.405 2.273 50 0 DEAARO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cnn1-c1ccccc1C ZINC000063114848 184271621 /nfs/dbraw/zinc/27/16/21/184271621.db2.gz HISSJFDEVXMORD-HNNXBMFYSA-N 1 0 324.428 2.456 50 0 DEAARO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)cn21 ZINC000065244544 184317593 /nfs/dbraw/zinc/31/75/93/184317593.db2.gz ZBFIJSGWAKTQJB-CQSZACIVSA-N 1 0 312.417 2.133 50 0 DEAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccccc2)[nH+]1 ZINC000065363004 184328410 /nfs/dbraw/zinc/32/84/10/184328410.db2.gz DYINIJTWODYOAN-UHFFFAOYSA-N 1 0 314.393 2.085 50 0 DEAARO CCn1cnnc1CC[NH2+]CC(=O)Nc1ccc(Cl)c(C)c1 ZINC000065370321 184329325 /nfs/dbraw/zinc/32/93/25/184329325.db2.gz ASMIHQPJNZCEHK-UHFFFAOYSA-N 1 0 321.812 2.031 50 0 DEAARO C[C@H](COc1ccccc1)[NH2+]CCn1ncc2ccccc2c1=O ZINC000065371354 184329694 /nfs/dbraw/zinc/32/96/94/184329694.db2.gz OZHQJGAJIGVSLX-OAHLLOKOSA-N 1 0 323.396 2.454 50 0 DEAARO CC[C@H](O)Cn1cc(C2=CC[N@H+](CCn3cccc3)CC2)cn1 ZINC000065426758 184342777 /nfs/dbraw/zinc/34/27/77/184342777.db2.gz NYSKJPSLNXNZBC-SFHVURJKSA-N 1 0 314.433 2.245 50 0 DEAARO Cc1nnc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000065452601 184347036 /nfs/dbraw/zinc/34/70/36/184347036.db2.gz ULSHNNCFFJWBFM-CQSZACIVSA-N 1 0 313.449 2.471 50 0 DEAARO NC(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000065457874 184348348 /nfs/dbraw/zinc/34/83/48/184348348.db2.gz QMDQIWOEDZTMMA-OAHLLOKOSA-N 1 0 310.401 2.115 50 0 DEAARO COc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c2ccccc12 ZINC000065490300 184353593 /nfs/dbraw/zinc/35/35/93/184353593.db2.gz KRVUGEFKWFINSL-CYBMUJFWSA-N 1 0 319.426 2.373 50 0 DEAARO CCc1ccnc(NC(=O)c2ccc(C[N@H+](C)CCO)cc2)c1 ZINC000065490298 184353848 /nfs/dbraw/zinc/35/38/48/184353848.db2.gz UOWHHZCVOSPULP-UHFFFAOYSA-N 1 0 313.401 2.320 50 0 DEAARO O=C(CCC(=O)NC1CCCCCCC1)NCC1CC[NH2+]CC1 ZINC000065398495 184336368 /nfs/dbraw/zinc/33/63/68/184336368.db2.gz LIDSDWJRWSHKGQ-UHFFFAOYSA-N 1 0 323.481 2.112 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000065593160 184370239 /nfs/dbraw/zinc/37/02/39/184370239.db2.gz MWXCOAXPWBXNQS-UHFFFAOYSA-N 1 0 314.433 2.149 50 0 DEAARO CCc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000065494606 184355194 /nfs/dbraw/zinc/35/51/94/184355194.db2.gz DWDRPTWUHLFGOX-CYBMUJFWSA-N 1 0 306.454 2.367 50 0 DEAARO COc1nc(C)cc(C)c1C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC000065507481 184356783 /nfs/dbraw/zinc/35/67/83/184356783.db2.gz IMLZUWAMDASDMP-CYBMUJFWSA-N 1 0 319.449 2.445 50 0 DEAARO COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1C ZINC000065626566 184376165 /nfs/dbraw/zinc/37/61/65/184376165.db2.gz FVRKHZWDRZRDTL-INIZCTEOSA-N 1 0 320.433 2.186 50 0 DEAARO C[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000065771920 184379578 /nfs/dbraw/zinc/37/95/78/184379578.db2.gz QBWILACOWOLDJA-UHFFFAOYSA-N 1 0 317.418 2.421 50 0 DEAARO C[NH+]1CCC(Cc2noc(-c3ccccc3-n3cncn3)n2)CC1 ZINC000067934348 184491193 /nfs/dbraw/zinc/49/11/93/184491193.db2.gz GVRLREWDJJHXCY-UHFFFAOYSA-N 1 0 324.388 2.202 50 0 DEAARO OC1(C[NH2+]Cc2cccc(Br)c2)CCOCC1 ZINC000112717014 194510571 /nfs/dbraw/zinc/51/05/71/194510571.db2.gz UYSYALQORRGPLN-UHFFFAOYSA-N 1 0 300.196 2.080 50 0 DEAARO FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000116924049 194784505 /nfs/dbraw/zinc/78/45/05/194784505.db2.gz VARYQPQASRLMMG-LLVKDONJSA-N 1 0 308.332 2.380 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC[NH2+]1 ZINC000155217294 197032837 /nfs/dbraw/zinc/03/28/37/197032837.db2.gz GDSYRVGOBMOTOI-HONMWMINSA-N 1 0 323.234 2.373 50 0 DEAARO C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CC[NH2+]1 ZINC000155021393 197014642 /nfs/dbraw/zinc/01/46/42/197014642.db2.gz UMSWHBVAHKQRSK-SNVBAGLBSA-N 1 0 305.765 2.429 50 0 DEAARO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1(C)C ZINC000120721412 195224350 /nfs/dbraw/zinc/22/43/50/195224350.db2.gz VFUJJEPNCCIBBL-GJZGRUSLSA-N 1 0 315.417 2.330 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000262625978 257237608 /nfs/dbraw/zinc/23/76/08/257237608.db2.gz LCEXVUASRCQHOV-SBMIAAHKSA-N 1 0 317.216 2.270 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000237426165 257238779 /nfs/dbraw/zinc/23/87/79/257238779.db2.gz AGYYQFJJKFYKBI-GHMZBOCLSA-N 1 0 320.343 2.102 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237594641 257238898 /nfs/dbraw/zinc/23/88/98/257238898.db2.gz WZIGFEQVUVRLKQ-CMPLNLGQSA-N 1 0 316.323 2.422 50 0 DEAARO Cc1csc(N2CCC(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)CC2)n1 ZINC000237380069 257239100 /nfs/dbraw/zinc/23/91/00/257239100.db2.gz UYPGMZBCBCLXLW-TZMCWYRMSA-N 1 0 322.478 2.006 50 0 DEAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000069697886 184837671 /nfs/dbraw/zinc/83/76/71/184837671.db2.gz FSJBBQGRSNIDCW-MRXNPFEDSA-N 1 0 306.454 2.302 50 0 DEAARO C[C@@H]1C[C@@H](NC(=O)NCCC[C@H]2CCCCO2)C[N@@H+]1C1CC1 ZINC000241897169 533620375 /nfs/dbraw/zinc/62/03/75/533620375.db2.gz TWGJUYFDSQAGRT-IIAWOOMASA-N 1 0 309.454 2.260 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+][C@H](C)CO)cc1 ZINC000185113608 292185835 /nfs/dbraw/zinc/18/58/35/292185835.db2.gz WUQYTLBGOOQQMI-FVQBIDKESA-N 1 0 311.447 2.050 50 0 DEAARO Cc1c(C)c(C)c(S(=O)(=O)NCCC[NH+](C)C)c(C)c1C ZINC000003170049 401722411 /nfs/dbraw/zinc/72/24/11/401722411.db2.gz YNCKKUWFCDROGM-UHFFFAOYSA-N 1 0 312.479 2.459 50 0 DEAARO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007587623 401741629 /nfs/dbraw/zinc/74/16/29/401741629.db2.gz BAEFTPSDUJJLBA-YPMHNXCESA-N 1 0 321.446 2.440 50 0 DEAARO O=C1c2ccccc2C(=O)N1OCC[n+]1ccc2ccccc2c1 ZINC000000180114 401688955 /nfs/dbraw/zinc/68/89/55/401688955.db2.gz KXQUOPFAHUFTQQ-UHFFFAOYSA-N 1 0 319.340 2.355 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000071867497 401689250 /nfs/dbraw/zinc/68/92/50/401689250.db2.gz CYKHNOBTMRYPED-UHFFFAOYSA-N 1 0 312.360 2.196 50 0 DEAARO Cc1ccsc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000071885835 401692223 /nfs/dbraw/zinc/69/22/23/401692223.db2.gz CXUMNRPNPQZEAC-OAHLLOKOSA-N 1 0 321.490 2.299 50 0 DEAARO COC(=O)N1CCC[N@H+](CCCCCn2cc(C)cn2)CC1 ZINC000071897016 401694180 /nfs/dbraw/zinc/69/41/80/401694180.db2.gz VXQNZEXBTNPSLX-UHFFFAOYSA-N 1 0 308.426 2.136 50 0 DEAARO COc1ccc([C@H](CO)[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000071904382 401694888 /nfs/dbraw/zinc/69/48/88/401694888.db2.gz IAHOUNPJRDBEIH-ZWKOTPCHSA-N 1 0 301.386 2.394 50 0 DEAARO OCCCC[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000071922350 401698018 /nfs/dbraw/zinc/69/80/18/401698018.db2.gz WEOGBQLUSBDJNF-UHFFFAOYSA-N 1 0 320.824 2.178 50 0 DEAARO OC[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000000757858 401703083 /nfs/dbraw/zinc/70/30/83/401703083.db2.gz FLIYQTMRXQXXTN-SFHVURJKSA-N 1 0 302.462 2.398 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)N1CCCc2ccccc21)n1cccn1 ZINC000072269797 401704714 /nfs/dbraw/zinc/70/47/14/401704714.db2.gz CNULSQBRHUSBLS-LSDHHAIUSA-N 1 0 312.417 2.402 50 0 DEAARO Cc1nn(CC(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)cc1Cl ZINC000002782142 401718067 /nfs/dbraw/zinc/71/80/67/401718067.db2.gz YUXFILKXBKXYNU-GFCCVEGCSA-N 1 0 314.861 2.468 50 0 DEAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000013674761 401802717 /nfs/dbraw/zinc/80/27/17/401802717.db2.gz SAPXSUKCPCAKRS-UHFFFAOYSA-N 1 0 314.426 2.370 50 0 DEAARO [NH3+][C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1 ZINC000075126111 401750594 /nfs/dbraw/zinc/75/05/94/401750594.db2.gz RHECJAKPBZUWCI-NSHDSACASA-N 1 0 311.263 2.032 50 0 DEAARO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3cnc(C)s3)C2)no1 ZINC000075130854 401750800 /nfs/dbraw/zinc/75/08/00/401750800.db2.gz XAZDMWFTYAAVCW-ZDUSSCGKSA-N 1 0 321.450 2.239 50 0 DEAARO Cc1noc(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000008778361 401756975 /nfs/dbraw/zinc/75/69/75/401756975.db2.gz CVAQGBDLWBBXOR-UHFFFAOYSA-N 1 0 314.389 2.296 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOCC2)[C@@H]1c1cccs1 ZINC000075490005 401760597 /nfs/dbraw/zinc/76/05/97/401760597.db2.gz TVEFHTKJKWRLKO-DZGCQCFKSA-N 1 0 323.462 2.173 50 0 DEAARO CC(=O)Nc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000010134180 401768602 /nfs/dbraw/zinc/76/86/02/401768602.db2.gz IWIHEFZILLVQAB-UHFFFAOYSA-N 1 0 305.422 2.494 50 0 DEAARO O=C1C[C@H]([NH2+]C2Cc3ccccc3C2)C(=O)N1c1ccccc1F ZINC000010493779 401770369 /nfs/dbraw/zinc/77/03/69/401770369.db2.gz DECVFVQOXSIRJF-INIZCTEOSA-N 1 0 324.355 2.215 50 0 DEAARO CC(C)C(=O)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010451201 401770511 /nfs/dbraw/zinc/77/05/11/401770511.db2.gz DNXHGOGUZMGKPU-UHFFFAOYSA-N 1 0 319.474 2.298 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C)C1 ZINC000012080501 401778696 /nfs/dbraw/zinc/77/86/96/401778696.db2.gz IKTWWBOPIQJMLJ-JKSUJKDBSA-N 1 0 321.417 2.010 50 0 DEAARO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000012577209 401788180 /nfs/dbraw/zinc/78/81/80/401788180.db2.gz XNEVRVWAWZVDNB-HUUCEWRRSA-N 1 0 317.433 2.136 50 0 DEAARO CCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000012859864 401792627 /nfs/dbraw/zinc/79/26/27/401792627.db2.gz UWEGKTRBXMEKHT-UHFFFAOYSA-N 1 0 323.462 2.396 50 0 DEAARO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000012900338 401793423 /nfs/dbraw/zinc/79/34/23/401793423.db2.gz JHHWQEQQBYQPJF-UHFFFAOYSA-N 1 0 312.797 2.134 50 0 DEAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012999259 401795381 /nfs/dbraw/zinc/79/53/81/401795381.db2.gz VEHBORBQHMXYCI-PXAZEXFGSA-N 1 0 323.396 2.390 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCCCC3)cn2)CC1 ZINC000020371765 401823673 /nfs/dbraw/zinc/82/36/73/401823673.db2.gz JSNUXHFPMLOPBD-UHFFFAOYSA-N 1 0 302.422 2.352 50 0 DEAARO C[NH+]1CCN([C@H](CNC(=O)NC(C)(C)C)c2ccsc2)CC1 ZINC000022765449 401827196 /nfs/dbraw/zinc/82/71/96/401827196.db2.gz ZSHJIBRHCPCMGQ-CQSZACIVSA-N 1 0 324.494 2.134 50 0 DEAARO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccccc2)cc1OC ZINC000026163427 401839344 /nfs/dbraw/zinc/83/93/44/401839344.db2.gz HLKHITYTLFAIBB-KRWDZBQOSA-N 1 0 314.385 2.063 50 0 DEAARO CC(C)[C@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1cccs1 ZINC000026907968 401842847 /nfs/dbraw/zinc/84/28/47/401842847.db2.gz IKXZJDBUOFBICC-LBPRGKRZSA-N 1 0 309.435 2.365 50 0 DEAARO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccccc1)N1CCc2ccccc21 ZINC000027014469 401843243 /nfs/dbraw/zinc/84/32/43/401843243.db2.gz YDOZOOHBSMWARS-RDTXWAMCSA-N 1 0 309.413 2.254 50 0 DEAARO CC[C@@H]([NH2+]Cc1ccccc1OC)C(=O)Nc1cc(C)on1 ZINC000028621943 401852880 /nfs/dbraw/zinc/85/28/80/401852880.db2.gz LHWYQSBAIJIEKW-CYBMUJFWSA-N 1 0 303.362 2.499 50 0 DEAARO CC[NH+]1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000029607244 401857453 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/nfs/dbraw/zinc/17/05/22/402170522.db2.gz JNUMTTWDQAKBNS-FVQHAEBGSA-N 1 0 314.429 2.262 50 0 DEAARO c1nn2cc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cnc2c1-c1ccccc1 ZINC000067758381 402171532 /nfs/dbraw/zinc/17/15/32/402171532.db2.gz YWIXADGGMIPTCY-CALCHBBNSA-N 1 0 319.412 2.048 50 0 DEAARO COCC(=O)NC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067817904 402173558 /nfs/dbraw/zinc/17/35/58/402173558.db2.gz PFPUAGFVHLXRKV-CQSZACIVSA-N 1 0 315.417 2.143 50 0 DEAARO Cc1noc(C)c1C[N@H+](C)C[C@H](O)COCc1cccs1 ZINC000069150539 402214917 /nfs/dbraw/zinc/21/49/17/402214917.db2.gz QBUOXFKYGMGUOS-ZDUSSCGKSA-N 1 0 310.419 2.362 50 0 DEAARO Cc1nc2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2n1C ZINC000069433822 402223444 /nfs/dbraw/zinc/22/34/44/402223444.db2.gz MQNYFIQJCCCCAA-UHFFFAOYSA-N 1 0 314.433 2.343 50 0 DEAARO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000069437110 402223712 /nfs/dbraw/zinc/22/37/12/402223712.db2.gz APDYKJZNWCQUKL-HUUCEWRRSA-N 1 0 304.438 2.303 50 0 DEAARO COC(=O)N1CCC[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000069459036 402224951 /nfs/dbraw/zinc/22/49/51/402224951.db2.gz CONYTFFGKZONBU-AWEZNQCLSA-N 1 0 319.405 2.165 50 0 DEAARO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069489346 402226192 /nfs/dbraw/zinc/22/61/92/402226192.db2.gz FAYXMHNIRYKKKP-LUKYLMHMSA-N 1 0 324.465 2.046 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000069490083 402226707 /nfs/dbraw/zinc/22/67/07/402226707.db2.gz SFYIMMOYFFQHOM-AWEZNQCLSA-N 1 0 310.405 2.165 50 0 DEAARO Brc1cc(C[NH2+][C@@H]2CCc3ncnn3C2)cs1 ZINC000069581885 402232690 /nfs/dbraw/zinc/23/26/90/402232690.db2.gz ZNWBATJGKKMZSZ-SECBINFHSA-N 1 0 313.224 2.207 50 0 DEAARO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)N1CCCC1)C2 ZINC000069623286 402235360 /nfs/dbraw/zinc/23/53/60/402235360.db2.gz PVTJRGPYWXGKNT-AWEZNQCLSA-N 1 0 302.418 2.454 50 0 DEAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(CCOc2ccccc2F)CC1 ZINC000069652643 402236335 /nfs/dbraw/zinc/23/63/35/402236335.db2.gz 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ZINC000069920171 402250986 /nfs/dbraw/zinc/25/09/86/402250986.db2.gz VPDRCPDQYZNUKD-LSDHHAIUSA-N 1 0 312.417 2.402 50 0 DEAARO COCC[N@@H+]1CCN(CCCOc2ccccc2C)C[C@H]1C ZINC000069948621 402252704 /nfs/dbraw/zinc/25/27/04/402252704.db2.gz IMXLVEMCHGOYIB-QGZVFWFLSA-N 1 0 306.450 2.416 50 0 DEAARO C[C@H]1CN(Cc2cscn2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069979306 402254119 /nfs/dbraw/zinc/25/41/19/402254119.db2.gz GCJBLYOMICXKKJ-YOEHRIQHSA-N 1 0 317.458 2.383 50 0 DEAARO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000070076421 402256791 /nfs/dbraw/zinc/25/67/91/402256791.db2.gz MYSLJPHMTCTLDJ-RKDXNWHRSA-N 1 0 315.186 2.411 50 0 DEAARO CCOC(=O)C1(NC(=O)[C@@H]2CCCCC2(C)C)CC[NH+](C)CC1 ZINC000225721964 402322479 /nfs/dbraw/zinc/32/24/79/402322479.db2.gz SHIGREDHRWZFPO-AWEZNQCLSA-N 1 0 324.465 2.347 50 0 DEAARO COCCN1[C@H](C)C[N@@H+](C[C@H](OC)c2ccccc2)C[C@@H]1C ZINC000225786099 402323900 /nfs/dbraw/zinc/32/39/00/402323900.db2.gz VSOKUUINRNPAGE-JZXOWHBKSA-N 1 0 306.450 2.415 50 0 DEAARO C[C@@H](C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000195573003 402273615 /nfs/dbraw/zinc/27/36/15/402273615.db2.gz DZQCEGIOOTZOLN-SMDDNHRTSA-N 1 0 316.854 2.067 50 0 DEAARO CC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000195573390 402273804 /nfs/dbraw/zinc/27/38/04/402273804.db2.gz CQRABSFCCGZJJX-XJKSGUPXSA-N 1 0 308.397 2.156 50 0 DEAARO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000071397496 402273877 /nfs/dbraw/zinc/27/38/77/402273877.db2.gz OZNGUYQYWKBZLX-MRVPVSSYSA-N 1 0 309.218 2.024 50 0 DEAARO O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N1Cc1ccccc1 ZINC000071606736 402275717 /nfs/dbraw/zinc/27/57/17/402275717.db2.gz XRDKPXBXIRFDDH-ROUUACIJSA-N 1 0 320.392 2.304 50 0 DEAARO CN(C)c1ccc(CN2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000215129960 402280740 /nfs/dbraw/zinc/28/07/40/402280740.db2.gz YVVYKOOVIQNKCV-UHFFFAOYSA-N 1 0 320.506 2.161 50 0 DEAARO OCCCC[NH+]1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000215144264 402281094 /nfs/dbraw/zinc/28/10/94/402281094.db2.gz 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CC(C)(C)c1noc(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000229387265 402343220 /nfs/dbraw/zinc/34/32/20/402343220.db2.gz RNWVXPFHRZWRRU-OLZOCXBDSA-N 1 0 320.437 2.043 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2cccnc2)C[C@H](C)O1 ZINC000229630387 402343783 /nfs/dbraw/zinc/34/37/83/402343783.db2.gz IVVXRIWYKCVZGV-HLLBOEOZSA-N 1 0 317.433 2.072 50 0 DEAARO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCCC[C@H]3C)C2)no1 ZINC000230077201 402347611 /nfs/dbraw/zinc/34/76/11/402347611.db2.gz KWWIEEVMGOSSCZ-HIFRSBDPSA-N 1 0 320.437 2.034 50 0 DEAARO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)[C@@H]2CCO[C@H]21 ZINC000230189313 402348559 /nfs/dbraw/zinc/34/85/59/402348559.db2.gz CAZSVLHAQZIACV-YALNPMBYSA-N 1 0 301.434 2.454 50 0 DEAARO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cncn1C ZINC000177285330 402387522 /nfs/dbraw/zinc/38/75/22/402387522.db2.gz DWEIRKHFJIOASR-INIZCTEOSA-N 1 0 310.442 2.449 50 0 DEAARO Cc1ncsc1CC[N@@H+](C)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000244795570 402449583 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CO[C@]1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1(C)C ZINC000241946739 402443814 /nfs/dbraw/zinc/44/38/14/402443814.db2.gz UNMWEGBAUOAWSP-SFDCQRBFSA-N 1 0 303.468 2.135 50 0 DEAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2sccc2Cl)C1 ZINC000243885688 402446225 /nfs/dbraw/zinc/44/62/25/402446225.db2.gz ABNQOLHKYXBSJP-SNVBAGLBSA-N 1 0 302.827 2.052 50 0 DEAARO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000245835950 402490768 /nfs/dbraw/zinc/49/07/68/402490768.db2.gz DBWYTXDTCWDFCB-AEFFLSMTSA-N 1 0 315.417 2.305 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000178579471 402513596 /nfs/dbraw/zinc/51/35/96/402513596.db2.gz XSBRWEZOEVDRBZ-QMMMGPOBSA-N 1 0 301.159 2.009 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000178514979 402506319 /nfs/dbraw/zinc/50/63/19/402506319.db2.gz AUYDXWDNMPVFAI-SECBINFHSA-N 1 0 303.189 2.179 50 0 DEAARO Cc1c(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cnn1C ZINC000170607111 402507255 /nfs/dbraw/zinc/50/72/55/402507255.db2.gz IQSPILWANGUAMU-KRWDZBQOSA-N 1 0 322.453 2.465 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000178978474 402561508 /nfs/dbraw/zinc/56/15/08/402561508.db2.gz RSTPEFDFJMHVNH-LLVKDONJSA-N 1 0 318.808 2.412 50 0 DEAARO O=C(CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)Nc1cccc(F)c1 ZINC000246278534 402522521 /nfs/dbraw/zinc/52/25/21/402522521.db2.gz SSOWYENEQPUJEM-CVEARBPZSA-N 1 0 322.380 2.034 50 0 DEAARO C[N@H+](CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Cc1ccc(F)cc1 ZINC000189182560 402531704 /nfs/dbraw/zinc/53/17/04/402531704.db2.gz HJVWXLDBCAUEBT-IYBDPMFKSA-N 1 0 316.376 2.209 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1=COCCC1 ZINC000248779665 402608197 /nfs/dbraw/zinc/60/81/97/402608197.db2.gz HWVAMHXHCATELZ-WMLDXEAASA-N 1 0 300.402 2.317 50 0 DEAARO CCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@H]2CC)n1 ZINC000252477847 402653833 /nfs/dbraw/zinc/65/38/33/402653833.db2.gz WKAROOSKCVSYKE-OUCADQQQSA-N 1 0 320.437 2.320 50 0 DEAARO CC(C)(O)C[NH+]1CCN(CCSC2CCCCC2)CC1 ZINC000252493142 402655803 /nfs/dbraw/zinc/65/58/03/402655803.db2.gz MZZDDLMJFAEVFT-UHFFFAOYSA-N 1 0 300.512 2.441 50 0 DEAARO CN1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 ZINC000253417138 402664722 /nfs/dbraw/zinc/66/47/22/402664722.db2.gz VIYCJVJKNSCSMJ-CJNGLKHVSA-N 1 0 305.397 2.180 50 0 DEAARO CC[C@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C[C@]2(CCOC2)O1 ZINC000253428763 402666495 /nfs/dbraw/zinc/66/64/95/402666495.db2.gz LPCNIDHOJRUUBB-ROUUACIJSA-N 1 0 318.417 2.415 50 0 DEAARO O[C@H](C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000253430231 402666569 /nfs/dbraw/zinc/66/65/69/402666569.db2.gz XMHNNOMMFFDVQU-CHWSQXEVSA-N 1 0 323.742 2.243 50 0 DEAARO COc1cc2c(cc1OC)CN([C@@H]1C[NH+]3CCC1CC3)CC2 ZINC000022455640 286259382 /nfs/dbraw/zinc/25/93/82/286259382.db2.gz SWXNFWAVVGLJJF-MRXNPFEDSA-N 1 0 302.418 2.156 50 0 DEAARO CSc1ccccc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000194495959 402800391 /nfs/dbraw/zinc/80/03/91/402800391.db2.gz MBHXAWNMSSPRAT-ZDUSSCGKSA-N 1 0 322.474 2.326 50 0 DEAARO CCCn1nnnc1CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000195531551 402850670 /nfs/dbraw/zinc/85/06/70/402850670.db2.gz AUQRPOFEBALSKN-HZPDHXFCSA-N 1 0 315.421 2.171 50 0 DEAARO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)nn1C ZINC000195571226 402851018 /nfs/dbraw/zinc/85/10/18/402851018.db2.gz XVKSNAOYBLIJQB-OLZOCXBDSA-N 1 0 310.467 2.321 50 0 DEAARO Cc1cc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)no1 ZINC000279585101 402958313 /nfs/dbraw/zinc/95/83/13/402958313.db2.gz NOGXPCORPWOTMF-KBPBESRZSA-N 1 0 316.405 2.454 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269306078 403129561 /nfs/dbraw/zinc/12/95/61/403129561.db2.gz ZBWIBEMOVINKHP-PGUXBMHVSA-N 1 0 308.809 2.229 50 0 DEAARO CC[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000283703298 403216547 /nfs/dbraw/zinc/21/65/47/403216547.db2.gz CURNJPVOWCJEAW-NWDGAFQWSA-N 1 0 317.355 2.382 50 0 DEAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)C1 ZINC000339101551 403354934 /nfs/dbraw/zinc/35/49/34/403354934.db2.gz ADTLKDJIHKCRSM-RAIGVLPGSA-N 1 0 304.394 2.287 50 0 DEAARO Cc1nn(CC(=O)NCC2([NH+]3CCCC3)CCCC2)cc1Cl ZINC000299772971 403570472 /nfs/dbraw/zinc/57/04/72/403570472.db2.gz BQNBTLULEBSVII-UHFFFAOYSA-N 1 0 324.856 2.370 50 0 DEAARO CCc1ncc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)cn1 ZINC000299781052 403572861 /nfs/dbraw/zinc/57/28/61/403572861.db2.gz WFTTUOIFFIPLEF-INIZCTEOSA-N 1 0 312.417 2.462 50 0 DEAARO c1nnn2c1CO[C@H]1CC[N@@H+](Cc3cccc4ncccc34)C[C@@H]12 ZINC000299786960 403574417 /nfs/dbraw/zinc/57/44/17/403574417.db2.gz OLFJNMDYJYEJMQ-ROUUACIJSA-N 1 0 321.384 2.172 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC(OCc2cccc(F)c2)C1 ZINC000299787296 403575600 /nfs/dbraw/zinc/57/56/00/403575600.db2.gz UHRQHEZSWSXHEJ-CQSZACIVSA-N 1 0 320.408 2.428 50 0 DEAARO Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000299796514 403578375 /nfs/dbraw/zinc/57/83/75/403578375.db2.gz OYVUJWGQOOVEGA-INIZCTEOSA-N 1 0 312.417 2.360 50 0 DEAARO Cc1nonc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000299800058 403578561 /nfs/dbraw/zinc/57/85/61/403578561.db2.gz VDPXQBKNAOCLGR-UHFFFAOYSA-N 1 0 318.377 2.133 50 0 DEAARO O=C(c1cc2c(s1)CCOC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289347209 403921514 /nfs/dbraw/zinc/92/15/14/403921514.db2.gz XOUSUWPFSBBHKB-INIZCTEOSA-N 1 0 306.431 2.037 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2nc3ccccc3[nH]2)CC1 ZINC000426523279 405366733 /nfs/dbraw/zinc/36/67/33/405366733.db2.gz YESMWFGCHODPNR-CYBMUJFWSA-N 1 0 300.406 2.048 50 0 DEAARO COc1ccc(OC)c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c1 ZINC000426527619 405366817 /nfs/dbraw/zinc/36/68/17/405366817.db2.gz BESZZDZFXASLIS-FHLIZLRMSA-N 1 0 321.417 2.208 50 0 DEAARO CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ncnn1CC ZINC000426563068 405368992 /nfs/dbraw/zinc/36/89/92/405368992.db2.gz HDGRRWBMTUWNEV-OAHLLOKOSA-N 1 0 315.421 2.241 50 0 DEAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000426597356 405370417 /nfs/dbraw/zinc/37/04/17/405370417.db2.gz FBSLXXVOOZBLOJ-BETUJISGSA-N 1 0 304.365 2.201 50 0 DEAARO CC(C)n1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)n1 ZINC000528640624 405692366 /nfs/dbraw/zinc/69/23/66/405692366.db2.gz PCXDWTWTSPGAGI-INIZCTEOSA-N 1 0 307.438 2.218 50 0 DEAARO C[C@]1(CO)C[N@@H+](Cc2ccc3ncccc3c2)C[C@@]1(C)CO ZINC000528752905 405736693 /nfs/dbraw/zinc/73/66/93/405736693.db2.gz GYMKUEHEZZAFFD-HDICACEKSA-N 1 0 300.402 2.048 50 0 DEAARO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000583650987 405779741 /nfs/dbraw/zinc/77/97/41/405779741.db2.gz CPIWUHSTLNKLHE-CYBMUJFWSA-N 1 0 314.426 2.072 50 0 DEAARO COC(=O)[C@@]1(NCCCF)CCC[N@H+](Cc2ccccc2)C1 ZINC000584908500 405865302 /nfs/dbraw/zinc/86/53/02/405865302.db2.gz BCQIYWDUIQXGMB-QGZVFWFLSA-N 1 0 308.397 2.143 50 0 DEAARO Cc1cnc(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000575315844 406806578 /nfs/dbraw/zinc/80/65/78/406806578.db2.gz CXQRPYTUGMQFFG-SJLPKXTDSA-N 1 0 322.412 2.132 50 0 DEAARO O=C(NCc1cccs1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575415574 406809976 /nfs/dbraw/zinc/80/99/76/406809976.db2.gz AJSQGTCUTWBKEO-CQSZACIVSA-N 1 0 323.462 2.048 50 0 DEAARO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249410865 287140338 /nfs/dbraw/zinc/14/03/38/287140338.db2.gz XVYYPEIDDFIVQM-GOEBONIOSA-N 1 0 322.474 2.321 50 0 DEAARO Cn1cncc1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000132335789 196247290 /nfs/dbraw/zinc/24/72/90/196247290.db2.gz GXESZRCNHNAXAL-CQSZACIVSA-N 1 0 322.771 2.108 50 0 DEAARO Cc1c(C(=O)NC[C@H]2CCC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237515761 225211800 /nfs/dbraw/zinc/21/18/00/225211800.db2.gz ICXINVITJNNAPK-OCCSQVGLSA-N 1 0 319.453 2.067 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000299738829 229372740 /nfs/dbraw/zinc/37/27/40/229372740.db2.gz HADQTNJAMIIKJF-XLTGGDBASA-N 1 0 302.418 2.491 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@H](C1CCCCC1)[NH+](C)C ZINC000045802188 424817983 /nfs/dbraw/zinc/81/79/83/424817983.db2.gz UDTMLBVLSRMGHO-CQSZACIVSA-N 1 0 302.426 2.286 50 0 DEAARO Cc1ccccc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047523526 424826511 /nfs/dbraw/zinc/82/65/11/424826511.db2.gz IXXAEALPWNNHON-UHFFFAOYSA-N 1 0 324.428 2.323 50 0 DEAARO CCC(C)(C)C(=O)N1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048087840 424829424 /nfs/dbraw/zinc/82/94/24/424829424.db2.gz AFNWJRDVZLKZDU-CYBMUJFWSA-N 1 0 321.469 2.147 50 0 DEAARO Cc1ccc[n+](CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 ZINC000101618235 424847095 /nfs/dbraw/zinc/84/70/95/424847095.db2.gz NLJCUJKJIZEBOK-HUUCEWRRSA-N 1 0 319.812 2.190 50 0 DEAARO O=C1C[C@H]([NH2+][C@@H]2CCCc3occc32)CN1CC(F)(F)F ZINC000193004897 424866420 /nfs/dbraw/zinc/86/64/20/424866420.db2.gz CUBZQQDRPYLGDI-GXSJLCMTSA-N 1 0 302.296 2.410 50 0 DEAARO Cc1nnc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)o1 ZINC000220111115 424885250 /nfs/dbraw/zinc/88/52/50/424885250.db2.gz CYCVEUBWDJSHMZ-QGZVFWFLSA-N 1 0 312.417 2.053 50 0 DEAARO CN(CC[NH+](C)C)C(=O)CO[C@@H](c1ccccc1)C(F)(F)F ZINC000244601804 424886434 /nfs/dbraw/zinc/88/64/34/424886434.db2.gz DSALFLHLEONAMK-AWEZNQCLSA-N 1 0 318.339 2.327 50 0 DEAARO C[N@H+](CCNc1cc([C@@H]2CCOC2)ncn1)CC1=CCCCC1 ZINC000426370972 425001540 /nfs/dbraw/zinc/00/15/40/425001540.db2.gz KRRUGXJZUASLIO-MRXNPFEDSA-N 1 0 316.449 2.825 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H]3CCCO3)C2)c1 ZINC000248153454 274098403 /nfs/dbraw/zinc/09/84/03/274098403.db2.gz YLGIAIXDRWULOF-GOEBONIOSA-N 1 0 320.433 2.393 50 0 DEAARO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000242677028 275521603 /nfs/dbraw/zinc/52/16/03/275521603.db2.gz SVSJLQFWKYTFNL-CABCVRRESA-N 1 0 306.406 2.004 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)c1ccco1 ZINC000075124627 276113474 /nfs/dbraw/zinc/11/34/74/276113474.db2.gz DQPKYILWACKBQM-AWEZNQCLSA-N 1 0 317.389 2.089 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCCN(c2ccccc2C)CC1 ZINC000091603627 277511894 /nfs/dbraw/zinc/51/18/94/277511894.db2.gz VZJFTTYPSKWPJG-HNNXBMFYSA-N 1 0 321.490 2.114 50 0 DEAARO CS[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@@H]1[NH+](C)C ZINC000340590344 278150711 /nfs/dbraw/zinc/15/07/11/278150711.db2.gz MYJPNHSQSQZBDP-IJEWVQPXSA-N 1 0 320.458 2.057 50 0 DEAARO C[C@@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000067962620 278204097 /nfs/dbraw/zinc/20/40/97/278204097.db2.gz SDHCVMMWWINKIQ-GUYCJALGSA-N 1 0 323.396 2.218 50 0 DEAARO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2nc(C3CC3)no2)CC1 ZINC000247083247 278395806 /nfs/dbraw/zinc/39/58/06/278395806.db2.gz HCXKBCOVUNQYBX-CHWSQXEVSA-N 1 0 322.453 2.033 50 0 DEAARO CC[NH+](CC)CCNC(=O)CN1C[C@@H](C)Sc2ccccc21 ZINC000021093731 279105386 /nfs/dbraw/zinc/10/53/86/279105386.db2.gz QSDPHQMAHYOGQC-CQSZACIVSA-N 1 0 321.490 2.445 50 0 DEAARO C[C@@]1(CNC(=O)N2CCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000365722389 279160159 /nfs/dbraw/zinc/16/01/59/279160159.db2.gz YIQUBDQZPCXVNI-KRWDZBQOSA-N 1 0 303.406 2.388 50 0 DEAARO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000058209694 288165469 /nfs/dbraw/zinc/16/54/69/288165469.db2.gz JUAAMOIEKHZJIT-HUUCEWRRSA-N 1 0 303.406 2.230 50 0 DEAARO Cc1ccccc1C1(O)CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000095406264 281336544 /nfs/dbraw/zinc/33/65/44/281336544.db2.gz GIRLBIFUXJIRTG-QGZVFWFLSA-N 1 0 316.445 2.288 50 0 DEAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000057924657 281821550 /nfs/dbraw/zinc/82/15/50/281821550.db2.gz ZGCWRNAAFCGMGK-DLBZAZTESA-N 1 0 323.481 2.319 50 0 DEAARO C[NH+](C)CC1(CNC(=O)N[C@H](CO)c2ccccc2)CCCC1 ZINC000185181764 282072263 /nfs/dbraw/zinc/07/22/63/282072263.db2.gz JENCYGLLYUMCOT-MRXNPFEDSA-N 1 0 319.449 2.141 50 0 DEAARO COc1cccc(OC)c1OC[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000004337767 295309805 /nfs/dbraw/zinc/30/98/05/295309805.db2.gz ZFYZNUCKNAWSDJ-KBPBESRZSA-N 1 0 309.406 2.487 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000237918267 303469955 /nfs/dbraw/zinc/46/99/55/303469955.db2.gz GYCJBECZHNPYHZ-JHJVBQTASA-N 1 0 309.207 2.112 50 0 DEAARO Cc1cccc([C@@H](CNC(=O)CCc2ccno2)[NH+](C)C)c1 ZINC000534577777 334288332 /nfs/dbraw/zinc/28/83/32/334288332.db2.gz ITUSLDDCSPZSMF-MRXNPFEDSA-N 1 0 301.390 2.335 50 0 DEAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccccc1-c1ccccc1 ZINC000534652344 334312529 /nfs/dbraw/zinc/31/25/29/334312529.db2.gz ORDUPLYIDOGDSV-IRXDYDNUSA-N 1 0 311.385 2.462 50 0 DEAARO Cc1ccn(CC(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)n1 ZINC000534664681 334318196 /nfs/dbraw/zinc/31/81/96/334318196.db2.gz JTWNKRITASYUEU-INIZCTEOSA-N 1 0 300.406 2.001 50 0 DEAARO Cn1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534665538 334318942 /nfs/dbraw/zinc/31/89/42/334318942.db2.gz PHMYBXWGHLWURM-NSHDSACASA-N 1 0 310.829 2.068 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000022999742 337350850 /nfs/dbraw/zinc/35/08/50/337350850.db2.gz XLTUUNBSHSDKNT-UHFFFAOYSA-N 1 0 308.856 2.022 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000299740179 533739656 /nfs/dbraw/zinc/73/96/56/533739656.db2.gz WQGRQOJXKVJCBN-STECZYCISA-N 1 0 302.418 2.385 50 0 DEAARO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000239672546 525233459 /nfs/dbraw/zinc/23/34/59/525233459.db2.gz BTVGVFKDVMJOPR-CAOSSQGBSA-N 1 0 317.495 2.263 50 0 DEAARO CC[N@H+](C)[C@H](C)C(=O)NCc1cc(-c2cccc(F)c2)no1 ZINC000426690241 527864920 /nfs/dbraw/zinc/86/49/20/527864920.db2.gz GUBXFLWXGROPKD-LLVKDONJSA-N 1 0 305.353 2.437 50 0 DEAARO CCn1nnc(C)c1C[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000449251691 535918050 /nfs/dbraw/zinc/91/80/50/535918050.db2.gz SIHLEJZJSWGITA-PBHICJAKSA-N 1 0 301.438 2.387 50 0 DEAARO Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)n1 ZINC000052429717 625175106 /nfs/dbraw/zinc/17/51/06/625175106.db2.gz XNJZXJIUMXNYCL-UHFFFAOYSA-N 1 0 309.413 2.487 50 0 DEAARO CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc(C)cn2)CC1 ZINC000888094058 635495780 /nfs/dbraw/zinc/49/57/80/635495780.db2.gz ZWGMYRLTPDNHAH-HNNXBMFYSA-N 1 0 321.469 2.096 50 0 DEAARO Nc1n[nH]c([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)n1 ZINC000888096317 635529750 /nfs/dbraw/zinc/52/97/50/635529750.db2.gz ALTIPFSYZLATNM-QWHCGFSZSA-N 1 0 305.426 2.058 50 0 DEAARO C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccccc1Nc1ccccc1 ZINC000888096734 635533876 /nfs/dbraw/zinc/53/38/76/635533876.db2.gz OKFQYRFDWLXLEL-OAHLLOKOSA-N 1 0 313.401 2.083 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000748347741 638543421 /nfs/dbraw/zinc/54/34/21/638543421.db2.gz BTGUGWMOVGLOAO-MRXNPFEDSA-N 1 0 315.461 2.449 50 0 DEAARO Cc1oc2c(c1C(=O)N1CCOCC1)C[N@H+](CCC(C)C)CC2 ZINC000169748636 646627736 /nfs/dbraw/zinc/62/77/36/646627736.db2.gz YTXFUTQFTZISAP-UHFFFAOYSA-N 1 0 320.433 2.465 50 0 DEAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 ZINC000015065249 683849836 /nfs/dbraw/zinc/84/98/36/683849836.db2.gz RQVNVVWLGDSAHS-DEKXCNBGSA-N 1 0 307.482 2.219 50 0 DEAARO c1cn(-c2ncccc2C[NH2+]C2CSCCSC2)cn1 ZINC000059311950 683922705 /nfs/dbraw/zinc/92/27/05/683922705.db2.gz FWKKEWRECCSABH-UHFFFAOYSA-N 1 0 306.460 2.206 50 0 DEAARO O=c1[nH]c2cc3c(cc2cc1C[N@H+]1CCC[C@@H](CO)C1)CCC3 ZINC000067975649 683925626 /nfs/dbraw/zinc/92/56/26/683925626.db2.gz OFBHTJKYCWAEHZ-CYBMUJFWSA-N 1 0 312.413 2.221 50 0 DEAARO COC(=O)CN1CCC[N@H+](C/C(C)=C/c2ccccc2)CC1 ZINC000095982755 684053410 /nfs/dbraw/zinc/05/34/10/684053410.db2.gz TYQCLPNDUSPHRE-DTQAZKPQSA-N 1 0 302.418 2.271 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000098007739 684055470 /nfs/dbraw/zinc/05/54/70/684055470.db2.gz APHAVSNSLUJRKX-PKYBCLHXSA-N 1 0 314.429 2.483 50 0 DEAARO Cc1cccc([C@@H](C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1C ZINC000863981878 686601414 /nfs/dbraw/zinc/60/14/14/686601414.db2.gz QKSHAAXAQIQOQY-QAPCUYQASA-N 1 0 304.434 2.327 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(C(F)(F)F)on1 ZINC000864094552 686618597 /nfs/dbraw/zinc/61/85/97/686618597.db2.gz XOTHTWPMIQNDQL-SECBINFHSA-N 1 0 322.331 2.223 50 0 DEAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000581807548 777831234 /nfs/dbraw/zinc/83/12/34/777831234.db2.gz JEINQSWBGIWJIP-AWEZNQCLSA-N 1 0 323.400 2.474 50 0 DEAARO Cc1nnc([C@H]2C[NH2+]CC23CCN(C(=O)OC(C)(C)C)CC3)o1 ZINC000675013660 778332892 /nfs/dbraw/zinc/33/28/92/778332892.db2.gz AUPXTSLWSBHDQL-GFCCVEGCSA-N 1 0 322.409 2.082 50 0 DEAARO COc1ccc(OC)c(CNC(=O)C[NH+]2CCCCCC2)c1 ZINC000824716799 783603196 /nfs/dbraw/zinc/60/31/96/783603196.db2.gz WSEPYVOJVKYXHB-UHFFFAOYSA-N 1 0 306.406 2.196 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cc(-c2ccccc2)no1 ZINC000828231223 783774925 /nfs/dbraw/zinc/77/49/25/783774925.db2.gz JLLIFBIBTGVNNW-UHFFFAOYSA-N 1 0 322.368 2.309 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC000581813044 784784869 /nfs/dbraw/zinc/78/48/69/784784869.db2.gz NWMZCCMJROBYPU-UHFFFAOYSA-N 1 0 305.403 2.047 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000581808503 784785712 /nfs/dbraw/zinc/78/57/12/784785712.db2.gz SXCIPZYUIPBFJL-MRXNPFEDSA-N 1 0 317.433 2.344 50 0 DEAARO CCC(=O)N1CCC(Cc2[nH+]cc(C)n2CCCOC)CC1 ZINC000581817086 784789517 /nfs/dbraw/zinc/78/95/17/784789517.db2.gz ZIROUFBZJLUXFN-UHFFFAOYSA-N 1 0 307.438 2.419 50 0 DEAARO Cc1c[nH+]c(C)n1CCC1CCN(C(=O)c2ccnn2C)CC1 ZINC000581813898 784789999 /nfs/dbraw/zinc/78/99/99/784789999.db2.gz KXKRHSXUWYCKKX-UHFFFAOYSA-N 1 0 315.421 2.176 50 0 DEAARO CC[N@H+](C)[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 ZINC000952845717 792776131 /nfs/dbraw/zinc/77/61/31/792776131.db2.gz JSRUVYHDQOZZLH-AWEZNQCLSA-N 1 0 312.417 2.378 50 0 DEAARO c1c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)nc2n1CCS2 ZINC000952969775 792823894 /nfs/dbraw/zinc/82/38/94/792823894.db2.gz GGXKNCDKIGTXQS-CYBMUJFWSA-N 1 0 300.431 2.357 50 0 DEAARO COCCCN(Cc1cccc(OC)c1)C(=O)C1([NH3+])CCCC1 ZINC000952989029 792869346 /nfs/dbraw/zinc/86/93/46/792869346.db2.gz RWLVUFISYFBYBX-UHFFFAOYSA-N 1 0 320.433 2.332 50 0 DEAARO Clc1ccncc1C[NH2+]CCn1cc(Br)cn1 ZINC000952995612 792895090 /nfs/dbraw/zinc/89/50/90/792895090.db2.gz RPQPJRKYUPWWMW-UHFFFAOYSA-N 1 0 315.602 2.484 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)[nH]n1 ZINC001529152398 1070885462 /nfs/dbraw/zinc/88/54/62/1070885462.db2.gz SVEJHLKOTDNSNX-RHSMWYFYSA-N 1 0 311.385 2.500 50 0 DEAARO Cc1nc(C)n(CCC[NH2+]C2CCN(Cc3ccco3)CC2)n1 ZINC001506395539 1061934619 /nfs/dbraw/zinc/93/46/19/1061934619.db2.gz JLLUFGZLEWSZPM-UHFFFAOYSA-N 1 0 317.437 2.132 50 0 DEAARO Fc1ccc2[nH]c(C3CC[NH+](CCn4cnnc4)CC3)nc2c1 ZINC001506398149 1061936195 /nfs/dbraw/zinc/93/61/95/1061936195.db2.gz WZWBWEALJSXVEV-UHFFFAOYSA-N 1 0 314.368 2.173 50 0 DEAARO O=C(C1CCC1)N1CCC[N@@H+](C2CSCCSC2)CC1 ZINC001506396453 1061936422 /nfs/dbraw/zinc/93/64/22/1061936422.db2.gz TWKMNLVUOKCCIA-UHFFFAOYSA-N 1 0 314.520 2.169 50 0 DEAARO Cc1cccnc1CC[NH2+][C@@H]1CCC(=O)N(CC2CC2)CC1 ZINC001506413782 1061957741 /nfs/dbraw/zinc/95/77/41/1061957741.db2.gz KZFKGAXZCYQPEE-MRXNPFEDSA-N 1 0 301.434 2.313 50 0 DEAARO Cc1ccc(N2CCC([NH2+][C@H]3CC(=O)N(C)C3)CC2)cc1Cl ZINC001506415978 1061959545 /nfs/dbraw/zinc/95/95/45/1061959545.db2.gz FQUQCWZRHXBLMN-AWEZNQCLSA-N 1 0 321.852 2.438 50 0 DEAARO Cc1cc(N2CCC(CNC(=O)c3ccncc3)CC2)cc[nH+]1 ZINC001506427998 1061973257 /nfs/dbraw/zinc/97/32/57/1061973257.db2.gz WRGAJQOKHQHINW-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/37/72/76/185377276.db2.gz LZFFCKBLLKUPQY-MRXNPFEDSA-N 1 0 308.397 2.097 50 0 DEAARO O=C(c1ccncc1F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095522690 185377530 /nfs/dbraw/zinc/37/75/30/185377530.db2.gz FUTSEUCRFNLVPP-ZIAGYGMSSA-N 1 0 303.381 2.167 50 0 DEAARO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCN3C(=O)CCC3=O)C2)cc1 ZINC000278394303 214139253 /nfs/dbraw/zinc/13/92/53/214139253.db2.gz FIEURRUQYJEZSK-HOCLYGCPSA-N 1 0 300.402 2.322 50 0 DEAARO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000079062773 185151841 /nfs/dbraw/zinc/15/18/41/185151841.db2.gz GIOJDLAYDXAROM-HNNXBMFYSA-N 1 0 316.405 2.088 50 0 DEAARO COC[C@@H](O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189806221 536730577 /nfs/dbraw/zinc/73/05/77/536730577.db2.gz ZNPXHOMBMIQTSF-AWEZNQCLSA-N 1 0 304.390 2.323 50 0 DEAARO CC[NH+]1CCC(NC(=O)Nc2ccc(-c3ncno3)cc2)CC1 ZINC000089977197 185272955 /nfs/dbraw/zinc/27/29/55/185272955.db2.gz SETNWIUDQWJITL-UHFFFAOYSA-N 1 0 315.377 2.342 50 0 DEAARO CC[N@@H+]1CCCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)CC1 ZINC000089977258 185273049 /nfs/dbraw/zinc/27/30/49/185273049.db2.gz GVQXXOYRZVXSSL-UHFFFAOYSA-N 1 0 319.449 2.107 50 0 DEAARO Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000095408045 185356472 /nfs/dbraw/zinc/35/64/72/185356472.db2.gz HMLXXHAAPVWQLL-VSONXHSHSA-N 1 0 324.856 2.384 50 0 DEAARO CC(C)([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000095431851 185363344 /nfs/dbraw/zinc/36/33/44/185363344.db2.gz BCPYXXWOJXIQNY-CQSZACIVSA-N 1 0 310.825 2.148 50 0 DEAARO Cc1cnc(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000095442886 185366680 /nfs/dbraw/zinc/36/66/80/185366680.db2.gz CGXJWDOADFGHCU-MRXNPFEDSA-N 1 0 315.442 2.296 50 0 DEAARO CS[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1[NH+](C)C ZINC000095444668 185366977 /nfs/dbraw/zinc/36/69/77/185366977.db2.gz FUSQRXDOIVTXDV-JKSUJKDBSA-N 1 0 317.458 2.145 50 0 DEAARO COc1ccccc1N1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095464135 185371416 /nfs/dbraw/zinc/37/14/16/185371416.db2.gz YANCYTNCOVIYGS-HNNXBMFYSA-N 1 0 314.433 2.414 50 0 DEAARO COc1ccccc1N1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095464134 185371628 /nfs/dbraw/zinc/37/16/28/185371628.db2.gz YANCYTNCOVIYGS-OAHLLOKOSA-N 1 0 314.433 2.414 50 0 DEAARO [NH3+][C@@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 ZINC000095466792 185372104 /nfs/dbraw/zinc/37/21/04/185372104.db2.gz IVXCZCZTIFLMJS-DLBZAZTESA-N 1 0 314.385 2.487 50 0 DEAARO Nc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000097019521 185398079 /nfs/dbraw/zinc/39/80/79/185398079.db2.gz TTZFTSKUIODTPC-SECBINFHSA-N 1 0 301.312 2.099 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000408521831 529966193 /nfs/dbraw/zinc/96/61/93/529966193.db2.gz MKBAHSUKDQJTFQ-IQIBNGDESA-N 1 0 300.402 2.187 50 0 DEAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000084317557 539394295 /nfs/dbraw/zinc/39/42/95/539394295.db2.gz CSRLJXNMDCXPKB-CZUORRHYSA-N 1 0 315.373 2.016 50 0 DEAARO COc1ccc(-c2nnc(CNC[C@@H](C(C)C)[NH+](C)C)o2)cc1 ZINC000058342011 190691839 /nfs/dbraw/zinc/69/18/39/190691839.db2.gz HDKXXJMQCNEGLV-HNNXBMFYSA-N 1 0 318.421 2.421 50 0 DEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000063845107 190699258 /nfs/dbraw/zinc/69/92/58/190699258.db2.gz VNJDYUINUSZEDM-NSHDSACASA-N 1 0 310.781 2.453 50 0 DEAARO CC(C)C[NH+]1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067805841 190724178 /nfs/dbraw/zinc/72/41/78/190724178.db2.gz UWKRMTUVTAHSLH-UHFFFAOYSA-N 1 0 314.433 2.471 50 0 DEAARO CC(C)c1noc(CCC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000069779932 190818077 /nfs/dbraw/zinc/81/80/77/190818077.db2.gz XBDMREVTHXVPPQ-KBPBESRZSA-N 1 0 320.437 2.211 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000070173449 190866804 /nfs/dbraw/zinc/86/68/04/190866804.db2.gz LHOCAUSNPDVUIH-VHSXEESVSA-N 1 0 320.817 2.227 50 0 DEAARO CC(C)(C(=O)NC[C@@H](O)c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000170059815 539614184 /nfs/dbraw/zinc/61/41/84/539614184.db2.gz UTBZXVTUGZMIDO-IUODEOHRSA-N 1 0 308.397 2.001 50 0 DEAARO COc1ccc(OC2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000072131768 191045658 /nfs/dbraw/zinc/04/56/58/191045658.db2.gz YDMRILSGWQITRW-UHFFFAOYSA-N 1 0 301.390 2.472 50 0 DEAARO CCn1cc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)cn1 ZINC000072148017 191054268 /nfs/dbraw/zinc/05/42/68/191054268.db2.gz UAXXUIVPUSQFGE-KRWDZBQOSA-N 1 0 300.406 2.479 50 0 DEAARO CCn1cc(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cn1 ZINC000253394610 186304454 /nfs/dbraw/zinc/30/44/54/186304454.db2.gz NMGWKEJFRIWBPC-SJORKVTESA-N 1 0 303.381 2.393 50 0 DEAARO Cc1cccc(C)c1OCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902468 198005503 /nfs/dbraw/zinc/00/55/03/198005503.db2.gz AROOCJKOOLSLPE-INIZCTEOSA-N 1 0 317.433 2.172 50 0 DEAARO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072457649 191172638 /nfs/dbraw/zinc/17/26/38/191172638.db2.gz NDSWWYWEAKIYAP-AWEZNQCLSA-N 1 0 306.450 2.299 50 0 DEAARO Cc1nccn1CC(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000299755032 539859713 /nfs/dbraw/zinc/85/97/13/539859713.db2.gz BWRAIGCAOQJVQH-MRXNPFEDSA-N 1 0 300.406 2.001 50 0 DEAARO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000072511901 191184603 /nfs/dbraw/zinc/18/46/03/191184603.db2.gz QBPOZBYNJROAQB-SFYZADRCSA-N 1 0 307.341 2.481 50 0 DEAARO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cnn2c1CCC2 ZINC000333844806 539973522 /nfs/dbraw/zinc/97/35/22/539973522.db2.gz OYRXWJHCSHPXKE-UHFFFAOYSA-N 1 0 317.418 2.005 50 0 DEAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)N1CCOCC1 ZINC000036098492 354164463 /nfs/dbraw/zinc/16/44/63/354164463.db2.gz DPSYPASKBCEVQC-MRXNPFEDSA-N 1 0 321.396 2.004 50 0 DEAARO CC(C)(C)[NH2+]C[C@@H](O)COCCOc1ccc(Cl)cc1 ZINC000004279119 181091523 /nfs/dbraw/zinc/09/15/23/181091523.db2.gz ICXIHNYPZLKPRL-CYBMUJFWSA-N 1 0 301.814 2.484 50 0 DEAARO Cc1ccc[n+](CCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 ZINC000004507386 181117835 /nfs/dbraw/zinc/11/78/35/181117835.db2.gz NLJCUJKJIZEBOK-GJZGRUSLSA-N 1 0 319.812 2.190 50 0 DEAARO CO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000074758853 191355787 /nfs/dbraw/zinc/35/57/87/191355787.db2.gz KZIONSYMPNOCGX-HZPDHXFCSA-N 1 0 311.470 2.317 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccn3C)C2)c1 ZINC000078996554 355289903 /nfs/dbraw/zinc/28/99/03/355289903.db2.gz ZCQSINGKGFQTIG-AWEZNQCLSA-N 1 0 315.417 2.411 50 0 DEAARO COc1ccc2c(ccn2CC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000078894524 355283280 /nfs/dbraw/zinc/28/32/80/355283280.db2.gz CFVSJHPZYGKMET-SUMWQHHRSA-N 1 0 315.417 2.058 50 0 DEAARO Cc1cc(Cl)c(OCCOCC[NH2+]CCO)c(Cl)c1 ZINC000005042578 181195093 /nfs/dbraw/zinc/19/50/93/181195093.db2.gz XDDARGAZLKFZJN-UHFFFAOYSA-N 1 0 308.205 2.279 50 0 DEAARO COc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000084714952 355485374 /nfs/dbraw/zinc/48/53/74/355485374.db2.gz YFQQPIPOHLYFTN-CJNGLKHVSA-N 1 0 302.418 2.432 50 0 DEAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cccc(F)c2F)C1 ZINC000077356772 191699869 /nfs/dbraw/zinc/69/98/69/191699869.db2.gz WESLYWJCWAGNPO-QGZVFWFLSA-N 1 0 310.388 2.388 50 0 DEAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)o1 ZINC000093133864 355668914 /nfs/dbraw/zinc/66/89/14/355668914.db2.gz CQAQDCJMJYOKNG-ZDUSSCGKSA-N 1 0 316.405 2.343 50 0 DEAARO COC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1C ZINC000092256818 355623634 /nfs/dbraw/zinc/62/36/34/355623634.db2.gz KAPZMVVVQXCBSU-ZDUSSCGKSA-N 1 0 302.212 2.197 50 0 DEAARO CCN1C(=O)N[C@](C)([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)C1=O ZINC000095402616 355696990 /nfs/dbraw/zinc/69/69/90/355696990.db2.gz JHNZJGVWGILEAH-GRDNDAEWSA-N 1 0 305.422 2.138 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccncc1 ZINC000097370716 355704485 /nfs/dbraw/zinc/70/44/85/355704485.db2.gz LYDJBNOSDBYJAY-LLVKDONJSA-N 1 0 305.328 2.327 50 0 DEAARO O[C@H](C[N@@H+]1CCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000106843447 355726130 /nfs/dbraw/zinc/72/61/30/355726130.db2.gz PIRBFAVZGTWXPV-CZUORRHYSA-N 1 0 307.344 2.359 50 0 DEAARO C[NH+]1CCC(C)(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000170081393 355985966 /nfs/dbraw/zinc/98/59/66/355985966.db2.gz 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ZINC000229555353 356282156 /nfs/dbraw/zinc/28/21/56/356282156.db2.gz MCMFPPSTLUDIQF-KZNAEPCWSA-N 1 0 320.408 2.334 50 0 DEAARO O=C(C1CCC([NH2+]C[C@H]2CCC=CO2)CC1)N1CCSCC1 ZINC000225583420 356276330 /nfs/dbraw/zinc/27/63/30/356276330.db2.gz DPTADEPXAAKINJ-UYSNPLJNSA-N 1 0 324.490 2.403 50 0 DEAARO CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000252477794 356334069 /nfs/dbraw/zinc/33/40/69/356334069.db2.gz VPEVIOBGWRHLJO-QAETUUGQSA-N 1 0 323.481 2.173 50 0 DEAARO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOC[C@H]2C)cc1 ZINC000253369945 356336465 /nfs/dbraw/zinc/33/64/65/356336465.db2.gz KJJIHTWDAAPXTB-KFWWJZLASA-N 1 0 319.449 2.405 50 0 DEAARO CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000236959800 202095686 /nfs/dbraw/zinc/09/56/86/202095686.db2.gz HOZIQTKDWJXTRJ-LLVKDONJSA-N 1 0 312.797 2.303 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CCC[NH2+]CC2)cc1OC ZINC000237055866 202138127 /nfs/dbraw/zinc/13/81/27/202138127.db2.gz RVRSWDCYAGMQQZ-UHFFFAOYSA-N 1 0 312.797 2.183 50 0 DEAARO CO[C@@H](C[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1)C1CCCCC1 ZINC000585094273 540256234 /nfs/dbraw/zinc/25/62/34/540256234.db2.gz ABZPJOIKIOBYTR-CVEARBPZSA-N 1 0 322.453 2.262 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237094773 202152444 /nfs/dbraw/zinc/15/24/44/202152444.db2.gz JXZUECHFMIYREF-LBPRGKRZSA-N 1 0 316.323 2.338 50 0 DEAARO CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000237169949 202174343 /nfs/dbraw/zinc/17/43/43/202174343.db2.gz PJXYPAMUIGQJPT-SNVBAGLBSA-N 1 0 302.296 2.153 50 0 DEAARO Cc1ncn(C)c1C(=O)N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000584884056 357324489 /nfs/dbraw/zinc/32/44/89/357324489.db2.gz SBQGQGWMUGVENL-AWEZNQCLSA-N 1 0 304.438 2.065 50 0 DEAARO Cc1ncn(C)c1C(=O)N(C)Cc1cccc(C[NH+](C)C)c1 ZINC000584889211 357326161 /nfs/dbraw/zinc/32/61/61/357326161.db2.gz IARJJCIWBPFEJJ-UHFFFAOYSA-N 1 0 300.406 2.062 50 0 DEAARO CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1 ZINC000584896191 357329212 /nfs/dbraw/zinc/32/92/12/357329212.db2.gz IYSIOKYCGQMDLK-OAHLLOKOSA-N 1 0 322.449 2.053 50 0 DEAARO C[C@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1ncnn1C ZINC000584898028 357329543 /nfs/dbraw/zinc/32/95/43/357329543.db2.gz JGYLUFADTFOWIM-LBPRGKRZSA-N 1 0 303.385 2.274 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccccc2C(C)(C)C)C1 ZINC000178996702 198966588 /nfs/dbraw/zinc/96/65/88/198966588.db2.gz IJVHDWUOUYRATM-AWEZNQCLSA-N 1 0 304.434 2.431 50 0 DEAARO O=C1C[C@]2(CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)CN1 ZINC000668084818 540581426 /nfs/dbraw/zinc/58/14/26/540581426.db2.gz XNULYTYMURQMNX-QGZVFWFLSA-N 1 0 304.365 2.079 50 0 DEAARO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@]1(CO)CCOC1 ZINC000188405672 200241458 /nfs/dbraw/zinc/24/14/58/200241458.db2.gz CPQFJVKAAJYDRP-FZMZJTMJSA-N 1 0 314.223 2.121 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000237863469 202372636 /nfs/dbraw/zinc/37/26/36/202372636.db2.gz MOHNWBYUDMGKDF-TZMCWYRMSA-N 1 0 323.387 2.131 50 0 DEAARO C[NH+]1CCC(N(CCO)Cc2ccc(Cl)cc2F)CC1 ZINC000189014705 200336032 /nfs/dbraw/zinc/33/60/32/200336032.db2.gz LWSNYTDYVDHREK-UHFFFAOYSA-N 1 0 300.805 2.368 50 0 DEAARO CC[NH+](CC)CCOC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000005952395 181300240 /nfs/dbraw/zinc/30/02/40/181300240.db2.gz QKHAFIKEAYPZLB-CQSZACIVSA-N 1 0 322.430 2.375 50 0 DEAARO O=C1OCc2ccc(-c3ccc(C[N@H+]4CC[C@H](CO)C4)o3)cc21 ZINC000670450809 540935212 /nfs/dbraw/zinc/93/52/12/540935212.db2.gz DNXDEFMXKODSIE-LBPRGKRZSA-N 1 0 313.353 2.431 50 0 DEAARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc2c1OCCO2 ZINC000195543298 201403247 /nfs/dbraw/zinc/40/32/47/201403247.db2.gz QWDIEWVFYDHMET-YHWZYXNKSA-N 1 0 302.374 2.317 50 0 DEAARO O=C(NCC[C@H]1CCc2ccccc2N1)[C@H]1CCn2ccnc2C1 ZINC000623180268 364907741 /nfs/dbraw/zinc/90/77/41/364907741.db2.gz XVEHFIPSPKJHHG-JKSUJKDBSA-N 1 0 324.428 2.379 50 0 DEAARO O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)CN1CCO ZINC000091847979 193116659 /nfs/dbraw/zinc/11/66/59/193116659.db2.gz VOLREQISFMHWFS-UHFFFAOYSA-N 1 0 320.408 2.023 50 0 DEAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)C[NH3+])C1 ZINC000091907659 193124592 /nfs/dbraw/zinc/12/45/92/193124592.db2.gz BXHFVCBJIPJBRY-AWEZNQCLSA-N 1 0 316.380 2.100 50 0 DEAARO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000091921485 193126921 /nfs/dbraw/zinc/12/69/21/193126921.db2.gz MYFLXYLHDPJBBF-KBPBESRZSA-N 1 0 306.406 2.127 50 0 DEAARO CC(C)Oc1ccc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)cc1CO ZINC000092022374 193143448 /nfs/dbraw/zinc/14/34/48/193143448.db2.gz OHAAOTSGILVPQF-SJORKVTESA-N 1 0 304.434 2.135 50 0 DEAARO C(O[C@H]1CCOC[C@H]1[NH2+]C1CSCCSC1)C1CC1 ZINC000220237066 201572426 /nfs/dbraw/zinc/57/24/26/201572426.db2.gz UXZOQSVOVJWEAR-KGLIPLIRSA-N 1 0 303.493 2.009 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000252671420 202868574 /nfs/dbraw/zinc/86/85/74/202868574.db2.gz VSEJRDOEDBUTDA-RBSFLKMASA-N 1 0 316.401 2.249 50 0 DEAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(C)C)C1 ZINC000093360875 193238133 /nfs/dbraw/zinc/23/81/33/193238133.db2.gz OEKYUMMEVUFCOS-OAHLLOKOSA-N 1 0 320.433 2.440 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000095973576 193468462 /nfs/dbraw/zinc/46/84/62/193468462.db2.gz ZIODFZMKTBWMGZ-WMZOPIPTSA-N 1 0 305.418 2.338 50 0 DEAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3cccn3)ccc2NC1=O ZINC000095985456 193478302 /nfs/dbraw/zinc/47/83/02/193478302.db2.gz NAQYSBSSCLVLEC-DOMZBBRYSA-N 1 0 314.389 2.343 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 ZINC000096439329 193644788 /nfs/dbraw/zinc/64/47/88/193644788.db2.gz BHKGLOWGNHMNOH-HOCLYGCPSA-N 1 0 321.469 2.014 50 0 DEAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000008307188 181545721 /nfs/dbraw/zinc/54/57/21/181545721.db2.gz NATXJZZDKKGXKY-GOSISDBHSA-N 1 0 316.445 2.236 50 0 DEAARO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000009477436 181623680 /nfs/dbraw/zinc/62/36/80/181623680.db2.gz WKLFFLXNCUJTNE-UHFFFAOYSA-N 1 0 317.414 2.292 50 0 DEAARO CC(C)C[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014541255 181956604 /nfs/dbraw/zinc/95/66/04/181956604.db2.gz AIFUFSJOWBOZDA-CQSZACIVSA-N 1 0 318.465 2.149 50 0 DEAARO CCNC(=O)[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000015594031 182008793 /nfs/dbraw/zinc/00/87/93/182008793.db2.gz MSGOKFDFZAUTTH-LBPRGKRZSA-N 1 0 318.396 2.242 50 0 DEAARO COc1cc(F)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019222788 182107936 /nfs/dbraw/zinc/10/79/36/182107936.db2.gz OATVXSSXQAECQV-MRXNPFEDSA-N 1 0 308.397 2.131 50 0 DEAARO C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CCO ZINC000019223348 182108183 /nfs/dbraw/zinc/10/81/83/182108183.db2.gz JMJZSQPRCCYYHS-AWEZNQCLSA-N 1 0 302.340 2.204 50 0 DEAARO C[C@H](O)C[NH2+]CCNCc1ccccc1OCc1ccccc1 ZINC000019370698 182120161 /nfs/dbraw/zinc/12/01/61/182120161.db2.gz JRXOPIQMXNGUJE-INIZCTEOSA-N 1 0 314.429 2.326 50 0 DEAARO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000019790653 182148979 /nfs/dbraw/zinc/14/89/79/182148979.db2.gz GLKNABKGKCGHNA-DVOMOZLQSA-N 1 0 313.825 2.327 50 0 DEAARO CN1CC[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000019868138 182157741 /nfs/dbraw/zinc/15/77/41/182157741.db2.gz IXQPPAMUUYMQIG-UHFFFAOYSA-N 1 0 321.852 2.192 50 0 DEAARO CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc(CO)nn3)C2)s1 ZINC000020166499 182193920 /nfs/dbraw/zinc/19/39/20/182193920.db2.gz SBBAFKSZUZNDDV-CYBMUJFWSA-N 1 0 320.462 2.307 50 0 DEAARO OCCCc1cn(CC2CC[NH+](C[C@H]3CC=CCC3)CC2)nn1 ZINC000020201353 182196708 /nfs/dbraw/zinc/19/67/08/182196708.db2.gz MSYRTWHYNGXNNA-INIZCTEOSA-N 1 0 318.465 2.271 50 0 DEAARO COc1cc(OC)cc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000020549645 182230388 /nfs/dbraw/zinc/23/03/88/182230388.db2.gz DWPMLOVVUBVMFC-UHFFFAOYSA-N 1 0 306.406 2.306 50 0 DEAARO OC1(c2cn(C3CC[NH+]([C@@H]4CCSC4)CC3)nn2)CCCC1 ZINC000020854867 182249437 /nfs/dbraw/zinc/24/94/37/182249437.db2.gz YXAAICHVPIFUPB-CQSZACIVSA-N 1 0 322.478 2.182 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000022024308 182304738 /nfs/dbraw/zinc/30/47/38/182304738.db2.gz OQMTVSPFKPWJNN-OAHLLOKOSA-N 1 0 309.385 2.304 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(C)CC2)c2ccc(F)cc12 ZINC000022918348 182341089 /nfs/dbraw/zinc/34/10/89/182341089.db2.gz MOBWUOZALFAGOH-MRXNPFEDSA-N 1 0 319.424 2.006 50 0 DEAARO CCn1ncc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1C ZINC000039358017 183017365 /nfs/dbraw/zinc/01/73/65/183017365.db2.gz VBHOAVPYFFYCJV-HNNXBMFYSA-N 1 0 301.390 2.313 50 0 DEAARO COC(=O)CC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000040461052 183069647 /nfs/dbraw/zinc/06/96/47/183069647.db2.gz LVIXUHOMOMZKSP-UHFFFAOYSA-N 1 0 303.305 2.292 50 0 DEAARO O=C(Nc1nnc(C2CC2)s1)NC1CC[NH+](C2CC2)CC1 ZINC000043359805 183357494 /nfs/dbraw/zinc/35/74/94/183357494.db2.gz AHSSJZXCWDZEDU-UHFFFAOYSA-N 1 0 307.423 2.164 50 0 DEAARO C[N@@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104385766 194003892 /nfs/dbraw/zinc/00/38/92/194003892.db2.gz SGQVYXMPLLSXLD-MRXNPFEDSA-N 1 0 300.402 2.445 50 0 DEAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)n1 ZINC000105885580 194157949 /nfs/dbraw/zinc/15/79/49/194157949.db2.gz NHOSDFCGNIXXBD-INIZCTEOSA-N 1 0 316.453 2.157 50 0 DEAARO O=C1C2(c3ccccc3)CN3CC1(c1ccccc1)C[NH+](C2)CC3 ZINC000019369808 284780767 /nfs/dbraw/zinc/78/07/67/284780767.db2.gz BBRGKVMGEJFWNW-UHFFFAOYSA-N 1 0 318.420 2.076 50 0 DEAARO C[NH+](C)Cc1cccc(CNS(=O)(=O)CC2CCCC2)c1 ZINC000268851649 207018755 /nfs/dbraw/zinc/01/87/55/207018755.db2.gz KGJDFBKIKATXSE-UHFFFAOYSA-N 1 0 310.463 2.358 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111229643 194407575 /nfs/dbraw/zinc/40/75/75/194407575.db2.gz VYCUFJDLEHVTHL-OCCSQVGLSA-N 1 0 318.808 2.320 50 0 DEAARO C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000055933613 184001269 /nfs/dbraw/zinc/00/12/69/184001269.db2.gz PYAHVHZSHHAZBM-CQSZACIVSA-N 1 0 314.433 2.486 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000058225864 184090256 /nfs/dbraw/zinc/09/02/56/184090256.db2.gz JNRIGHHDFSEINT-UHFFFAOYSA-N 1 0 312.369 2.407 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000058357372 184108847 /nfs/dbraw/zinc/10/88/47/184108847.db2.gz APMDKQHNAVJAAO-MRXNPFEDSA-N 1 0 302.418 2.325 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1cnn(-c3ccccc3)c1)CN2 ZINC000058293125 184101450 /nfs/dbraw/zinc/10/14/50/184101450.db2.gz FYYINQORPZFPPU-HNNXBMFYSA-N 1 0 322.416 2.209 50 0 DEAARO Cc1noc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)n1 ZINC000060470407 184150497 /nfs/dbraw/zinc/15/04/97/184150497.db2.gz CITYCHPWIMSWNR-CQSZACIVSA-N 1 0 312.373 2.012 50 0 DEAARO Cc1cccc(-n2nnc(C[NH3+])c2-c2ccc3c(c2)OCO3)c1 ZINC000062244002 184225075 /nfs/dbraw/zinc/22/50/75/184225075.db2.gz STTWCJILAWBAFI-UHFFFAOYSA-N 1 0 308.341 2.430 50 0 DEAARO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CC2CCCC2)o1 ZINC000064014399 184291264 /nfs/dbraw/zinc/29/12/64/184291264.db2.gz VGBLFJHPAKWHBT-UHFFFAOYSA-N 1 0 300.424 2.152 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccccc2OCCO)C1 ZINC000065371957 184330187 /nfs/dbraw/zinc/33/01/87/184330187.db2.gz RJTJQMFINXVBHT-HNNXBMFYSA-N 1 0 304.434 2.116 50 0 DEAARO O=C(c1ccc(Cl)o1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000065415733 184340477 /nfs/dbraw/zinc/34/04/77/184340477.db2.gz QYTRBAJNDGMBEJ-LBPRGKRZSA-N 1 0 312.797 2.260 50 0 DEAARO Cc1cc(C[C@@H](C)[NH2+]CCC(=O)NC2CCCCCC2)[nH]n1 ZINC000065397675 184335918 /nfs/dbraw/zinc/33/59/18/184335918.db2.gz FKCXBSGAGNHFOQ-CYBMUJFWSA-N 1 0 306.454 2.468 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000065402329 184337162 /nfs/dbraw/zinc/33/71/62/184337162.db2.gz FQTAFEQVFJERET-LBPRGKRZSA-N 1 0 302.378 2.131 50 0 DEAARO CCN1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000065611795 184373668 /nfs/dbraw/zinc/37/36/68/184373668.db2.gz RDNJKXCMRONUNQ-UHFFFAOYSA-N 1 0 311.470 2.271 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069420992 184513775 /nfs/dbraw/zinc/51/37/75/184513775.db2.gz AONSGGKUSKOITH-QGZVFWFLSA-N 1 0 324.428 2.491 50 0 DEAARO C[C@@H]([NH2+]CCNS(C)(=O)=O)c1cccc(Cl)c1Cl ZINC000158244142 197256313 /nfs/dbraw/zinc/25/63/13/197256313.db2.gz OVKYVAKOVGDEKB-MRVPVSSYSA-N 1 0 311.234 2.193 50 0 DEAARO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc2c[nH]nc21 ZINC000155331435 197045257 /nfs/dbraw/zinc/04/52/57/197045257.db2.gz RFUJWUNJEWSFLT-INIZCTEOSA-N 1 0 322.412 2.466 50 0 DEAARO C[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000153654317 196896703 /nfs/dbraw/zinc/89/67/03/196896703.db2.gz RSZXVEWSDGMGCH-NXEZZACHSA-N 1 0 300.761 2.067 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237498468 257238272 /nfs/dbraw/zinc/23/82/72/257238272.db2.gz CHDBJEAYFOLWHM-JQWIXIFHSA-N 1 0 316.323 2.466 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000237528017 257238980 /nfs/dbraw/zinc/23/89/80/257238980.db2.gz CEXIZQTXAZSXAS-RYUDHWBXSA-N 1 0 318.808 2.478 50 0 DEAARO Cc1nc(NC2CCCCC2)sc1C(=O)NCC[NH+](C)C ZINC000071326729 257270262 /nfs/dbraw/zinc/27/02/62/257270262.db2.gz QGKCBPXRAJTNTG-UHFFFAOYSA-N 1 0 310.467 2.488 50 0 DEAARO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)no1 ZINC000071875213 184881327 /nfs/dbraw/zinc/88/13/27/184881327.db2.gz CXIXAPYGGZIIND-CQSZACIVSA-N 1 0 317.393 2.063 50 0 DEAARO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000353786951 133001443 /nfs/dbraw/zinc/00/14/43/133001443.db2.gz ONPLUDGFJXDXFC-HNNXBMFYSA-N 1 0 321.852 2.391 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000227030162 292119348 /nfs/dbraw/zinc/11/93/48/292119348.db2.gz MUIQAHAXDLVVDL-WCQYABFASA-N 1 0 300.399 2.025 50 0 DEAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000006911935 401734142 /nfs/dbraw/zinc/73/41/42/401734142.db2.gz DHWKNIIVGINTBY-HNNXBMFYSA-N 1 0 317.433 2.194 50 0 DEAARO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)COCc2ccccc2)n1 ZINC000006941282 401734645 /nfs/dbraw/zinc/73/46/45/401734645.db2.gz KIQRTRKMBJRHJE-GOSISDBHSA-N 1 0 317.433 2.057 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1C ZINC000007486517 401741147 /nfs/dbraw/zinc/74/11/47/401741147.db2.gz RLSGRPFHAIUJDK-OAHLLOKOSA-N 1 0 317.433 2.233 50 0 DEAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000007728010 401743686 /nfs/dbraw/zinc/74/36/86/401743686.db2.gz BXFBDKLJKXNQEX-UHFFFAOYSA-N 1 0 302.827 2.104 50 0 DEAARO C[N@H+](C[C@H](O)c1ccccc1)C[C@H]1CCCN1c1cccnn1 ZINC000071859992 401688745 /nfs/dbraw/zinc/68/87/45/401688745.db2.gz GUEZXRZOBJZBSR-SJORKVTESA-N 1 0 312.417 2.111 50 0 DEAARO Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)cc1C ZINC000071876423 401690815 /nfs/dbraw/zinc/69/08/15/401690815.db2.gz KPEOOBZBZPVHPN-MSOLQXFVSA-N 1 0 314.433 2.483 50 0 DEAARO CCc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)o1 ZINC000071910696 401696082 /nfs/dbraw/zinc/69/60/82/401696082.db2.gz WKBHIGUZJZAIEX-OAHLLOKOSA-N 1 0 306.406 2.228 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000072268696 401704869 /nfs/dbraw/zinc/70/48/69/401704869.db2.gz WORGLUQZWPHXGU-CHWSQXEVSA-N 1 0 322.371 2.431 50 0 DEAARO C[S@](=O)CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000072286927 401706594 /nfs/dbraw/zinc/70/65/94/401706594.db2.gz NWOGSWQCLRXYNG-OAQYLSRUSA-N 1 0 304.415 2.129 50 0 DEAARO CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000072294880 401707049 /nfs/dbraw/zinc/70/70/49/401707049.db2.gz ODVKQSCLMABVCF-CAOSSQGBSA-N 1 0 307.482 2.096 50 0 DEAARO C[C@@H]1CN([C@@H](C[NH2+]C2CCOCC2)c2cccs2)CCO1 ZINC000072298329 401707866 /nfs/dbraw/zinc/70/78/66/401707866.db2.gz JOFKNPRKXRAYTQ-HIFRSBDPSA-N 1 0 310.463 2.279 50 0 DEAARO COC(=O)c1ccc(NC(=O)CC[NH2+]Cc2ccco2)cc1 ZINC000002701326 401717114 /nfs/dbraw/zinc/71/71/14/401717114.db2.gz YDGIQGLPTIEQKV-UHFFFAOYSA-N 1 0 302.330 2.185 50 0 DEAARO Cc1nn(CC(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)cc1Cl ZINC000002782141 401718031 /nfs/dbraw/zinc/71/80/31/401718031.db2.gz YUXFILKXBKXYNU-LBPRGKRZSA-N 1 0 314.861 2.468 50 0 DEAARO CCC[NH+]1CCN(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000013325314 401798843 /nfs/dbraw/zinc/79/88/43/401798843.db2.gz RBIQEMQVDLKROE-UHFFFAOYSA-N 1 0 307.394 2.263 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCCNc1nnnn1-c1ccccc1 ZINC000014118467 401807179 /nfs/dbraw/zinc/80/71/79/401807179.db2.gz FAEOSWMOLUAPOG-AWEZNQCLSA-N 1 0 300.410 2.339 50 0 DEAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000008266572 401751131 /nfs/dbraw/zinc/75/11/31/401751131.db2.gz DEESLUCJZOYXNB-UONOGXRCSA-N 1 0 319.405 2.118 50 0 DEAARO O=C1c2cccn2C[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861936 401757688 /nfs/dbraw/zinc/75/76/88/401757688.db2.gz PYXCABGPCXIUPQ-HKUYNNGSSA-N 1 0 319.384 2.370 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)no3)cc2)CC1 ZINC000009368855 401762112 /nfs/dbraw/zinc/76/21/12/401762112.db2.gz AQXYSPHJUHOYCO-UHFFFAOYSA-N 1 0 314.389 2.377 50 0 DEAARO CCOc1c(C[NH2+]C[C@H](C)O)cc(Br)cc1OC ZINC000010474568 401770249 /nfs/dbraw/zinc/77/02/49/401770249.db2.gz USXPOUFKFWVNQW-VIFPVBQESA-N 1 0 318.211 2.327 50 0 DEAARO C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CCO1 ZINC000011840351 401776804 /nfs/dbraw/zinc/77/68/04/401776804.db2.gz IHZUFOFYBLGXEQ-GFCCVEGCSA-N 1 0 314.788 2.272 50 0 DEAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCC1CC1)C[C@@H](C)O2 ZINC000012054798 401778916 /nfs/dbraw/zinc/77/89/16/401778916.db2.gz UGFBGNMHEWINIU-CQSZACIVSA-N 1 0 302.418 2.494 50 0 DEAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2cccnc2)C1 ZINC000076067761 401780634 /nfs/dbraw/zinc/78/06/34/401780634.db2.gz CIETUICBKGCLBI-LSDHHAIUSA-N 1 0 307.463 2.304 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCc3ccccc32)n1 ZINC000076081875 401781377 /nfs/dbraw/zinc/78/13/77/401781377.db2.gz HRGAYPHTCZZDNG-OAHLLOKOSA-N 1 0 313.405 2.254 50 0 DEAARO CO[C@]1(C)C[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000076091562 401781880 /nfs/dbraw/zinc/78/18/80/401781880.db2.gz LUFHQUSRAHOQJD-RHSMWYFYSA-N 1 0 309.454 2.116 50 0 DEAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)n1C ZINC000012316888 401783368 /nfs/dbraw/zinc/78/33/68/401783368.db2.gz OQDCQHMNRBWHQU-AWEZNQCLSA-N 1 0 304.438 2.142 50 0 DEAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000012420194 401785770 /nfs/dbraw/zinc/78/57/70/401785770.db2.gz KUXJXFXMNAWWOU-INIZCTEOSA-N 1 0 323.433 2.313 50 0 DEAARO Cn1nccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012578717 401788442 /nfs/dbraw/zinc/78/84/42/401788442.db2.gz XFCNVPSHROPJDI-INIZCTEOSA-N 1 0 312.417 2.157 50 0 DEAARO COc1ccc(F)c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000012585135 401788930 /nfs/dbraw/zinc/78/89/30/401788930.db2.gz DQPBEBGLNZSHCY-CQSZACIVSA-N 1 0 316.380 2.383 50 0 DEAARO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000012689983 401790199 /nfs/dbraw/zinc/79/01/99/401790199.db2.gz PDOCOKNUBPUSJQ-UKRRQHHQSA-N 1 0 317.433 2.334 50 0 DEAARO CN1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000012755082 401790771 /nfs/dbraw/zinc/79/07/71/401790771.db2.gz NADGGHACHZPGOE-OAHLLOKOSA-N 1 0 321.852 2.125 50 0 DEAARO NC(=O)c1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000029171327 401855243 /nfs/dbraw/zinc/85/52/43/401855243.db2.gz GBMPBRFRRCEDPW-UHFFFAOYSA-N 1 0 323.440 2.146 50 0 DEAARO COc1cc[nH+]c(N2CCN(C(=O)C3(C)CCCC3)CC2)c1 ZINC000078551883 401855762 /nfs/dbraw/zinc/85/57/62/401855762.db2.gz FNVFMWAKVSRHDM-UHFFFAOYSA-N 1 0 303.406 2.319 50 0 DEAARO CN(C)c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000029665712 401858292 /nfs/dbraw/zinc/85/82/92/401858292.db2.gz WVTPOMFLCYLYGK-AWEZNQCLSA-N 1 0 318.446 2.242 50 0 DEAARO Cc1cc(C)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1C ZINC000030656586 401864544 /nfs/dbraw/zinc/86/45/44/401864544.db2.gz KFUVHUHWWMASDR-UHFFFAOYSA-N 1 0 310.463 2.125 50 0 DEAARO CN(C)c1ncc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC000077420811 401814785 /nfs/dbraw/zinc/81/47/85/401814785.db2.gz ARFFIAMQQSXBJF-KRWDZBQOSA-N 1 0 317.481 2.383 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000014980816 401814827 /nfs/dbraw/zinc/81/48/27/401814827.db2.gz JFJHESKPNQNPGA-INIZCTEOSA-N 1 0 319.493 2.097 50 0 DEAARO CSc1ccc(C(=O)N2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000014979397 401814868 /nfs/dbraw/zinc/81/48/68/401814868.db2.gz CLYARBJQQJOBTD-AWEZNQCLSA-N 1 0 308.447 2.201 50 0 DEAARO C[NH+](C)CC[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CCO1 ZINC000015063228 401815275 /nfs/dbraw/zinc/81/52/75/401815275.db2.gz NBZZVVSGMZZWHL-QGZVFWFLSA-N 1 0 322.424 2.328 50 0 DEAARO C[C@H](CNC(=O)NCC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000041198829 401928314 /nfs/dbraw/zinc/92/83/14/401928314.db2.gz LJONCOTZVISNPO-LLVKDONJSA-N 1 0 315.339 2.295 50 0 DEAARO [NH3+]CC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1 ZINC000031961553 401875301 /nfs/dbraw/zinc/87/53/01/401875301.db2.gz BQVAVLWKVLTVHE-UHFFFAOYSA-N 1 0 300.406 2.360 50 0 DEAARO C[C@H]1C[C@H](NC(=O)c2csnn2)CC[N@@H+]1Cc1ccccc1 ZINC000079553359 401876511 /nfs/dbraw/zinc/87/65/11/401876511.db2.gz AKCLFBJKTPVXLD-GXTWGEPZSA-N 1 0 316.430 2.321 50 0 DEAARO C[C@@H](CNS(=O)(=O)c1ccccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000032441029 401878877 /nfs/dbraw/zinc/87/88/77/401878877.db2.gz JPSUMHDGJXYAHH-STQMWFEESA-N 1 0 314.426 2.367 50 0 DEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1csnn1 ZINC000032497961 401879355 /nfs/dbraw/zinc/87/93/55/401879355.db2.gz MVZYLPAYPIOWIR-HNNXBMFYSA-N 1 0 316.430 2.495 50 0 DEAARO CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000032797239 401883052 /nfs/dbraw/zinc/88/30/52/401883052.db2.gz WHBUDJZWPOLDOO-LBPRGKRZSA-N 1 0 311.376 2.319 50 0 DEAARO COc1cc(C[NH2+]CCCn2ccnc2)cc(OC)c1OC ZINC000035268953 401897839 /nfs/dbraw/zinc/89/78/39/401897839.db2.gz NANQNQNOCHEAEA-UHFFFAOYSA-N 1 0 305.378 2.089 50 0 DEAARO C[C@@H](O)C[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287298 401898515 /nfs/dbraw/zinc/89/85/15/401898515.db2.gz MVAZMUMRGQJYEE-OAHLLOKOSA-N 1 0 322.412 2.464 50 0 DEAARO Cc1c(C(=O)OC(C)C)sc2[nH]c(C[NH2+]C3CC3)nc(=O)c12 ZINC000036154557 401903450 /nfs/dbraw/zinc/90/34/50/401903450.db2.gz VXFZDVIDMHLFNS-UHFFFAOYSA-N 1 0 321.402 2.110 50 0 DEAARO Cc1ccccc1CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000084677957 401908664 /nfs/dbraw/zinc/90/86/64/401908664.db2.gz XTNOHVHNXDQCRK-KRWDZBQOSA-N 1 0 301.434 2.417 50 0 DEAARO COCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547400 401915191 /nfs/dbraw/zinc/91/51/91/401915191.db2.gz VVWIUQBKQBMNRO-OAHLLOKOSA-N 1 0 304.434 2.092 50 0 DEAARO CN(C)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091595464 401997259 /nfs/dbraw/zinc/99/72/59/401997259.db2.gz AZKDYJOISMIKOR-GOEBONIOSA-N 1 0 305.397 2.404 50 0 DEAARO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000089761621 401961370 /nfs/dbraw/zinc/96/13/70/401961370.db2.gz ZFHPOVVAPXZFFX-HNNXBMFYSA-N 1 0 308.397 2.019 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000046035128 401964765 /nfs/dbraw/zinc/96/47/65/401964765.db2.gz YUIQAHYRLMEHMZ-ZDUSSCGKSA-N 1 0 310.463 2.314 50 0 DEAARO COC[C@H](C)[NH+]1CCN(CCN2CCCc3ccccc32)CC1 ZINC000090554448 401984695 /nfs/dbraw/zinc/98/46/95/401984695.db2.gz NZBLFUWCFMGVJM-KRWDZBQOSA-N 1 0 317.477 2.092 50 0 DEAARO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(F)cc(F)c1 ZINC000090799384 401987810 /nfs/dbraw/zinc/98/78/10/401987810.db2.gz XZKFNMGOBRMJQJ-QMTHXVAHSA-N 1 0 318.389 2.039 50 0 DEAARO CC(C)([NH3+])c1cn(C2CCN(c3ncccc3Cl)CC2)nn1 ZINC000048121588 401994172 /nfs/dbraw/zinc/99/41/72/401994172.db2.gz FGWBNCHKQGSQNG-UHFFFAOYSA-N 1 0 320.828 2.362 50 0 DEAARO CCOc1ncccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048200960 401995389 /nfs/dbraw/zinc/99/53/89/401995389.db2.gz TUYFRWNVLPCKFA-GXTWGEPZSA-N 1 0 304.394 2.229 50 0 DEAARO Cc1cc(N2CCSCC2)ccc1NC(=O)CC[NH+](C)C ZINC000095347378 402026084 /nfs/dbraw/zinc/02/60/84/402026084.db2.gz ZPAGJRBVFZQAJE-UHFFFAOYSA-N 1 0 307.463 2.438 50 0 DEAARO CCCC[C@H]([NH3+])C(=O)N1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000095355549 402027053 /nfs/dbraw/zinc/02/70/53/402027053.db2.gz JLUVIAKYWOSGJB-HNNXBMFYSA-N 1 0 323.481 2.001 50 0 DEAARO CCCc1cnc(C)nc1N1C[C@H]2CC[C@H](C[N@H+]2CCOC)C1 ZINC000095361937 402028011 /nfs/dbraw/zinc/02/80/11/402028011.db2.gz YOLZVYFJFAOLKN-NVXWUHKLSA-N 1 0 318.465 2.285 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(O)cc2)CC1 ZINC000095372308 402029181 /nfs/dbraw/zinc/02/91/81/402029181.db2.gz WRRCLLSSXKKHPZ-KRWDZBQOSA-N 1 0 320.433 2.052 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000095378455 402030585 /nfs/dbraw/zinc/03/05/85/402030585.db2.gz UFLSVZGBTFGQJT-OAHLLOKOSA-N 1 0 318.417 2.339 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1noc(-c2cccs2)n1 ZINC000095385109 402031367 /nfs/dbraw/zinc/03/13/67/402031367.db2.gz MFQICLQKYOQWJP-NSHDSACASA-N 1 0 320.418 2.289 50 0 DEAARO O=C(c1ccoc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095386797 402031947 /nfs/dbraw/zinc/03/19/47/402031947.db2.gz LCYUAKHRSUPPFY-DOTOQJQBSA-N 1 0 311.385 2.411 50 0 DEAARO O=C1NC2(CC[NH+](C3CCCCC3)CC2)Nc2ncccc21 ZINC000095394213 402031978 /nfs/dbraw/zinc/03/19/78/402031978.db2.gz PFSSKXDHRNPEJY-UHFFFAOYSA-N 1 0 300.406 2.362 50 0 DEAARO CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000095458262 402033022 /nfs/dbraw/zinc/03/30/22/402033022.db2.gz VNMWGYRVULMRNO-OAHLLOKOSA-N 1 0 303.450 2.497 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000095940725 402035300 /nfs/dbraw/zinc/03/53/00/402035300.db2.gz CEXUGJJANOSHRN-CHWSQXEVSA-N 1 0 300.443 2.383 50 0 DEAARO CCc1cc(NCc2cccc(C[NH+](C)C)c2)n2ncnc2n1 ZINC000051905915 402037232 /nfs/dbraw/zinc/03/72/32/402037232.db2.gz DOZCTSCSYXKEDB-UHFFFAOYSA-N 1 0 310.405 2.360 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)C1 ZINC000095965774 402037742 /nfs/dbraw/zinc/03/77/42/402037742.db2.gz XUGUGRIVUIFKKW-CVEARBPZSA-N 1 0 311.470 2.175 50 0 DEAARO CC(C)COC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000095971066 402039355 /nfs/dbraw/zinc/03/93/55/402039355.db2.gz FEKNHGJYKOXMEU-KRWDZBQOSA-N 1 0 304.434 2.220 50 0 DEAARO O=C(NCc1cc(F)cc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000095971067 402039428 /nfs/dbraw/zinc/03/94/28/402039428.db2.gz ZINVXXKBBVSWEV-LBPRGKRZSA-N 1 0 315.186 2.347 50 0 DEAARO CC(C)Oc1cccc(C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000052217535 402041267 /nfs/dbraw/zinc/04/12/67/402041267.db2.gz UXVBJKTXVCZJDM-UHFFFAOYSA-N 1 0 317.433 2.463 50 0 DEAARO CC(C)(C)[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(F)c1 ZINC000095985798 402042647 /nfs/dbraw/zinc/04/26/47/402042647.db2.gz MWPSSUYKJLJAPQ-AWEZNQCLSA-N 1 0 307.369 2.054 50 0 DEAARO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000095990149 402043625 /nfs/dbraw/zinc/04/36/25/402043625.db2.gz DMKJLNPJLIDEIY-CQSZACIVSA-N 1 0 311.364 2.466 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000095989986 402043852 /nfs/dbraw/zinc/04/38/52/402043852.db2.gz PEFBORFSDDAERD-KRWDZBQOSA-N 1 0 323.481 2.461 50 0 DEAARO CCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000095992472 402044273 /nfs/dbraw/zinc/04/42/73/402044273.db2.gz XKNWOVVPPLBXLC-CQSZACIVSA-N 1 0 306.381 2.247 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000095996337 402044743 /nfs/dbraw/zinc/04/47/43/402044743.db2.gz REZPAFGQMYGZBG-OCCSQVGLSA-N 1 0 311.813 2.088 50 0 DEAARO COCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048885234 402009214 /nfs/dbraw/zinc/00/92/14/402009214.db2.gz ZQXIXHMGQOVJIS-GJZGRUSLSA-N 1 0 304.434 2.427 50 0 DEAARO Cc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000097237898 402120093 /nfs/dbraw/zinc/12/00/93/402120093.db2.gz OQQNPMKMSPPHPM-GOSISDBHSA-N 1 0 324.424 2.492 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3ccc(F)c(F)c3)c2N)CC1 ZINC000096282010 402076182 /nfs/dbraw/zinc/07/61/82/402076182.db2.gz MBDVIERDCPWGMW-UHFFFAOYSA-N 1 0 319.359 2.146 50 0 DEAARO C[NH+]1CCN(c2ncnc(-c3cccc(Cl)c3)c2N)CC1 ZINC000096282112 402076209 /nfs/dbraw/zinc/07/62/09/402076209.db2.gz VBPBVOBLNGDJPH-UHFFFAOYSA-N 1 0 303.797 2.131 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccncc3)cc2)CC1 ZINC000096298404 402076749 /nfs/dbraw/zinc/07/67/49/402076749.db2.gz FECQURSNCUOZRS-UQCOIBPSSA-N 1 0 322.412 2.485 50 0 DEAARO C[N@@H+]1CCC[C@H](N2CCN(CCSc3ccccc3)CC2)C1 ZINC000096410346 402079275 /nfs/dbraw/zinc/07/92/75/402079275.db2.gz HPOHXEGMFAORGH-KRWDZBQOSA-N 1 0 319.518 2.491 50 0 DEAARO Cc1ccc([C@H]2CCCCC[N@@H+]2CCNS(C)(=O)=O)o1 ZINC000096415008 402081362 /nfs/dbraw/zinc/08/13/62/402081362.db2.gz AFONRHNPBAFABE-CYBMUJFWSA-N 1 0 300.424 2.054 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccc(C)nc2)C1 ZINC000096440092 402087192 /nfs/dbraw/zinc/08/71/92/402087192.db2.gz QHOUKCKSRSSUMV-MRXNPFEDSA-N 1 0 304.438 2.058 50 0 DEAARO CNC(=O)[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000096443289 402088180 /nfs/dbraw/zinc/08/81/80/402088180.db2.gz WOVOEZZKMTVZIL-GOSISDBHSA-N 1 0 310.397 2.241 50 0 DEAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000096450365 402089562 /nfs/dbraw/zinc/08/95/62/402089562.db2.gz NLFRIQFHVKXUMC-ZBFHGGJFSA-N 1 0 310.463 2.336 50 0 DEAARO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccncc3)C2)c1 ZINC000096449343 402089806 /nfs/dbraw/zinc/08/98/06/402089806.db2.gz GQMOPMNCLHXMGN-HNNXBMFYSA-N 1 0 313.401 2.467 50 0 DEAARO FC(F)(F)c1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000096453183 402090703 /nfs/dbraw/zinc/09/07/03/402090703.db2.gz WMDNWQXSXOGSFE-GFCCVEGCSA-N 1 0 315.339 2.401 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(-n2cnnn2)cc1 ZINC000096476518 402093542 /nfs/dbraw/zinc/09/35/42/402093542.db2.gz NPGHRTOOFBDTEH-GUYCJALGSA-N 1 0 321.384 2.317 50 0 DEAARO CC1CC[NH+](C[C@@H](O)COc2cccc3c2CCC3=O)CC1 ZINC000096484789 402094457 /nfs/dbraw/zinc/09/44/57/402094457.db2.gz VSKPEOZZIGCRGQ-CQSZACIVSA-N 1 0 303.402 2.287 50 0 DEAARO C[NH+](C)CCC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000096487330 402095159 /nfs/dbraw/zinc/09/51/59/402095159.db2.gz UURFPTDAIPSURG-LLVKDONJSA-N 1 0 313.804 2.126 50 0 DEAARO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000096489780 402095611 /nfs/dbraw/zinc/09/56/11/402095611.db2.gz ZBGZFSLIKHFBNC-CQSZACIVSA-N 1 0 302.378 2.273 50 0 DEAARO CC(C)CN1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491736 402096060 /nfs/dbraw/zinc/09/60/60/402096060.db2.gz NSXURNQRVXPMTG-XHSDSOJGSA-N 1 0 316.511 2.052 50 0 DEAARO O=C(c1ccc2c(c1)OCCCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000058418651 402100843 /nfs/dbraw/zinc/10/08/43/402100843.db2.gz LBIIDCWVXROLLA-UHFFFAOYSA-N 1 0 316.401 2.158 50 0 DEAARO C[N@@H+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000097052234 402103435 /nfs/dbraw/zinc/10/34/35/402103435.db2.gz LRYGLOXGJZPJNF-UHFFFAOYSA-N 1 0 311.389 2.313 50 0 DEAARO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000097086564 402106056 /nfs/dbraw/zinc/10/60/56/402106056.db2.gz KIWXDLBZKVCECY-LSDHHAIUSA-N 1 0 316.449 2.497 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000097113231 402108846 /nfs/dbraw/zinc/10/88/46/402108846.db2.gz WCIONGVDUVFGGH-CQSZACIVSA-N 1 0 304.415 2.342 50 0 DEAARO O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccccc1F ZINC000097159156 402112402 /nfs/dbraw/zinc/11/24/02/402112402.db2.gz KCNKDHLHOLNJMP-MRXNPFEDSA-N 1 0 312.348 2.434 50 0 DEAARO Cn1cc(C[NH2+]Cc2ccccc2CO)c(-c2ccncc2)n1 ZINC000097160050 402112788 /nfs/dbraw/zinc/11/27/88/402112788.db2.gz AJEFJFOZNKRRFF-UHFFFAOYSA-N 1 0 308.385 2.264 50 0 DEAARO O[C@@]1(Cn2ccc(-c3cccnc3)n2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063882914 402116357 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CNC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C)c1 ZINC000243885908 402446375 /nfs/dbraw/zinc/44/63/75/402446375.db2.gz ADUIJNHLIBAKPY-NSHDSACASA-N 1 0 311.813 2.043 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@H]1CCO ZINC000243901756 402446790 /nfs/dbraw/zinc/44/67/90/402446790.db2.gz BDOYVUUYZPRWNV-GOSISDBHSA-N 1 0 318.461 2.146 50 0 DEAARO CCc1c(Cl)nc(C)nc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000170642829 402509960 /nfs/dbraw/zinc/50/99/60/402509960.db2.gz JICOLDLNOMPGMR-LLVKDONJSA-N 1 0 311.861 2.049 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2OC)C1 ZINC000245344134 402453255 /nfs/dbraw/zinc/45/32/55/402453255.db2.gz XTBIUSYQFNWMRQ-ARFHVFGLSA-N 1 0 311.470 2.317 50 0 DEAARO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1C ZINC000245339345 402453291 /nfs/dbraw/zinc/45/32/91/402453291.db2.gz SDYKQWRVNVNWMH-GDBMZVCRSA-N 1 0 320.433 2.119 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000178561023 402512185 /nfs/dbraw/zinc/51/21/85/402512185.db2.gz RZUQSIHJRKZDBX-JTQLQIEISA-N 1 0 305.378 2.370 50 0 DEAARO COCC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000170077818 402502864 /nfs/dbraw/zinc/50/28/64/402502864.db2.gz QPONBPPSGXCJNB-HOTGVXAUSA-N 1 0 311.447 2.316 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000178527411 402507846 /nfs/dbraw/zinc/50/78/46/402507846.db2.gz OMHXKVSUFGXONM-LLVKDONJSA-N 1 0 319.792 2.074 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000247446764 402567456 /nfs/dbraw/zinc/56/74/56/402567456.db2.gz YIJUTPILDQOKMF-GDLCADMTSA-N 1 0 323.234 2.360 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)COC2 ZINC000248095894 402582326 /nfs/dbraw/zinc/58/23/26/402582326.db2.gz CYDHVWAGQUJOQN-IAGOWNOFSA-N 1 0 300.402 2.416 50 0 DEAARO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2O)[C@@H]1c1ccccc1 ZINC000179472156 402591510 /nfs/dbraw/zinc/59/15/10/402591510.db2.gz WGSYHLNFTVLWCC-QZWWFDLISA-N 1 0 317.433 2.035 50 0 DEAARO CCn1cc(C[NH2+]C2CCC(Oc3cnccn3)CC2)cn1 ZINC000190321300 402592643 /nfs/dbraw/zinc/59/26/43/402592643.db2.gz RNJCURACQLGXDA-UHFFFAOYSA-N 1 0 301.394 2.173 50 0 DEAARO C[C@@H]1CN(C(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CCO1 ZINC000250206008 402645605 /nfs/dbraw/zinc/64/56/05/402645605.db2.gz QXCKHWCRNXYOPQ-KDOFPFPSSA-N 1 0 314.429 2.386 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000252586811 402659214 /nfs/dbraw/zinc/65/92/14/402659214.db2.gz SSXGPZMHHWNQTO-USXIJHARSA-N 1 0 318.417 2.102 50 0 DEAARO Cn1ccsc1=NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000252458528 402653346 /nfs/dbraw/zinc/65/33/46/402653346.db2.gz ONENJBBIQLLJHR-UHFFFAOYSA-N 1 0 315.442 2.426 50 0 DEAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000252481403 402654352 /nfs/dbraw/zinc/65/43/52/402654352.db2.gz CKNGPXHYNUWQQY-MRXNPFEDSA-N 1 0 310.463 2.148 50 0 DEAARO CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000252492269 402656129 /nfs/dbraw/zinc/65/61/29/402656129.db2.gz MHCDYIUQXDVAKE-HZPDHXFCSA-N 1 0 317.437 2.467 50 0 DEAARO CCN(CCC[NH+]1CCCC1)C(=O)NCC[C@@H]1CCCCO1 ZINC000252494162 402656171 /nfs/dbraw/zinc/65/61/71/402656171.db2.gz NMLRVEPWIKHYSC-INIZCTEOSA-N 1 0 311.470 2.463 50 0 DEAARO COc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)ccc1C ZINC000252498472 402656831 /nfs/dbraw/zinc/65/68/31/402656831.db2.gz RCTZXQIGJRADPI-UHFFFAOYSA-N 1 0 302.418 2.494 50 0 DEAARO COc1cc(/C=C\C(=O)N(C)[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000255084102 402678092 /nfs/dbraw/zinc/67/80/92/402678092.db2.gz OPVWKBMMWAAHLM-RXNFCKPNSA-N 1 0 324.808 2.191 50 0 DEAARO CS(=O)(=O)NCCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000182530396 402697112 /nfs/dbraw/zinc/69/71/12/402697112.db2.gz GIJJGLNWTPOVPL-UHFFFAOYSA-N 1 0 316.426 2.285 50 0 DEAARO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(O)c1 ZINC000173943603 402720689 /nfs/dbraw/zinc/72/06/89/402720689.db2.gz YOCXUHUTPNHBSU-LBPRGKRZSA-N 1 0 317.393 2.033 50 0 DEAARO c1cc(C[N@H+]2CC[C@@H](Cn3cc(COCC4CC4)nn3)C2)co1 ZINC000257177482 402700773 /nfs/dbraw/zinc/70/07/73/402700773.db2.gz BDYRIGJONPBCPN-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/56/64/15/403566415.db2.gz KNHKFAXISPTYHL-CQSZACIVSA-N 1 0 318.417 2.475 50 0 DEAARO O=C(NCC1(C[NH+]2CCCC2)CC1)[C@H](O)c1cccc(Cl)c1 ZINC000299764259 403567928 /nfs/dbraw/zinc/56/79/28/403567928.db2.gz SKWLEKQAVLMBNO-OAHLLOKOSA-N 1 0 322.836 2.366 50 0 DEAARO Fc1ccc2cc(C[NH2+]C3CC3)c(N3CCOCC3)nc2c1 ZINC000299779307 403573105 /nfs/dbraw/zinc/57/31/05/403573105.db2.gz NFZUFEOOAIRQSK-UHFFFAOYSA-N 1 0 301.365 2.463 50 0 DEAARO CCc1ncc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)cn1 ZINC000299781076 403573273 /nfs/dbraw/zinc/57/32/73/403573273.db2.gz WFTTUOIFFIPLEF-MRXNPFEDSA-N 1 0 312.417 2.462 50 0 DEAARO Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000299796519 403577999 /nfs/dbraw/zinc/57/79/99/403577999.db2.gz OYVUJWGQOOVEGA-MRXNPFEDSA-N 1 0 312.417 2.360 50 0 DEAARO CCCC[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cccnc1 ZINC000299799500 403578622 /nfs/dbraw/zinc/57/86/22/403578622.db2.gz SQXDZCLJDQHVDY-QGZVFWFLSA-N 1 0 318.465 2.067 50 0 DEAARO CC(C)Nc1ncccc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290091246 404037640 /nfs/dbraw/zinc/03/76/40/404037640.db2.gz XDNNRSUIEWLGOB-KRWDZBQOSA-N 1 0 302.422 2.118 50 0 DEAARO Cc1cc2[nH]c(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3C)cc2c(C)c1 ZINC000342420721 404567624 /nfs/dbraw/zinc/56/76/24/404567624.db2.gz CBFXJHKAPULUBZ-BLLLJJGKSA-N 1 0 306.431 2.307 50 0 DEAARO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(-n2cnnn2)cc1 ZINC000367436649 405048795 /nfs/dbraw/zinc/04/87/95/405048795.db2.gz GVXSEZNWNVDNAG-CYBMUJFWSA-N 1 0 323.404 2.046 50 0 DEAARO CCc1cc(CSc2nnc(C3CC[NH2+]CC3)n2C)on1 ZINC000426412793 405358610 /nfs/dbraw/zinc/35/86/10/405358610.db2.gz NNEANZZQAMSTPG-UHFFFAOYSA-N 1 0 307.423 2.125 50 0 DEAARO COc1ccnc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426478127 405362558 /nfs/dbraw/zinc/36/25/58/405362558.db2.gz QAOBTYZDPSQVPE-CYBMUJFWSA-N 1 0 303.406 2.085 50 0 DEAARO COC(C)(C)CNC(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000426580680 405369659 /nfs/dbraw/zinc/36/96/59/405369659.db2.gz GNHFENRPGFYTQO-UHFFFAOYSA-N 1 0 305.422 2.198 50 0 DEAARO C[NH+](C)CC1CN(S(=O)(=O)c2csc3ccccc32)C1 ZINC000583651402 405780014 /nfs/dbraw/zinc/78/00/14/405780014.db2.gz KZFVMZZPYPQCJG-UHFFFAOYSA-N 1 0 310.444 2.083 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000575609419 406813748 /nfs/dbraw/zinc/81/37/48/406813748.db2.gz XPZBIDCLGJCVLY-KGLIPLIRSA-N 1 0 302.374 2.188 50 0 DEAARO CCCNC(=O)N1CCC[C@@H](Cn2c(C)cnc2COC)C1 ZINC000575550233 406812019 /nfs/dbraw/zinc/81/20/19/406812019.db2.gz RZUYOEIVSYSUAK-CQSZACIVSA-N 1 0 308.426 2.170 50 0 DEAARO Cc1cnc(-c2ccccc2)n1C1CN(C(=O)[C@@H]2CCOC2)C1 ZINC000575551390 406812039 /nfs/dbraw/zinc/81/20/39/406812039.db2.gz RPDDQAPCFXNTCX-OAHLLOKOSA-N 1 0 311.385 2.278 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)Cc2ccccc2OC)C1 ZINC000132894918 196294375 /nfs/dbraw/zinc/29/43/75/196294375.db2.gz BJYCTVKNXRMTDO-GDBMZVCRSA-N 1 0 304.434 2.474 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2)C1 ZINC000134028022 196354951 /nfs/dbraw/zinc/35/49/51/196354951.db2.gz WWMDWJKAAASAFH-OAHLLOKOSA-N 1 0 301.434 2.419 50 0 DEAARO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000408517214 227237193 /nfs/dbraw/zinc/23/71/93/227237193.db2.gz CQEILQMIHYGONJ-MRXNPFEDSA-N 1 0 304.434 2.478 50 0 DEAARO O=C(/C=C/c1ccccc1F)NCCCC[NH+]1CCOCC1 ZINC000048284610 424832241 /nfs/dbraw/zinc/83/22/41/424832241.db2.gz GXCOSDFIRPQPMG-BQYQJAHWSA-N 1 0 306.381 2.068 50 0 DEAARO COc1ccc(C2=CC[N@H+](C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000044975459 424815407 /nfs/dbraw/zinc/81/54/07/424815407.db2.gz NDKUKPCCENMFJD-QGZVFWFLSA-N 1 0 313.401 2.042 50 0 DEAARO NC(=O)[C@@H]1CCCN1CCOc1ccccc1C(F)(F)F ZINC000195310032 424882408 /nfs/dbraw/zinc/88/24/08/424882408.db2.gz OBCMRFNCPKRZHN-NSHDSACASA-N 1 0 302.296 2.034 50 0 DEAARO C[C@@H](C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000252512315 424888099 /nfs/dbraw/zinc/88/80/99/424888099.db2.gz PHAFBIXQFWRGFT-JKSUJKDBSA-N 1 0 324.490 2.394 50 0 DEAARO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1cncn1 ZINC000252511165 424888137 /nfs/dbraw/zinc/88/81/37/424888137.db2.gz DOQUFZIYIPCDAU-SJLPKXTDSA-N 1 0 313.449 2.121 50 0 DEAARO CCN(C/C=C/c1ccccc1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000252511346 424888301 /nfs/dbraw/zinc/88/83/01/424888301.db2.gz ZZWXLWDBGJWXQN-VEGGFIAOSA-N 1 0 315.461 2.184 50 0 DEAARO Cc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257194930 424888753 /nfs/dbraw/zinc/88/87/53/424888753.db2.gz UZHGCQDGFUZPTO-PKOBYXMFSA-N 1 0 324.424 2.218 50 0 DEAARO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000095985135 274173581 /nfs/dbraw/zinc/17/35/81/274173581.db2.gz SWCJWNCTPMSOKU-IRXDYDNUSA-N 1 0 307.459 2.347 50 0 DEAARO OCC[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000062640040 275046901 /nfs/dbraw/zinc/04/69/01/275046901.db2.gz QCAUINZCUXXNMW-UHFFFAOYSA-N 1 0 323.746 2.258 50 0 DEAARO CC(=O)NC1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095521358 275478477 /nfs/dbraw/zinc/47/84/77/275478477.db2.gz AVJIARYYCPFVBD-HNNXBMFYSA-N 1 0 302.418 2.228 50 0 DEAARO CC[N@@H+]1CCC[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000041124087 276188011 /nfs/dbraw/zinc/18/80/11/276188011.db2.gz ZLKMAIPQEUTPRD-LJQANCHMSA-N 1 0 313.445 2.373 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237227758 277032179 /nfs/dbraw/zinc/03/21/79/277032179.db2.gz HAQVGYRCWUSLMX-GFCCVEGCSA-N 1 0 316.323 2.295 50 0 DEAARO CO[C@H](C[NH3+])CC(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000262750659 277328485 /nfs/dbraw/zinc/32/84/85/277328485.db2.gz BWFDOAMSDDXDQQ-DUVNUKRYSA-N 1 0 308.447 2.055 50 0 DEAARO CC(C)CN(C(=O)c1ccc(N(C)C)nc1)C1CC[NH+](C)CC1 ZINC000071841818 277373520 /nfs/dbraw/zinc/37/35/20/277373520.db2.gz SJDVRCKGSUAMAU-UHFFFAOYSA-N 1 0 318.465 2.340 50 0 DEAARO C[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000069655793 278335363 /nfs/dbraw/zinc/33/53/63/278335363.db2.gz ZFQGGUGRMMMYTQ-RDJZCZTQSA-N 1 0 324.513 2.233 50 0 DEAARO C[C@H]1Cc2ccccc2N(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954542 280030310 /nfs/dbraw/zinc/03/03/10/280030310.db2.gz REFVUCAQNRPHIP-NSHDSACASA-N 1 0 301.415 2.483 50 0 DEAARO c1ccc2nc(N3CCC[C@H](C[NH+]4CCOCC4)C3)cnc2c1 ZINC000071902782 280495449 /nfs/dbraw/zinc/49/54/49/280495449.db2.gz FKMALCLXJRGENJ-OAHLLOKOSA-N 1 0 312.417 2.178 50 0 DEAARO Cc1ccccc1C1(O)CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000095406265 281336601 /nfs/dbraw/zinc/33/66/01/281336601.db2.gz GIRLBIFUXJIRTG-KRWDZBQOSA-N 1 0 316.445 2.288 50 0 DEAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156253325 281355738 /nfs/dbraw/zinc/35/57/38/281355738.db2.gz PNQVDLGWMWYISZ-GXZWQRSESA-N 1 0 315.479 2.342 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000237706037 281368982 /nfs/dbraw/zinc/36/89/82/281368982.db2.gz RIXVUUNOKCOAHQ-YOEHRIQHSA-N 1 0 302.418 2.283 50 0 DEAARO C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1cccc2ccccc21 ZINC000085470026 289203244 /nfs/dbraw/zinc/20/32/44/289203244.db2.gz HPSFZFSWUBBQNT-QGZVFWFLSA-N 1 0 312.413 2.171 50 0 DEAARO Cc1sc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc1-c1ccc(C)cc1 ZINC000362750581 294077584 /nfs/dbraw/zinc/07/75/84/294077584.db2.gz UEZQNDVALSUQNH-OLZOCXBDSA-N 1 0 317.414 2.088 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000097113857 295106969 /nfs/dbraw/zinc/10/69/69/295106969.db2.gz SVDNISYCDASOAL-CHWSQXEVSA-N 1 0 321.387 2.037 50 0 DEAARO O=C(CCCc1cn[nH]c1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000534585919 334291802 /nfs/dbraw/zinc/29/18/02/334291802.db2.gz CBOCNCIPHQDLSZ-UHFFFAOYSA-N 1 0 304.438 2.115 50 0 DEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1nc2cccnc2[nH]1 ZINC000534587151 334292449 /nfs/dbraw/zinc/29/24/49/334292449.db2.gz YDHWOXGSYKCNAL-UHFFFAOYSA-N 1 0 315.421 2.342 50 0 DEAARO O=C(Cc1ccc(CO)cc1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000534588839 334293137 /nfs/dbraw/zinc/29/31/37/334293137.db2.gz LFPSYCIQBNKXLO-UHFFFAOYSA-N 1 0 316.445 2.104 50 0 DEAARO CC[NH+](CC)CC1(NC(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000534645960 334307722 /nfs/dbraw/zinc/30/77/22/334307722.db2.gz 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/nfs/dbraw/zinc/22/38/07/636223807.db2.gz FWZFVLMWQIWKHG-HNNXBMFYSA-N 1 0 310.401 2.229 50 0 DEAARO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1F ZINC000895503805 638055489 /nfs/dbraw/zinc/05/54/89/638055489.db2.gz COGXFQNVFGKACI-UQFNBPPOSA-N 1 0 322.380 2.483 50 0 DEAARO C[C@@H]1CN(C2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)CCO1 ZINC000179344083 640819490 /nfs/dbraw/zinc/81/94/90/640819490.db2.gz PREGSNJNINRXBT-CQSZACIVSA-N 1 0 314.433 2.248 50 0 DEAARO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000732982895 647795472 /nfs/dbraw/zinc/79/54/72/647795472.db2.gz WCKSPWNILXSRJH-HNNXBMFYSA-N 1 0 303.406 2.159 50 0 DEAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000850437661 647901629 /nfs/dbraw/zinc/90/16/29/647901629.db2.gz REUOCTSADSPKCO-CJNGLKHVSA-N 1 0 307.390 2.038 50 0 DEAARO COC1(OC)CC[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1O ZINC000874434834 648090775 /nfs/dbraw/zinc/09/07/75/648090775.db2.gz FQJUJBWQUJFQRT-KRWDZBQOSA-N 1 0 301.386 2.396 50 0 DEAARO CC1(C)CC(N2CCN(c3ncc(F)cn3)CC2)CC(C)(C)[NH2+]1 ZINC000065421728 683923324 /nfs/dbraw/zinc/92/33/24/683923324.db2.gz SWUQVELZTSSMMS-UHFFFAOYSA-N 1 0 321.444 2.047 50 0 DEAARO Cc1ccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)o1 ZINC000065460018 683923862 /nfs/dbraw/zinc/92/38/62/683923862.db2.gz JCLONZBFBWRFIU-KCITZHQASA-N 1 0 312.413 2.298 50 0 DEAARO CCC(CC)C[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082137148 683995708 /nfs/dbraw/zinc/99/57/08/683995708.db2.gz KAZOMEVOZNKSSW-UHFFFAOYSA-N 1 0 321.469 2.296 50 0 DEAARO Cc1ncccc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191769941 684436235 /nfs/dbraw/zinc/43/62/35/684436235.db2.gz AMBMESKWFIBIEU-QGZVFWFLSA-N 1 0 313.376 2.420 50 0 DEAARO CCCNC(=O)c1cccc(C[NH2+]C2CCN(OCC)CC2)c1 ZINC000863982707 686602696 /nfs/dbraw/zinc/60/26/96/686602696.db2.gz ZGZQGXSAXVGRSW-UHFFFAOYSA-N 1 0 319.449 2.332 50 0 DEAARO COCC1(C[NH2+][C@@H](C)Cn2cnc3ccccc3c2=O)CCC1 ZINC000824347130 783592726 /nfs/dbraw/zinc/59/27/26/783592726.db2.gz PTFQOTFDOPQXKT-AWEZNQCLSA-N 1 0 315.417 2.191 50 0 DEAARO Cc1cc(Cl)ccc1-n1ncnc1CCCN1CCOCC1 ZINC000825512865 783633249 /nfs/dbraw/zinc/63/32/49/783633249.db2.gz JNENYOREEAJDPA-UHFFFAOYSA-N 1 0 320.824 2.494 50 0 DEAARO COc1ccc(Cc2nc(CC[NH3+])n(-c3cccc(C)n3)n2)cc1 ZINC000827421784 783673982 /nfs/dbraw/zinc/67/39/82/783673982.db2.gz KENKODRCKLEJJB-UHFFFAOYSA-N 1 0 323.400 2.071 50 0 DEAARO O=C(NCc1noc(C2CC2)n1)c1ccc(C[NH+]2CCCC2)o1 ZINC000828166442 783752627 /nfs/dbraw/zinc/75/26/27/783752627.db2.gz IMWJOZVJUCSIEI-UHFFFAOYSA-N 1 0 316.361 2.066 50 0 DEAARO O=C(C1CCOCC1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581798681 784779140 /nfs/dbraw/zinc/77/91/40/784779140.db2.gz ULGIHCCHGAFIEU-QZTJIDSGSA-N 1 0 314.429 2.146 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000581805548 784784252 /nfs/dbraw/zinc/78/42/52/784784252.db2.gz CCEHGWXCVLXFPC-AWEZNQCLSA-N 1 0 311.389 2.336 50 0 DEAARO COc1cccc(Oc2ccc(NC(=O)[C@H]3C=CC[NH2+]3)cn2)c1 ZINC000952867562 792802093 /nfs/dbraw/zinc/80/20/93/792802093.db2.gz PDBGWLNLLLKTNP-OAHLLOKOSA-N 1 0 311.341 2.349 50 0 DEAARO CCCN1C[C@@H]([NH2+]Cc2ccc3cccc(F)c3n2)CC1=O ZINC000952972500 792831041 /nfs/dbraw/zinc/83/10/41/792831041.db2.gz PTASDDHYMNLCIQ-AWEZNQCLSA-N 1 0 301.365 2.474 50 0 DEAARO [NH3+][C@@H](CC(=O)Nc1ccc(Oc2nn[nH]n2)cc1)c1ccccc1 ZINC000952974029 792833802 /nfs/dbraw/zinc/83/38/02/792833802.db2.gz PQCALQVRESVICV-AWEZNQCLSA-N 1 0 324.344 2.021 50 0 DEAARO Cc1nnc(CN2CCC[C@@H](CNC(=O)c3ccoc3)C2)s1 ZINC000952985455 792865383 /nfs/dbraw/zinc/86/53/83/792865383.db2.gz HFUPGLALCIWJHO-LBPRGKRZSA-N 1 0 320.418 2.082 50 0 DEAARO C[N@@H+]1CCC[C@H](C(=O)N2CCCN(Cc3ccsc3)CC2)C1 ZINC001529105524 1070858348 /nfs/dbraw/zinc/85/83/48/1070858348.db2.gz FAGZIENFCRELMH-INIZCTEOSA-N 1 0 321.490 2.124 50 0 DEAARO Cn1ccnc1CC[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC001529159073 1070888191 /nfs/dbraw/zinc/88/81/91/1070888191.db2.gz NGSCXXRKDSSFOH-MRXNPFEDSA-N 1 0 305.447 2.470 50 0 DEAARO Cc1nc[nH]c1C[N@@H+]1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 ZINC001529181370 1070905316 /nfs/dbraw/zinc/90/53/16/1070905316.db2.gz NFTFVBPUQDUWQP-BEFAXECRSA-N 1 0 322.412 2.302 50 0 DEAARO Cc1cc(C(N)=O)c(N(C)CC[C@H](C)[NH+]2CCCC2)nc1C ZINC001506404773 1061947474 /nfs/dbraw/zinc/94/74/74/1061947474.db2.gz ITQRHCNYBRTRJL-ZDUSSCGKSA-N 1 0 304.438 2.108 50 0 DEAARO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1cccc2cnccc21 ZINC001506408564 1061951800 /nfs/dbraw/zinc/95/18/00/1061951800.db2.gz TUTWNHHWMABBDS-CQSZACIVSA-N 1 0 318.442 2.491 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1CCNc1cc(C(F)(F)F)ccn1 ZINC001506416735 1061959000 /nfs/dbraw/zinc/95/90/00/1061959000.db2.gz LDKZKUUIRKIMDC-GFCCVEGCSA-N 1 0 303.328 2.359 50 0 DEAARO Cc1ccnn1CC[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC001506417993 1061963659 /nfs/dbraw/zinc/96/36/59/1061963659.db2.gz PYCFZJCNWSCBQW-UHFFFAOYSA-N 1 0 302.397 2.148 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC001506429655 1061975059 /nfs/dbraw/zinc/97/50/59/1061975059.db2.gz VQUIHSBKKZBRND-UHFFFAOYSA-N 1 0 319.424 2.315 50 0 DEAARO CC[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)[N@H+](C)CC ZINC000822555791 1090637767 /nfs/dbraw/zinc/63/77/67/1090637767.db2.gz NIWPCASBKZXMOL-MRXNPFEDSA-N 1 0 317.433 2.160 50 0 DEAARO Cn1ccc2cc(C[N@H+](C)C3CCS(=O)(=O)CC3)ccc21 ZINC000823668490 1090694594 /nfs/dbraw/zinc/69/45/94/1090694594.db2.gz YCDXLFMLIDICKE-UHFFFAOYSA-N 1 0 306.431 2.187 50 0 DEAARO C[C@@H](O)CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078942310 185132565 /nfs/dbraw/zinc/13/25/65/185132565.db2.gz RGGAPHFJXPOZPK-KGLIPLIRSA-N 1 0 311.470 2.100 50 0 DEAARO C[C@H](O)CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000078942308 185132675 /nfs/dbraw/zinc/13/26/75/185132675.db2.gz RGGAPHFJXPOZPK-KBPBESRZSA-N 1 0 311.470 2.100 50 0 DEAARO COc1cc(Br)ccc1C(=O)NCCC[NH+](C)C ZINC000079333113 185165264 /nfs/dbraw/zinc/16/52/64/185165264.db2.gz GEGFMDKNZUADHJ-UHFFFAOYSA-N 1 0 315.211 2.139 50 0 DEAARO CCNc1nc(NCCNC(=O)c2ccc(C)cc2)cc(C)[nH+]1 ZINC000082230274 185174425 /nfs/dbraw/zinc/17/44/25/185174425.db2.gz LCVQFKOMVHJEMN-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000089977200 185273174 /nfs/dbraw/zinc/27/31/74/185273174.db2.gz DYQDOENPORHUIU-NSHDSACASA-N 1 0 311.376 2.366 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000089948721 185270952 /nfs/dbraw/zinc/27/09/52/185270952.db2.gz WQMVKXFSGSUEJP-YUTCNCBUSA-N 1 0 308.426 2.491 50 0 DEAARO c1ccc(SCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)nc1 ZINC000082099274 192354928 /nfs/dbraw/zinc/35/49/28/192354928.db2.gz JFOMLMVVFLACOU-CQSZACIVSA-N 1 0 308.447 2.492 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000082099572 192356755 /nfs/dbraw/zinc/35/67/55/192356755.db2.gz UWXGJWZOLJXPAQ-AWEZNQCLSA-N 1 0 320.396 2.422 50 0 DEAARO Cc1cc(N2CCC[C@H](c3nccn3CC3CC3)C2)nc(N)[nH+]1 ZINC000082109470 192357361 /nfs/dbraw/zinc/35/73/61/192357361.db2.gz DLTKUCCBHOMVAV-AWEZNQCLSA-N 1 0 312.421 2.358 50 0 DEAARO C[NH+](C)CCn1cc(Nc2ncnc3ccc(F)cc32)cn1 ZINC000092627928 185330497 /nfs/dbraw/zinc/33/04/97/185330497.db2.gz VUGMLQVQENIYHW-UHFFFAOYSA-N 1 0 300.341 2.271 50 0 DEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCc1noc(C2CCCC2)n1 ZINC000095391404 185351624 /nfs/dbraw/zinc/35/16/24/185351624.db2.gz NRCCXONCGYMJNU-CQSZACIVSA-N 1 0 320.437 2.260 50 0 DEAARO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000095405342 185355838 /nfs/dbraw/zinc/35/58/38/185355838.db2.gz VVEJWMOJTHTPSY-GOEBONIOSA-N 1 0 319.453 2.141 50 0 DEAARO c1ccc(CN2CCO[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@@H]32)cc1 ZINC000095414097 185358374 /nfs/dbraw/zinc/35/83/74/185358374.db2.gz NTGQMHKEXXMLGL-GBESFXJTSA-N 1 0 316.445 2.141 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419608 185360099 /nfs/dbraw/zinc/36/00/99/185360099.db2.gz MQBZUUKCAYIVPN-BDAKNGLRSA-N 1 0 307.337 2.189 50 0 DEAARO CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N1CCOCC1)[NH+](C)C ZINC000095450482 185368889 /nfs/dbraw/zinc/36/88/89/185368889.db2.gz HNCNIYNHULJZBC-HOCLYGCPSA-N 1 0 319.449 2.041 50 0 DEAARO Cc1c(C(=O)NC[C@@H]2Cc3ccccc3O2)ccc2c[nH+]cn21 ZINC000095465151 185371809 /nfs/dbraw/zinc/37/18/09/185371809.db2.gz SHZYLAUSDZOQDL-HNNXBMFYSA-N 1 0 307.353 2.376 50 0 DEAARO CSC[C@](C)(O)C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000097017026 185397580 /nfs/dbraw/zinc/39/75/80/185397580.db2.gz OIDKATXVOUGXFU-XHDPSFHLSA-N 1 0 314.426 2.246 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+][C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000097033361 185399716 /nfs/dbraw/zinc/39/97/16/185399716.db2.gz VHVUXDXJKBVCRA-SJORKVTESA-N 1 0 303.381 2.434 50 0 DEAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000097033022 185399796 /nfs/dbraw/zinc/39/97/96/185399796.db2.gz DURXTQHOSBZJCE-VXGBXAGGSA-N 1 0 318.446 2.407 50 0 DEAARO COc1cccc(CCC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000169783729 197754463 /nfs/dbraw/zinc/75/44/63/197754463.db2.gz HYJADECSXPIGQH-KRWDZBQOSA-N 1 0 316.445 2.476 50 0 DEAARO CCn1ccnc1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000083476675 539389357 /nfs/dbraw/zinc/38/93/57/539389357.db2.gz MAEXRUJFPULNSK-UHFFFAOYSA-N 1 0 320.481 2.275 50 0 DEAARO C[NH+](C)CCSCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000083851140 539390206 /nfs/dbraw/zinc/39/02/06/539390206.db2.gz NCWPZJSOUBXCLA-UHFFFAOYSA-N 1 0 307.375 2.260 50 0 DEAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CCc3ccncc3)C2)o1 ZINC000084258908 539394108 /nfs/dbraw/zinc/39/41/08/539394108.db2.gz QTHFHKARXLMVMK-INIZCTEOSA-N 1 0 300.406 2.127 50 0 DEAARO CN(Cc1ccccc1Br)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000299738478 530001318 /nfs/dbraw/zinc/00/13/18/530001318.db2.gz BHMRIWYWMPMVBQ-ZDUSSCGKSA-N 1 0 315.186 2.109 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000090394186 539415737 /nfs/dbraw/zinc/41/57/37/539415737.db2.gz OOARXHPVXQGOAA-DGCLKSJQSA-N 1 0 318.446 2.468 50 0 DEAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000093613200 539432334 /nfs/dbraw/zinc/43/23/34/539432334.db2.gz NZDRUGZOQOFABD-CVEARBPZSA-N 1 0 309.406 2.178 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 ZINC000092758894 539427780 /nfs/dbraw/zinc/42/77/80/539427780.db2.gz IETGUPJMMHSZBQ-BXUZGUMPSA-N 1 0 301.394 2.054 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2(CN3CCOCC3)CCCC2)n1 ZINC000067872416 190730265 /nfs/dbraw/zinc/73/02/65/190730265.db2.gz XWESWATUUPCPNA-INIZCTEOSA-N 1 0 320.481 2.123 50 0 DEAARO CCn1nc(C)cc1C(=O)NCC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000067873001 190730515 /nfs/dbraw/zinc/73/05/15/190730515.db2.gz CHVDDUAPAIRQDX-OAHLLOKOSA-N 1 0 306.454 2.452 50 0 DEAARO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000170677686 197805560 /nfs/dbraw/zinc/80/55/60/197805560.db2.gz LHLHGVUCPQVIGV-OAHLLOKOSA-N 1 0 304.434 2.297 50 0 DEAARO C[N@H+](CCn1cncn1)Cc1cccc(OC(F)(F)F)c1 ZINC000083861144 192388375 /nfs/dbraw/zinc/38/83/75/192388375.db2.gz PZUPGIFVNVVECL-UHFFFAOYSA-N 1 0 300.284 2.309 50 0 DEAARO [NH3+]CCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071770807 191029909 /nfs/dbraw/zinc/02/99/09/191029909.db2.gz SWNZPFYWHOKZBC-LBPRGKRZSA-N 1 0 303.189 2.242 50 0 DEAARO c1ccc(-c2nc3c(c(NC[C@@H]4C[NH2+]CCOC4)n2)CCC3)cc1 ZINC000072126557 191043289 /nfs/dbraw/zinc/04/32/89/191043289.db2.gz SNWVJHDWZMUCJL-AWEZNQCLSA-N 1 0 324.428 2.280 50 0 DEAARO Cc1ccc(F)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072153536 191057345 /nfs/dbraw/zinc/05/73/45/191057345.db2.gz FKYGIYKUILZJBZ-QGZVFWFLSA-N 1 0 308.397 2.053 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000150746732 186062531 /nfs/dbraw/zinc/06/25/31/186062531.db2.gz CNJZKKDOLYDWOW-JSGCOSHPSA-N 1 0 306.406 2.098 50 0 DEAARO C[NH+](C)C[C@H]1CN(Cc2ccc(F)c3cccnc23)CCO1 ZINC000072267646 191090482 /nfs/dbraw/zinc/09/04/82/191090482.db2.gz OBVUZMLNISAKOS-AWEZNQCLSA-N 1 0 303.381 2.136 50 0 DEAARO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000225599392 186282106 /nfs/dbraw/zinc/28/21/06/186282106.db2.gz FXDPOVRHLTXGTM-CJNGLKHVSA-N 1 0 312.454 2.384 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C ZINC000253371010 186301808 /nfs/dbraw/zinc/30/18/08/186301808.db2.gz ZLHMPQHECKCFLB-OHFALNGGSA-N 1 0 302.418 2.048 50 0 DEAARO C[C@@H](C(=O)NCc1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000172013321 198025874 /nfs/dbraw/zinc/02/58/74/198025874.db2.gz SJKDNGXPBKLMKA-AWEZNQCLSA-N 1 0 314.433 2.454 50 0 DEAARO CCCc1nc(C)c(CNc2ncnc3c2CC[NH2+]CC3)s1 ZINC000072407129 191152717 /nfs/dbraw/zinc/15/27/17/191152717.db2.gz FTWVUYCQHAWZKU-UHFFFAOYSA-N 1 0 317.462 2.494 50 0 DEAARO CN(C)Cc1nnc([C@H]2CCC[N@H+](CC3CCCC3)C2)n1C ZINC000072418151 191156300 /nfs/dbraw/zinc/15/63/00/191156300.db2.gz QVASODVUGIMGEG-HNNXBMFYSA-N 1 0 305.470 2.246 50 0 DEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH]n1 ZINC000072421065 191158221 /nfs/dbraw/zinc/15/82/21/191158221.db2.gz SUVOGTSBPXZZCD-UHFFFAOYSA-N 1 0 324.428 2.381 50 0 DEAARO c1coc(-c2nc3c(c(N[C@@H]4CCSC4)n2)CC[NH2+]CC3)c1 ZINC000072435780 191166186 /nfs/dbraw/zinc/16/61/86/191166186.db2.gz MIPXHPSTVZITNW-LLVKDONJSA-N 1 0 316.430 2.342 50 0 DEAARO COc1ccc([C@@H]2SCC(=O)N2CCC[NH+](C)C)cc1OC ZINC000000122892 180699902 /nfs/dbraw/zinc/69/99/02/180699902.db2.gz RDQTVBHSBQKXSB-INIZCTEOSA-N 1 0 324.446 2.230 50 0 DEAARO c1cn([C@@H]2COc3ccccc3C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072478629 191179255 /nfs/dbraw/zinc/17/92/55/191179255.db2.gz PAHHMQKNPWYQHZ-HNNXBMFYSA-N 1 0 321.384 2.026 50 0 DEAARO C[NH+](C)CCNC(=S)NC(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000002955864 353991570 /nfs/dbraw/zinc/99/15/70/353991570.db2.gz PMDVQSPYJZUECM-GCGBMVOASA-N 1 0 323.506 2.145 50 0 DEAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000022027219 354052370 /nfs/dbraw/zinc/05/23/70/354052370.db2.gz RWRZHMOUEJRKMT-TVFCKZIOSA-N 1 0 312.498 2.072 50 0 DEAARO O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CC[NH2+]CC1 ZINC000004350590 181100973 /nfs/dbraw/zinc/10/09/73/181100973.db2.gz QGGRZRQJMKQISZ-QGZVFWFLSA-N 1 0 310.397 2.346 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000004487268 181113498 /nfs/dbraw/zinc/11/34/98/181113498.db2.gz NAEISPDBNQMCTO-MRXNPFEDSA-N 1 0 321.417 2.369 50 0 DEAARO Cc1cccc(Nc2nc(C(=O)NCC[NH+](C)C)cs2)c1 ZINC000004687907 181137150 /nfs/dbraw/zinc/13/71/50/181137150.db2.gz KHWAWCWINQPULS-UHFFFAOYSA-N 1 0 304.419 2.487 50 0 DEAARO O[C@@H](C[NH2+]C1CCOCC1)COc1cccc2ccccc21 ZINC000004729574 181143806 /nfs/dbraw/zinc/14/38/06/181143806.db2.gz GDCRIDBMSPRRDY-INIZCTEOSA-N 1 0 301.386 2.348 50 0 DEAARO O[C@@H](C[NH2+]C[C@H]1OCCc2ccccc21)COc1ccccc1 ZINC000004769858 181149833 /nfs/dbraw/zinc/14/98/33/181149833.db2.gz DOMDGVSFKLBTOO-QFBILLFUSA-N 1 0 313.397 2.330 50 0 DEAARO CCCc1nc(C)c2c(n1)N(CC[NH+]1CCCC1)C(=O)CC2 ZINC000065289340 354681520 /nfs/dbraw/zinc/68/15/20/354681520.db2.gz WTPJZVZQUQWCMF-UHFFFAOYSA-N 1 0 302.422 2.113 50 0 DEAARO O=C(CCn1ccnc1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525149 354817236 /nfs/dbraw/zinc/81/72/36/354817236.db2.gz UQOOPSZWOFRWTN-OAHLLOKOSA-N 1 0 304.438 2.187 50 0 DEAARO O[C@@H](COc1ccccc1Br)C[NH+]1CCCC1 ZINC000004819485 181156832 /nfs/dbraw/zinc/15/68/32/181156832.db2.gz ZPUOKDVHZIOSSX-LLVKDONJSA-N 1 0 300.196 2.285 50 0 DEAARO Cc1ccc(C[NH2+][C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 ZINC000072300614 354900977 /nfs/dbraw/zinc/90/09/77/354900977.db2.gz IGDYIUBEGYDQHR-SWLSCSKDSA-N 1 0 314.451 2.126 50 0 DEAARO C[NH+]1CCC(CCO)(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000075103916 355068865 /nfs/dbraw/zinc/06/88/65/355068865.db2.gz AZGWPEPJIIARDX-UHFFFAOYSA-N 1 0 311.813 2.308 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000078880269 355282127 /nfs/dbraw/zinc/28/21/27/355282127.db2.gz AVHDQNJCRGGLDN-WBVHZDCISA-N 1 0 300.406 2.299 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1[NH+](C)C ZINC000089948489 355549723 /nfs/dbraw/zinc/54/97/23/355549723.db2.gz DNSBWNOWDTWGRV-OCCSQVGLSA-N 1 0 314.385 2.205 50 0 DEAARO Cn1cc(C[N@H+](C)CCN2CCOCC2)c(C2CCCCC2)n1 ZINC000097372981 355703816 /nfs/dbraw/zinc/70/38/16/355703816.db2.gz HKTOPYKKIFBJBZ-UHFFFAOYSA-N 1 0 320.481 2.232 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)Cn1nc(C)cc1C ZINC000110585407 355742864 /nfs/dbraw/zinc/74/28/64/355742864.db2.gz JZIBAORNXFOYJW-ZBFHGGJFSA-N 1 0 321.469 2.062 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1nc(C)no1 ZINC000106909245 355726487 /nfs/dbraw/zinc/72/64/87/355726487.db2.gz JTAHDAHLQJIQGD-MRVWCRGKSA-N 1 0 306.410 2.304 50 0 DEAARO O[C@@H](C[NH+]1CCC2(CC1)OCCO2)c1c[nH]c2ccccc21 ZINC000005196928 181215615 /nfs/dbraw/zinc/21/56/15/181215615.db2.gz WSMXPTAQMGYPBR-INIZCTEOSA-N 1 0 302.374 2.040 50 0 DEAARO COC[C@H]1CN(C(=O)c2ccc(C)c(C)c2)CC12CC[NH2+]CC2 ZINC000169783725 355983135 /nfs/dbraw/zinc/98/31/35/355983135.db2.gz DZBAWMUXKDJONY-QGZVFWFLSA-N 1 0 316.445 2.392 50 0 DEAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2[nH]ccc2C(N)=O)C1 ZINC000169789284 355983772 /nfs/dbraw/zinc/98/37/72/355983772.db2.gz NOTFCFITQPZPFM-NSHDSACASA-N 1 0 304.419 2.258 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000078783610 191931701 /nfs/dbraw/zinc/93/17/01/191931701.db2.gz CUPNPRMSLXAWKQ-ZDUSSCGKSA-N 1 0 305.809 2.308 50 0 DEAARO CO[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000195557554 356256965 /nfs/dbraw/zinc/25/69/65/356256965.db2.gz IJTHJZDBAILCTL-HBNTYKKESA-N 1 0 316.854 2.470 50 0 DEAARO NC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000195562110 356257022 /nfs/dbraw/zinc/25/70/22/356257022.db2.gz YPOJENVNYYGTRV-HOTGVXAUSA-N 1 0 316.449 2.206 50 0 DEAARO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000195554651 356257202 /nfs/dbraw/zinc/25/72/02/356257202.db2.gz BXOVQEQOKPUOIQ-STQMWFEESA-N 1 0 311.813 2.232 50 0 DEAARO O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000195573835 356258885 /nfs/dbraw/zinc/25/88/85/356258885.db2.gz VFKBOGJKQZGKMD-TWMKSMIVSA-N 1 0 321.465 2.118 50 0 DEAARO COCCN(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cn1 ZINC000248809626 356325142 /nfs/dbraw/zinc/32/51/42/356325142.db2.gz CIUOTKMFCOEOGG-SJORKVTESA-N 1 0 319.449 2.165 50 0 DEAARO NC(=O)C1(C[NH2+]Cc2csc3ccccc23)CCOCC1 ZINC000086250447 192556067 /nfs/dbraw/zinc/55/60/67/192556067.db2.gz IYEACPJPMXNZDI-UHFFFAOYSA-N 1 0 304.415 2.273 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(Br)s1 ZINC000237094424 202151554 /nfs/dbraw/zinc/15/15/54/202151554.db2.gz FMMCMVVVOSRRLS-VIFPVBQESA-N 1 0 317.252 2.264 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc3c(c2)OCO3)N1 ZINC000001408210 283270911 /nfs/dbraw/zinc/27/09/11/283270911.db2.gz OFPUKBLKYVMSFD-CQSZACIVSA-N 1 0 307.313 2.262 50 0 DEAARO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@@H](C)C2 ZINC000180100706 199117571 /nfs/dbraw/zinc/11/75/71/199117571.db2.gz OATIFTUVPJNUKI-XJKSGUPXSA-N 1 0 302.418 2.100 50 0 DEAARO C[NH2+]CC1CCN(C(=O)/C=C/c2cc(C)ccc2OC)CC1 ZINC000237343785 202238175 /nfs/dbraw/zinc/23/81/75/202238175.db2.gz OUALEEWWFFMOQZ-FNORWQNLSA-N 1 0 302.418 2.475 50 0 DEAARO O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000187503254 200120632 /nfs/dbraw/zinc/12/06/32/200120632.db2.gz VNQBUADVAXNQRN-QZTJIDSGSA-N 1 0 310.397 2.492 50 0 DEAARO NC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187837478 200164253 /nfs/dbraw/zinc/16/42/53/200164253.db2.gz DQASRHOYRUOCDV-UHFFFAOYSA-N 1 0 316.323 2.282 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237659393 202319958 /nfs/dbraw/zinc/31/99/58/202319958.db2.gz SKYINRQUBYRGFD-GUYCJALGSA-N 1 0 312.417 2.380 50 0 DEAARO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cnn1-c1ccccc1Cl ZINC000188457918 200250411 /nfs/dbraw/zinc/25/04/11/200250411.db2.gz SKJGMFVWZSRPHH-LLVKDONJSA-N 1 0 318.808 2.268 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188437757 200246128 /nfs/dbraw/zinc/24/61/28/200246128.db2.gz HANKDIWJZBNWHS-ATWMFIQVSA-N 1 0 324.428 2.323 50 0 DEAARO O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC[NH2+]CC1 ZINC000237897181 202382883 /nfs/dbraw/zinc/38/28/83/202382883.db2.gz POEJAVYGPKKTDP-UHFFFAOYSA-N 1 0 318.808 2.020 50 0 DEAARO NC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCOCC1 ZINC000189187484 200360941 /nfs/dbraw/zinc/36/09/41/200360941.db2.gz NJRCAOTYRFBTSY-CQSZACIVSA-N 1 0 314.788 2.239 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000006025308 181307055 /nfs/dbraw/zinc/30/70/55/181307055.db2.gz QVDGCHLWYSRQHY-OAHLLOKOSA-N 1 0 312.417 2.391 50 0 DEAARO Cc1nc(C)c(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000670446674 540934512 /nfs/dbraw/zinc/93/45/12/540934512.db2.gz QVURHSPUINLMGW-HNNXBMFYSA-N 1 0 321.421 2.008 50 0 DEAARO COc1ccc2c(c1)CC[C@@H]([NH2+]CCCn1ccccc1=O)C2 ZINC000670457259 540936086 /nfs/dbraw/zinc/93/60/86/540936086.db2.gz GPTDPDAVQSZJOM-QGZVFWFLSA-N 1 0 312.413 2.394 50 0 DEAARO CCNc1ncc(C[NH+]2CCC(Cn3ccnc3)CC2)cn1 ZINC000670460363 540936911 /nfs/dbraw/zinc/93/69/11/540936911.db2.gz ZGZWTKDPDLPLTG-UHFFFAOYSA-N 1 0 300.410 2.017 50 0 DEAARO C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1ccccc1 ZINC000006541484 181352598 /nfs/dbraw/zinc/35/25/98/181352598.db2.gz YFWSLKAVAYQRRE-INIZCTEOSA-N 1 0 308.389 2.377 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(=O)[nH]c1 ZINC000006651139 181364985 /nfs/dbraw/zinc/36/49/85/181364985.db2.gz ZMAHSLUGXXHQDM-AWEZNQCLSA-N 1 0 315.373 2.337 50 0 DEAARO Cc1c(C)n(-c2cccnc2)c2ncn(CCC[NH+](C)C)c(=N)c12 ZINC000006671901 181368659 /nfs/dbraw/zinc/36/86/59/181368659.db2.gz ZFMHFTHKZPKVCV-UHFFFAOYSA-N 1 0 324.432 2.270 50 0 DEAARO CC(C)Oc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)cc1Cl ZINC000091300261 193034863 /nfs/dbraw/zinc/03/48/63/193034863.db2.gz USHDHPAFLAAJOX-LBPRGKRZSA-N 1 0 312.797 2.444 50 0 DEAARO c1nc2ncnc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)c2[nH]1 ZINC000091563365 193073775 /nfs/dbraw/zinc/07/37/75/193073775.db2.gz WGJSFWJDEBBLHZ-ZIAGYGMSSA-N 1 0 312.421 2.054 50 0 DEAARO Cc1cc(C[C@H](C)[NH2+]Cc2cc(=O)c3cccc(F)c3[nH]2)[nH]n1 ZINC000091475731 193060941 /nfs/dbraw/zinc/06/09/41/193060941.db2.gz PPUADYZIGCOYOF-JTQLQIEISA-N 1 0 314.364 2.420 50 0 DEAARO CCC[C@H]1CN(C(C)=O)C[C@@H]1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000091950582 193130758 /nfs/dbraw/zinc/13/07/58/193130758.db2.gz AWGTWPMYAQIECK-FSDCSDTHSA-N 1 0 323.481 2.013 50 0 DEAARO CC(C)c1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000091951728 193131639 /nfs/dbraw/zinc/13/16/39/193131639.db2.gz NXWWGWIPUDLWSQ-HZPDHXFCSA-N 1 0 321.465 2.324 50 0 DEAARO Cc1nc2ccsc2c(N2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000091965467 193133800 /nfs/dbraw/zinc/13/38/00/193133800.db2.gz UFRLLMKAKOFWTR-MRXNPFEDSA-N 1 0 320.462 2.283 50 0 DEAARO C[NH2+]CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000092062144 193150931 /nfs/dbraw/zinc/15/09/31/193150931.db2.gz OHRGTERLMIHTLB-HNNXBMFYSA-N 1 0 312.417 2.221 50 0 DEAARO COc1ccccc1OCCCN(C)c1cc(C)[nH+]c(N)n1 ZINC000092106978 193160657 /nfs/dbraw/zinc/16/06/57/193160657.db2.gz QPNGOKONCHHKMO-UHFFFAOYSA-N 1 0 302.378 2.281 50 0 DEAARO [NH3+]CCCOC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000094071250 193343154 /nfs/dbraw/zinc/34/31/54/193343154.db2.gz QUTIBUNGQHZRRS-UHFFFAOYSA-N 1 0 310.825 2.239 50 0 DEAARO O=C(Cc1noc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000095954439 193457579 /nfs/dbraw/zinc/45/75/79/193457579.db2.gz BXDSHUVPAGIDIN-UHFFFAOYSA-N 1 0 313.401 2.457 50 0 DEAARO O=C(NCc1ccsc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096413070 193625296 /nfs/dbraw/zinc/62/52/96/193625296.db2.gz LPSBNDJUSGNIME-AWEZNQCLSA-N 1 0 323.462 2.048 50 0 DEAARO CCC(CC)(CCO)[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O ZINC000282448253 217002774 /nfs/dbraw/zinc/00/27/74/217002774.db2.gz LQTPGHXNERKXJL-CQSZACIVSA-N 1 0 320.433 2.331 50 0 DEAARO Cc1nc(Cl)cc(N(C)C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000096447425 193650344 /nfs/dbraw/zinc/65/03/44/193650344.db2.gz MRNPRIDBGWYPNI-CYBMUJFWSA-N 1 0 324.856 2.376 50 0 DEAARO CC(C)Oc1ccc(C(=O)N2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000014958181 181977982 /nfs/dbraw/zinc/97/79/82/181977982.db2.gz MGXCWQVCDSLFME-KRWDZBQOSA-N 1 0 320.433 2.267 50 0 DEAARO OCCOc1cccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000097360134 193710712 /nfs/dbraw/zinc/71/07/12/193710712.db2.gz KCVXTOLNQPPCHG-UHFFFAOYSA-N 1 0 305.418 2.450 50 0 DEAARO Cc1nn2c(nc(C[N@H+](C)Cc3ccccc3)cc2=O)s1 ZINC000015731812 182014505 /nfs/dbraw/zinc/01/45/05/182014505.db2.gz 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CC(C)[NH+]1CCC(NC(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000046319916 183559570 /nfs/dbraw/zinc/55/95/70/183559570.db2.gz DRYXGKIYSDRJSN-NRFANRHFSA-N 1 0 308.447 2.027 50 0 DEAARO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)NC[C@H]1CCOC1 ZINC000106649319 194240424 /nfs/dbraw/zinc/24/04/24/194240424.db2.gz NJMNOHWPPFOYDF-QZTJIDSGSA-N 1 0 316.445 2.236 50 0 DEAARO COCC[N@@H+]1CCN(Cc2nc3ccccc3nc2C)C[C@@H]1C ZINC000106786661 194252107 /nfs/dbraw/zinc/25/21/07/194252107.db2.gz GUFMTEDNPOJMPA-AWEZNQCLSA-N 1 0 314.433 2.091 50 0 DEAARO CC1=NN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000057554278 184041778 /nfs/dbraw/zinc/04/17/78/184041778.db2.gz DSWROGUOGAEZNL-OAHLLOKOSA-N 1 0 312.417 2.239 50 0 DEAARO O=C(Nc1cn[nH]c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000058230258 184092017 /nfs/dbraw/zinc/09/20/17/184092017.db2.gz OWMSSKVALKEHJB-UHFFFAOYSA-N 1 0 302.403 2.211 50 0 DEAARO [NH2+]=C(NCCCNC(=O)c1ccccc1)NCc1ccccc1 ZINC000058356447 184108492 /nfs/dbraw/zinc/10/84/92/184108492.db2.gz BIPZFLUUKBBVCU-UHFFFAOYSA-N 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O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnsn1 ZINC000119680561 195015768 /nfs/dbraw/zinc/01/57/68/195015768.db2.gz RLNZEYXEQALPEQ-NSHDSACASA-N 1 0 322.459 2.242 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(-c2ccncc2)on1 ZINC000299751886 532997901 /nfs/dbraw/zinc/99/79/01/532997901.db2.gz SDSSBPCGMYQYFA-BXUZGUMPSA-N 1 0 300.362 2.079 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2F)n1 ZINC000158582795 197285692 /nfs/dbraw/zinc/28/56/92/197285692.db2.gz ZCTIHSIAAIJSDG-CQSZACIVSA-N 1 0 316.380 2.192 50 0 DEAARO CCc1c(C(=O)N2CCC[C@H]([NH3+])C2)cnn1Cc1ccccc1 ZINC000158211832 197253097 /nfs/dbraw/zinc/25/30/97/197253097.db2.gz IJTCWGPFEOFVBK-HNNXBMFYSA-N 1 0 312.417 2.057 50 0 DEAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000288836567 220461118 /nfs/dbraw/zinc/46/11/18/220461118.db2.gz VLYNZASPUZCXCT-CZUORRHYSA-N 1 0 320.408 2.336 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000156158463 197090625 /nfs/dbraw/zinc/09/06/25/197090625.db2.gz UWCXYNFKDILNNZ-OCCSQVGLSA-N 1 0 310.463 2.484 50 0 DEAARO CC(C)(C[NH2+][C@H](Cc1ccccn1)C1CC1)N1CCOCC1 ZINC000155352031 197047047 /nfs/dbraw/zinc/04/70/47/197047047.db2.gz RSSCVHJXIUWBPB-QGZVFWFLSA-N 1 0 303.450 2.103 50 0 DEAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc[nH]c1=O ZINC000222536577 256594134 /nfs/dbraw/zinc/59/41/34/256594134.db2.gz RHXWKIRCRCKICN-CYBMUJFWSA-N 1 0 303.406 2.172 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000237485588 257238261 /nfs/dbraw/zinc/23/82/61/257238261.db2.gz UVCWSZCUYVEOJJ-LFECJLGQSA-N 1 0 310.401 2.224 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCOc1ccc(F)cc1F ZINC000237469084 257239129 /nfs/dbraw/zinc/23/91/29/257239129.db2.gz PPQWMLOEYJEYMT-YPMHNXCESA-N 1 0 312.360 2.462 50 0 DEAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000070148984 257253721 /nfs/dbraw/zinc/25/37/21/257253721.db2.gz KAGDSCMIDMVOLG-LLVKDONJSA-N 1 0 301.312 2.444 50 0 DEAARO C[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)[C@H]1C[NH3+] 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C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000000812173 401702939 /nfs/dbraw/zinc/70/29/39/401702939.db2.gz LTQJKHIHHJDLLD-BETUJISGSA-N 1 0 304.390 2.374 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccsc1)[C@H](C)n1cccn1 ZINC000072269768 401704761 /nfs/dbraw/zinc/70/47/61/401704761.db2.gz PUFDECPXYUAXHS-OLZOCXBDSA-N 1 0 306.435 2.142 50 0 DEAARO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000072269147 401704765 /nfs/dbraw/zinc/70/47/65/401704765.db2.gz XENJAMUDHZGBDS-DLBZAZTESA-N 1 0 316.445 2.022 50 0 DEAARO CCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072297698 401707688 /nfs/dbraw/zinc/70/76/88/401707688.db2.gz MWARGTICMZWLLD-HNNXBMFYSA-N 1 0 305.422 2.427 50 0 DEAARO CC[C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000014083579 401806446 /nfs/dbraw/zinc/80/64/46/401806446.db2.gz PWNFRHDSUQNLLG-VIFPVBQESA-N 1 0 309.435 2.052 50 0 DEAARO CC(C)(C)c1cc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)[nH]n1 ZINC000077358914 401811830 /nfs/dbraw/zinc/81/18/30/401811830.db2.gz 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CCN1C(=O)N(C)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014538610 401812114 /nfs/dbraw/zinc/81/21/14/401812114.db2.gz HBVSBRFWLNJSHZ-AWEZNQCLSA-N 1 0 305.422 2.091 50 0 DEAARO CCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077454583 401815735 /nfs/dbraw/zinc/81/57/35/401815735.db2.gz ORBRBCUVMJEKDF-SFHVURJKSA-N 1 0 316.449 2.400 50 0 DEAARO OCc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000015065015 401815876 /nfs/dbraw/zinc/81/58/76/401815876.db2.gz JNNPROZCMAYJFP-SFHVURJKSA-N 1 0 304.434 2.470 50 0 DEAARO COc1ccc(-c2ccc(CNCC[NH2+]CCO)o2)cc1Cl ZINC000032497010 401879130 /nfs/dbraw/zinc/87/91/30/401879130.db2.gz FPWIOXVFWOEFCM-UHFFFAOYSA-N 1 0 324.808 2.280 50 0 DEAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000032611303 401880412 /nfs/dbraw/zinc/88/04/12/401880412.db2.gz SKOSWTDDWISSSF-UHFFFAOYSA-N 1 0 314.433 2.393 50 0 DEAARO Cc1ccc2[nH]c(=O)n(C3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000035310177 401898571 /nfs/dbraw/zinc/89/85/71/401898571.db2.gz YTAGXFHCBLRULY-UHFFFAOYSA-N 1 0 315.417 2.454 50 0 in-vitro DEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000042907898 401935837 /nfs/dbraw/zinc/93/58/37/401935837.db2.gz AOJZLHYUAYYVDL-OAHLLOKOSA-N 1 0 322.368 2.401 50 0 DEAARO COCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036096245 401902005 /nfs/dbraw/zinc/90/20/05/401902005.db2.gz ZKXRXMGJXDYZBA-MRXNPFEDSA-N 1 0 313.413 2.308 50 0 DEAARO O=C(c1ccc(F)c(F)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103485 401902545 /nfs/dbraw/zinc/90/25/45/401902545.db2.gz VDHWNGSCHPUBJD-UHFFFAOYSA-N 1 0 324.371 2.149 50 0 DEAARO CCNc1cc(NCCNC(=O)Nc2ccccc2)nc(C)[nH+]1 ZINC000036708106 401906339 /nfs/dbraw/zinc/90/63/39/401906339.db2.gz AKHCSQGIOBKYQW-UHFFFAOYSA-N 1 0 314.393 2.450 50 0 DEAARO CC(C)CC[NH+]1CCC(CNC(=O)N2CCOC[C@H]2C)CC1 ZINC000084715346 401909063 /nfs/dbraw/zinc/90/90/63/401909063.db2.gz FFZNVXXWLWTAAR-OAHLLOKOSA-N 1 0 311.470 2.175 50 0 DEAARO Fc1cccc([C@@H](C[NH2+]Cc2cc[nH]c2)N2CCOCC2)c1 ZINC000086251975 401921947 /nfs/dbraw/zinc/92/19/47/401921947.db2.gz 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COC(=O)CC[C@@H](C)[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000012706974 683844001 /nfs/dbraw/zinc/84/40/01/683844001.db2.gz VWXJGLPBOIVGLR-OAHLLOKOSA-N 1 0 324.465 2.443 50 0 DEAARO C/C=C(\C)C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(C)CC2)C1 ZINC000015065250 683850079 /nfs/dbraw/zinc/85/00/79/683850079.db2.gz RQVNVVWLGDSAHS-XOVDAKGOSA-N 1 0 307.482 2.219 50 0 DEAARO CCc1cc(N[C@H](C)c2nncn2C)nc(N2CCCCC2)[nH+]1 ZINC000065460787 683923442 /nfs/dbraw/zinc/92/34/42/683923442.db2.gz RHASTAQRBNVVEM-GFCCVEGCSA-N 1 0 315.425 2.331 50 0 DEAARO CC(C)CC[N@@H+]1CCC=C(CCNC(=O)N2CCOCC2)C1 ZINC000067560721 683924850 /nfs/dbraw/zinc/92/48/50/683924850.db2.gz NZZWBFRGBLAXLN-UHFFFAOYSA-N 1 0 309.454 2.097 50 0 DEAARO O=c1[nH]c2cc3c(cc2cc1C[N@H+]1CCC[C@H](CO)C1)CCC3 ZINC000067975647 683925762 /nfs/dbraw/zinc/92/57/62/683925762.db2.gz OFBHTJKYCWAEHZ-ZDUSSCGKSA-N 1 0 312.413 2.221 50 0 DEAARO CCn1nc(Cc2ccc(OC)cc2)nc1CC1CC[NH2+]CC1 ZINC000096153791 684053428 /nfs/dbraw/zinc/05/34/28/684053428.db2.gz BSRZIBMTSAXISN-UHFFFAOYSA-N 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CC(C)Sc1nnc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC001506425751 1061970886 /nfs/dbraw/zinc/97/08/86/1061970886.db2.gz GCOFSOULNCZZTB-VIFPVBQESA-N 1 0 312.464 2.367 50 0 DEAARO CN(C)c1nccnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000823743822 1090696069 /nfs/dbraw/zinc/69/60/69/1090696069.db2.gz JQHCFWXQNOKJRC-UHFFFAOYSA-N 1 0 312.421 2.014 50 0 DEAARO CC(C)[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NS(C)(=O)=O ZINC000095506750 185375662 /nfs/dbraw/zinc/37/56/62/185375662.db2.gz HJGJVSICUJKHEK-DLBZAZTESA-N 1 0 324.490 2.125 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NCc2csc(N(C)C)n2)CC1 ZINC000095512827 185376519 /nfs/dbraw/zinc/37/65/19/185376519.db2.gz ANYNCXIQOHFZJM-UHFFFAOYSA-N 1 0 324.494 2.336 50 0 DEAARO C[C@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076981089 185063395 /nfs/dbraw/zinc/06/33/95/185063395.db2.gz CBTYAHNGNQOIGX-CJNGLKHVSA-N 1 0 302.422 2.268 50 0 DEAARO C[C@@H](O)c1cccc(N2CCC[N@H+](Cc3cccnc3)CC2)n1 ZINC000095523460 185377629 /nfs/dbraw/zinc/37/76/29/185377629.db2.gz RGYAWYIZUQGFNH-OAHLLOKOSA-N 1 0 312.417 2.242 50 0 DEAARO COCCc1nc(CCC[NH+](C)C)n(-c2ccccc2F)n1 ZINC000095524612 185377737 /nfs/dbraw/zinc/37/77/37/185377737.db2.gz MXTSDKQLCQAWEP-UHFFFAOYSA-N 1 0 306.385 2.090 50 0 DEAARO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)o1 ZINC000095529105 185378409 /nfs/dbraw/zinc/37/84/09/185378409.db2.gz ATINSINAFVGDQQ-INIZCTEOSA-N 1 0 321.465 2.427 50 0 DEAARO O=C1OCCN1CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078922811 185129265 /nfs/dbraw/zinc/12/92/65/185129265.db2.gz YTIIEOUWRMOEIE-ZDUSSCGKSA-N 1 0 314.389 2.195 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC(O)CC1 ZINC000044893066 295679278 /nfs/dbraw/zinc/67/92/78/295679278.db2.gz CRSLMXVESQQVHC-CQSZACIVSA-N 1 0 323.462 2.051 50 0 DEAARO CCOc1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000089988755 185275122 /nfs/dbraw/zinc/27/51/22/185275122.db2.gz ARQYRNJENLBSJK-MFKMUULPSA-N 1 0 311.813 2.156 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000089949036 185271061 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COc1ccccc1[C@@H](C)[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000095423660 185361091 /nfs/dbraw/zinc/36/10/91/185361091.db2.gz YYTCLIYTNVEEHT-RHSMWYFYSA-N 1 0 320.433 2.229 50 0 DEAARO Cc1cccnc1NC(=O)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000095444970 185367253 /nfs/dbraw/zinc/36/72/53/185367253.db2.gz COBVDERTKUVPGQ-CVEARBPZSA-N 1 0 317.433 2.344 50 0 DEAARO Cc1cc(NCC[NH2+][C@@H]2CCCCC2(C)C)n2ncnc2n1 ZINC000095457179 185370338 /nfs/dbraw/zinc/37/03/38/185370338.db2.gz MYORVHOFFXBSCZ-CYBMUJFWSA-N 1 0 302.426 2.403 50 0 DEAARO Cc1cc(C(=O)N2CCC(C[NH3+])CC2)c2ccc(F)cc2n1 ZINC000097019485 185398007 /nfs/dbraw/zinc/39/80/07/185398007.db2.gz AWBIKPNOAPILBM-UHFFFAOYSA-N 1 0 301.365 2.493 50 0 DEAARO C[NH2+]C[C@H]1CCCN1Cc1ccc(OC)c(OC(F)F)c1 ZINC000097020362 185398305 /nfs/dbraw/zinc/39/83/05/185398305.db2.gz DDORDYSIKKDZPB-GFCCVEGCSA-N 1 0 300.349 2.480 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1Cc1ccc(OC)c(OC(F)F)c1 ZINC000097020361 185398314 /nfs/dbraw/zinc/39/83/14/185398314.db2.gz DDORDYSIKKDZPB-LBPRGKRZSA-N 1 0 300.349 2.480 50 0 DEAARO CC(C)(C[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O)CC1CCOCC1 ZINC000097033390 185399590 /nfs/dbraw/zinc/39/95/90/185399590.db2.gz MVFUTTXTDKQTHE-HUUCEWRRSA-N 1 0 317.495 2.385 50 0 DEAARO Cn1cc([C@](C)(O)C[NH2+][C@H]2CCCc3cc(F)ccc32)cn1 ZINC000097033362 185399860 /nfs/dbraw/zinc/39/98/60/185399860.db2.gz VHVUXDXJKBVCRA-DLBZAZTESA-N 1 0 303.381 2.434 50 0 DEAARO C[NH2+]C1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000179140176 529955901 /nfs/dbraw/zinc/95/59/01/529955901.db2.gz VKPAANBIXPILLA-UHFFFAOYSA-N 1 0 318.808 2.350 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)[C@@H](CC)C1 ZINC000083830481 539390848 /nfs/dbraw/zinc/39/08/48/539390848.db2.gz NCKXJDBNIRLZBN-AGIUHOORSA-N 1 0 308.426 2.320 50 0 DEAARO CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)n1cccn1)[NH+](C)C ZINC000084410301 539395073 /nfs/dbraw/zinc/39/50/73/539395073.db2.gz JVMPPOCSZQYQPV-IAGOWNOFSA-N 1 0 314.433 2.175 50 0 DEAARO NC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000086250780 539403501 /nfs/dbraw/zinc/40/35/01/539403501.db2.gz CRGUQUDYULYAPN-UHFFFAOYSA-N 1 0 317.216 2.365 50 0 DEAARO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC(=O)N2CCCCCC2)[nH]n1 ZINC000090528151 539416950 /nfs/dbraw/zinc/41/69/50/539416950.db2.gz ZRWOQHGIVKWCFI-UONOGXRCSA-N 1 0 306.454 2.420 50 0 DEAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(COC)o1)CC2 ZINC000093613199 539431399 /nfs/dbraw/zinc/43/13/99/539431399.db2.gz NZDRUGZOQOFABD-HZPDHXFCSA-N 1 0 309.406 2.178 50 0 DEAARO C[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1 ZINC000069870256 190830710 /nfs/dbraw/zinc/83/07/10/190830710.db2.gz AAXZGTQOXUBXAH-SRVKXCTJSA-N 1 0 321.812 2.498 50 0 DEAARO CC(C)(C)c1cnc(CN2CC[NH+](C[C@H](O)C(C)(C)C)CC2)o1 ZINC000069877006 190833248 /nfs/dbraw/zinc/83/32/48/190833248.db2.gz WIIXYPBKMQDQAA-AWEZNQCLSA-N 1 0 323.481 2.497 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000071142897 190935770 /nfs/dbraw/zinc/93/57/70/190935770.db2.gz FFXOWHRJZMAGHI-GFCCVEGCSA-N 1 0 300.324 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COc1cccc([C@H]2C[N@H+](C)C[C@@H]2NC(=O)C2CCCC2)c1 ZINC000091602548 193078977 /nfs/dbraw/zinc/07/89/77/193078977.db2.gz ZXGMSNNZTOFGFW-SJORKVTESA-N 1 0 302.418 2.399 50 0 DEAARO OC[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091474871 193061213 /nfs/dbraw/zinc/06/12/13/193061213.db2.gz AQYLFRWOPRROEL-HUUCEWRRSA-N 1 0 310.388 2.101 50 0 DEAARO CC(C)c1nnc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000091487102 193063521 /nfs/dbraw/zinc/06/35/21/193063521.db2.gz VYIWBOCTMMDVPV-ZIAGYGMSSA-N 1 0 324.494 2.192 50 0 DEAARO Cc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091769999 193105554 /nfs/dbraw/zinc/10/55/54/193105554.db2.gz UPKOQAKPFYTYNV-UHFFFAOYSA-N 1 0 316.445 2.192 50 0 DEAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)C[NH3+])C1 ZINC000091907657 193124900 /nfs/dbraw/zinc/12/49/00/193124900.db2.gz BXHFVCBJIPJBRY-CQSZACIVSA-N 1 0 316.380 2.100 50 0 DEAARO Nc1nc(NCCc2c[nH]c3ccccc23)cc(C2CC(O)C2)[nH+]1 ZINC000222447934 201611938 /nfs/dbraw/zinc/61/19/38/201611938.db2.gz 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/nfs/dbraw/zinc/67/42/91/181674291.db2.gz BQZOCICZIMYZGT-HZPDHXFCSA-N 1 0 324.490 2.474 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH+]1CCCCCCC1 ZINC000012030284 181724539 /nfs/dbraw/zinc/72/45/39/181724539.db2.gz LCWNFLGQFHPZJZ-GOSISDBHSA-N 1 0 308.466 2.406 50 0 DEAARO CC(C)(C)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012703286 181789586 /nfs/dbraw/zinc/78/95/86/181789586.db2.gz KQGOAZPHIOTERT-KRWDZBQOSA-N 1 0 308.397 2.067 50 0 DEAARO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1(C(N)=O)CCOCC1 ZINC000282716358 217197307 /nfs/dbraw/zinc/19/73/07/217197307.db2.gz RJLGEVVQHWSYHN-GFCCVEGCSA-N 1 0 310.825 2.143 50 0 DEAARO c1cn(CC[NH+]2CCN(c3cncc4ccccc43)CC2)cn1 ZINC000282723196 217203065 /nfs/dbraw/zinc/20/30/65/217203065.db2.gz CBZXFKCURIWJBE-UHFFFAOYSA-N 1 0 307.401 2.254 50 0 DEAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2OC)CC1 ZINC000016603832 182052232 /nfs/dbraw/zinc/05/22/32/182052232.db2.gz SELCIZCRPCHAJG-AWEZNQCLSA-N 1 0 320.433 2.453 50 0 DEAARO CCOC(=O)N1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000016663171 182056828 /nfs/dbraw/zinc/05/68/28/182056828.db2.gz QOKYUYXIDDEKQA-UHFFFAOYSA-N 1 0 322.405 2.414 50 0 DEAARO COc1ccc(OCC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019787435 182148493 /nfs/dbraw/zinc/14/84/93/182148493.db2.gz NKJVAAMVZAOKOK-UHFFFAOYSA-N 1 0 318.417 2.161 50 0 DEAARO CCc1ccc(C[N@@H+]2CCC[C@H](Cn3cc(CO)nn3)C2)s1 ZINC000020166500 182193987 /nfs/dbraw/zinc/19/39/87/182193987.db2.gz SBBAFKSZUZNDDV-ZDUSSCGKSA-N 1 0 320.462 2.307 50 0 DEAARO CC1=C(CC[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)C(C)(C)CCC1 ZINC000020204482 182197770 /nfs/dbraw/zinc/19/77/70/182197770.db2.gz AMMALYVOAPJMMN-ROUUACIJSA-N 1 0 322.493 2.280 50 0 DEAARO C[NH+]1CCN(CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020818900 182247628 /nfs/dbraw/zinc/24/76/28/182247628.db2.gz FJBMNJADOZKDMD-UHFFFAOYSA-N 1 0 323.440 2.331 50 0 DEAARO Cc1cc(CN(C)CC[N@@H+]2CCOc3ccccc3C2)[nH]n1 ZINC000020877951 182251353 /nfs/dbraw/zinc/25/13/53/182251353.db2.gz UYZUHBXDSXWDKY-UHFFFAOYSA-N 1 0 300.406 2.045 50 0 DEAARO C[NH+]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000022461268 182322160 /nfs/dbraw/zinc/32/21/60/182322160.db2.gz VTRGHYUYVMVOQU-UHFFFAOYSA-N 1 0 315.339 2.281 50 0 DEAARO Cc1ccc(NC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000023248831 182354595 /nfs/dbraw/zinc/35/45/95/182354595.db2.gz ADGABVCNPZHIPQ-UHFFFAOYSA-N 1 0 316.449 2.240 50 0 DEAARO CC(=O)N1CCC([N@@H+]2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000023340515 182357692 /nfs/dbraw/zinc/35/76/92/182357692.db2.gz OSHBQMZAWSGACG-SFHVURJKSA-N 1 0 320.408 2.080 50 0 DEAARO O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@@H](O)C1 ZINC000023709570 182366358 /nfs/dbraw/zinc/36/63/58/182366358.db2.gz RJZHHRNFYKGDKQ-HZPDHXFCSA-N 1 0 301.386 2.036 50 0 DEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccnn2C)C1 ZINC000681465970 542152189 /nfs/dbraw/zinc/15/21/89/542152189.db2.gz RBNXJOJJTDPBGC-ZFWWWQNUSA-N 1 0 313.405 2.377 50 0 DEAARO CCCCc1nc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c[nH]1 ZINC000039421470 183017902 /nfs/dbraw/zinc/01/79/02/183017902.db2.gz YYHOEQATSCHPMU-MRXNPFEDSA-N 1 0 308.470 2.029 50 0 DEAARO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)c1 ZINC000041139139 183171520 /nfs/dbraw/zinc/17/15/20/183171520.db2.gz LFDVBVKWFKZUTI-UHFFFAOYSA-N 1 0 309.413 2.416 50 0 DEAARO COc1ccc(F)c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000104521428 194013004 /nfs/dbraw/zinc/01/30/04/194013004.db2.gz SKVWYXMNLCKRQC-MRXNPFEDSA-N 1 0 324.440 2.359 50 0 DEAARO O=C(NCc1cccnc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048234324 183630361 /nfs/dbraw/zinc/63/03/61/183630361.db2.gz PXCSALBRMFGHDF-OAHLLOKOSA-N 1 0 314.389 2.311 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000053203078 183892506 /nfs/dbraw/zinc/89/25/06/183892506.db2.gz WOTJORYBKAWDPS-VIFPVBQESA-N 1 0 323.245 2.366 50 0 DEAARO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000110646160 194345970 /nfs/dbraw/zinc/34/59/70/194345970.db2.gz PWGFNXILOHDUAY-ZIAGYGMSSA-N 1 0 303.431 2.410 50 0 DEAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000057352201 184034905 /nfs/dbraw/zinc/03/49/05/184034905.db2.gz SJHWSBCDIVVSIS-CHWSQXEVSA-N 1 0 317.433 2.450 50 0 DEAARO CC1=NN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000058210016 184088377 /nfs/dbraw/zinc/08/83/77/184088377.db2.gz FGXMGTLRLPZKCZ-UHFFFAOYSA-N 1 0 314.433 2.344 50 0 DEAARO O[C@@H](COCc1cccs1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058217653 184089754 /nfs/dbraw/zinc/08/97/54/184089754.db2.gz BKOYNVBCABNQGV-CQSZACIVSA-N 1 0 321.446 2.228 50 0 DEAARO CNC(=O)NC(=O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000058228671 184091034 /nfs/dbraw/zinc/09/10/34/184091034.db2.gz LYHVKVRNTVLAFT-UHFFFAOYSA-N 1 0 316.188 2.028 50 0 DEAARO COC(=O)c1oc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000058365255 184109305 /nfs/dbraw/zinc/10/93/05/184109305.db2.gz PMYRTGMGQOVTMX-CQSZACIVSA-N 1 0 306.406 2.435 50 0 DEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)C2CCCC2)CC1 ZINC000065288781 184323296 /nfs/dbraw/zinc/32/32/96/184323296.db2.gz WNEMTAUCNIEFTF-KRWDZBQOSA-N 1 0 307.482 2.195 50 0 DEAARO C[C@H](CC(F)(F)F)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000065371410 184330046 /nfs/dbraw/zinc/33/00/46/184330046.db2.gz DLSQABSZNODKTR-SECBINFHSA-N 1 0 315.295 2.033 50 0 DEAARO CCc1c(C)nn(CC[NH2+]CCC(=O)N2CCC[C@H](C)C2)c1C ZINC000065375239 184331147 /nfs/dbraw/zinc/33/11/47/184331147.db2.gz QOQVCFSQXQWXGT-AWEZNQCLSA-N 1 0 320.481 2.301 50 0 DEAARO C[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 ZINC000065426142 184342631 /nfs/dbraw/zinc/34/26/31/184342631.db2.gz LJROJGWOVBHBGP-CYBMUJFWSA-N 1 0 316.401 2.172 50 0 DEAARO Cc1cc(C)n(CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)n1 ZINC000065458861 184348595 /nfs/dbraw/zinc/34/85/95/184348595.db2.gz LWXSEGHEGACXRN-UHFFFAOYSA-N 1 0 310.405 2.465 50 0 DEAARO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000065463603 184349288 /nfs/dbraw/zinc/34/92/88/184349288.db2.gz PIOTTXQFZCMYCC-ZDUSSCGKSA-N 1 0 315.751 2.483 50 0 DEAARO COc1ccccc1[C@@H](O)C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000065464433 184349669 /nfs/dbraw/zinc/34/96/69/184349669.db2.gz ZYUZZFAJYGVKAC-ZDUSSCGKSA-N 1 0 309.797 2.214 50 0 DEAARO COc1ccccc1[C@H](O)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000065487478 184352610 /nfs/dbraw/zinc/35/26/10/184352610.db2.gz RULMLFNLGXBZPQ-OAHLLOKOSA-N 1 0 303.406 2.470 50 0 DEAARO Cn1cc(C[N@H+](C)C[C@@H]2CCCN(CCO)C2)c2ccccc21 ZINC000065499829 184355322 /nfs/dbraw/zinc/35/53/22/184355322.db2.gz UINVVESXNNCCJD-INIZCTEOSA-N 1 0 315.461 2.314 50 0 DEAARO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000065500381 184355562 /nfs/dbraw/zinc/35/55/62/184355562.db2.gz GIZRIAFLYNJJBR-OAHLLOKOSA-N 1 0 303.406 2.102 50 0 DEAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000069534724 184524210 /nfs/dbraw/zinc/52/42/10/184524210.db2.gz JQKOMARHAAOXOE-STQMWFEESA-N 1 0 305.382 2.056 50 0 DEAARO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158242616 197256267 /nfs/dbraw/zinc/25/62/67/197256267.db2.gz JUWVITFSMYYUSW-MNOVXSKESA-N 1 0 316.323 2.422 50 0 DEAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H](C)[NH3+])cc1OC ZINC000157319136 197179303 /nfs/dbraw/zinc/17/93/03/197179303.db2.gz NPDKPFAYDSKCMY-ZFWWWQNUSA-N 1 0 320.433 2.365 50 0 DEAARO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2[NH+]1CCCC1 ZINC000032603927 285197998 /nfs/dbraw/zinc/19/79/98/285197998.db2.gz JUINYAXHAOBLRR-CQSZACIVSA-N 1 0 303.406 2.125 50 0 DEAARO Fc1cccnc1N1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156321180 197104676 /nfs/dbraw/zinc/10/46/76/197104676.db2.gz HQFQWVYDVLSMSQ-CQSZACIVSA-N 1 0 321.396 2.075 50 0 DEAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000000489166 285222359 /nfs/dbraw/zinc/22/23/59/285222359.db2.gz WIVHHJZQKWCBGX-HFTRVMKXSA-N 1 0 310.397 2.001 50 0 DEAARO CN(C(=O)CCc1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000179103745 256591160 /nfs/dbraw/zinc/59/11/60/256591160.db2.gz XKHYPQGFXAFXCB-GFCCVEGCSA-N 1 0 316.323 2.338 50 0 DEAARO Cc1cnc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cn1 ZINC000252498236 256612213 /nfs/dbraw/zinc/61/22/13/256612213.db2.gz UJJANVFEISHPHP-KFWWJZLASA-N 1 0 302.422 2.262 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)C1 ZINC000216495325 257273327 /nfs/dbraw/zinc/27/33/27/257273327.db2.gz HZKLQVAGAUPJQA-NWDGAFQWSA-N 1 0 316.323 2.371 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000237134868 257239574 /nfs/dbraw/zinc/23/95/74/257239574.db2.gz SBHHEVLSTLZVNW-AWEZNQCLSA-N 1 0 305.397 2.250 50 0 DEAARO Cc1cc(C[NH2+][C@H]2CCC(=O)N(C)C2)ccc1Br ZINC000073852750 401723804 /nfs/dbraw/zinc/72/38/04/401723804.db2.gz BHFNEGCZEHQVKE-LBPRGKRZSA-N 1 0 311.223 2.468 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2cccc(O)c2)C1 ZINC000074062371 401729398 /nfs/dbraw/zinc/72/93/98/401729398.db2.gz RGHSIANPXWIVPS-OAHLLOKOSA-N 1 0 305.422 2.060 50 0 DEAARO C[C@@H](NCC(C)(C)C[NH+](C)C)C(=O)NCCc1ccc(F)cc1 ZINC000007015263 401735212 /nfs/dbraw/zinc/73/52/12/401735212.db2.gz IGYUBPDFDWHIHY-CQSZACIVSA-N 1 0 323.456 2.050 50 0 DEAARO CC[NH+](CC)CCN(CCOC)c1ncnc2sccc21 ZINC000075107037 401749118 /nfs/dbraw/zinc/74/91/18/401749118.db2.gz LFGJVNCGIRABQV-UHFFFAOYSA-N 1 0 308.451 2.486 50 0 DEAARO CCN1C(=O)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000000053073 401687618 /nfs/dbraw/zinc/68/76/18/401687618.db2.gz QMPXTDFIZSMXBR-INIZCTEOSA-N 1 0 300.402 2.089 50 0 DEAARO O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CC[NH2+]C1CCCCC1 ZINC000000105276 401688074 /nfs/dbraw/zinc/68/80/74/401688074.db2.gz IERQTSBMCSZRRZ-KGLIPLIRSA-N 1 0 310.825 2.426 50 0 DEAARO O=S(=O)(c1cccc(NC2CC[NH2+]CC2)c1)C(F)(F)F ZINC000000154322 401688821 /nfs/dbraw/zinc/68/88/21/401688821.db2.gz ROFHAFYHOWVRTC-UHFFFAOYSA-N 1 0 308.325 2.144 50 0 DEAARO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)o1 ZINC000071885759 401692209 /nfs/dbraw/zinc/69/22/09/401692209.db2.gz WITRKISPMWZBGO-UHFFFAOYSA-N 1 0 301.390 2.441 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000071892871 401693288 /nfs/dbraw/zinc/69/32/88/401693288.db2.gz MXIHLEJLDBAMCW-INIZCTEOSA-N 1 0 322.884 2.337 50 0 DEAARO Fc1ccc(CC2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000071897018 401693850 /nfs/dbraw/zinc/69/38/50/401693850.db2.gz GHQPESMAJJOYBP-UHFFFAOYSA-N 1 0 306.425 2.412 50 0 DEAARO C[C@H](O)C1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000071897304 401693981 /nfs/dbraw/zinc/69/39/81/401693981.db2.gz WOEWMPHWSYTUAJ-LBPRGKRZSA-N 1 0 310.825 2.049 50 0 DEAARO C[N@H+](CC(=O)NCc1ccc(Br)cc1F)C1CC1 ZINC000071898185 401694369 /nfs/dbraw/zinc/69/43/69/401694369.db2.gz DLPIDUMSCLAYQZ-UHFFFAOYSA-N 1 0 315.186 2.299 50 0 DEAARO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)s1 ZINC000071908333 401695552 /nfs/dbraw/zinc/69/55/52/401695552.db2.gz VMINVKPSWRFAOL-CQSZACIVSA-N 1 0 308.447 2.442 50 0 DEAARO CCN1CCN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000071925816 401698049 /nfs/dbraw/zinc/69/80/49/401698049.db2.gz WINFAUPDACNVID-MRXNPFEDSA-N 1 0 312.502 2.090 50 0 DEAARO COc1nc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc2ccccc21 ZINC000072095174 401703252 /nfs/dbraw/zinc/70/32/52/401703252.db2.gz UCEYGMIQBQEGQP-LBPRGKRZSA-N 1 0 313.401 2.456 50 0 DEAARO Clc1cc(N[C@H]2COC[C@@H]2[NH+]2CCCC2)nc2[nH]ccc21 ZINC000072152488 401703598 /nfs/dbraw/zinc/70/35/98/401703598.db2.gz VMLCMGOZNQRZKU-STQMWFEESA-N 1 0 306.797 2.491 50 0 DEAARO O=C(N[C@@H]1CCc2nccn2C1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072255115 401704227 /nfs/dbraw/zinc/70/42/27/401704227.db2.gz PYOZJMPLVYQFRS-SJLPKXTDSA-N 1 0 324.428 2.151 50 0 DEAARO O=C(NCc1cccc(Cl)c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000072274015 401705382 /nfs/dbraw/zinc/70/53/82/401705382.db2.gz SWPFJRWUOMRAHR-CABCVRRESA-N 1 0 323.824 2.002 50 0 DEAARO Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C[NH2+]C(C)(C)C)n1 ZINC000072279976 401706029 /nfs/dbraw/zinc/70/60/29/401706029.db2.gz PQAKGDUKPAOKKE-OAHLLOKOSA-N 1 0 306.454 2.269 50 0 DEAARO Cc1cc(N2CC[NH+](C)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002232170 401713082 /nfs/dbraw/zinc/71/30/82/401713082.db2.gz UTEUIRVCHFFWSR-UHFFFAOYSA-N 1 0 307.401 2.457 50 0 DEAARO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000002661988 401716518 /nfs/dbraw/zinc/71/65/18/401716518.db2.gz IISUGOAWMSSHGE-CQSZACIVSA-N 1 0 305.399 2.480 50 0 DEAARO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013450789 401800247 /nfs/dbraw/zinc/80/02/47/401800247.db2.gz XRTJXPJQATUXQS-WFASDCNBSA-N 1 0 302.374 2.202 50 0 DEAARO CC[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000014083577 401806236 /nfs/dbraw/zinc/80/62/36/401806236.db2.gz PWNFRHDSUQNLLG-SECBINFHSA-N 1 0 309.435 2.052 50 0 DEAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C)[nH]c2=O)c1 ZINC000075125518 401750168 /nfs/dbraw/zinc/75/01/68/401750168.db2.gz LOQIQSHNSJROKP-UHFFFAOYSA-N 1 0 313.401 2.065 50 0 DEAARO C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000008706504 401755053 /nfs/dbraw/zinc/75/50/53/401755053.db2.gz YQFXQFNEYLNEMA-ZIAGYGMSSA-N 1 0 300.406 2.390 50 0 DEAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009577640 401764000 /nfs/dbraw/zinc/76/40/00/401764000.db2.gz XUAHJDSNFJPVDS-UHFFFAOYSA-N 1 0 307.785 2.247 50 0 DEAARO C[NH+](C)CC[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1 ZINC000011813865 401776752 /nfs/dbraw/zinc/77/67/52/401776752.db2.gz LSHSTGGGVXOBKB-AWEZNQCLSA-N 1 0 319.380 2.100 50 0 DEAARO O=C1O[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2N1CCc1ccccn1 ZINC000011820941 401776880 /nfs/dbraw/zinc/77/68/80/401776880.db2.gz XDRRZNNHDJSNFE-JKSUJKDBSA-N 1 0 301.390 2.072 50 0 DEAARO COc1ccccc1C1(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC1 ZINC000076050823 401779061 /nfs/dbraw/zinc/77/90/61/401779061.db2.gz FNZSOHORXYKYBB-HIFRSBDPSA-N 1 0 302.418 2.135 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@H](c1cccs1)[NH+](C)C ZINC000012485812 401786787 /nfs/dbraw/zinc/78/67/87/401786787.db2.gz POUCQNWIHITFRG-LLVKDONJSA-N 1 0 302.407 2.140 50 0 DEAARO O=C1C[C@@H]([NH2+]CCCn2cccn2)CN1CC1CCCCC1 ZINC000012572154 401788069 /nfs/dbraw/zinc/78/80/69/401788069.db2.gz HXPGJKSYAKUNCJ-MRXNPFEDSA-N 1 0 304.438 2.044 50 0 DEAARO c1ccc(C[NH+]2CCCCC2)c(CNc2ccc3nnnn3n2)c1 ZINC000012789486 401791581 /nfs/dbraw/zinc/79/15/81/401791581.db2.gz OQFPBSZPOSYZRT-UHFFFAOYSA-N 1 0 323.404 2.117 50 0 DEAARO CCCC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000013003693 401795202 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COc1cc2c(cc1C[NH2+][C@H](C)Cn1ccnc1)O[C@H](C)C2 ZINC000030909792 401867226 /nfs/dbraw/zinc/86/72/26/401867226.db2.gz OGILDRROQKYULC-CHWSQXEVSA-N 1 0 301.390 2.393 50 0 DEAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc[n+]([O-])cc1 ZINC000015075019 401815986 /nfs/dbraw/zinc/81/59/86/401815986.db2.gz DGDGWMFKDYUIGO-QGZVFWFLSA-N 1 0 317.433 2.095 50 0 DEAARO COc1ccc([C@@H](CNc2nccc(OC)n2)[NH+](C)C)cc1 ZINC000015114929 401816049 /nfs/dbraw/zinc/81/60/49/401816049.db2.gz DRFZRWGPNMQLFG-CQSZACIVSA-N 1 0 302.378 2.209 50 0 DEAARO O=C(Nc1nncs1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043130021 401937472 /nfs/dbraw/zinc/93/74/72/401937472.db2.gz UCOJWZTZUMLABP-UHFFFAOYSA-N 1 0 317.418 2.278 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(=O)[nH]n1)c1ccsc1 ZINC000031988999 401876005 /nfs/dbraw/zinc/87/60/05/401876005.db2.gz HDQXMIJJEFOJOT-CYBMUJFWSA-N 1 0 320.418 2.057 50 0 DEAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@@H]1NC(C)=NO1 ZINC000032617176 401880417 /nfs/dbraw/zinc/88/04/17/401880417.db2.gz 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CCO[C@H]1C[C@H]([NH2+]C2CCN(CCOC)CC2)C12CCCC2 ZINC000089986142 401977598 /nfs/dbraw/zinc/97/75/98/401977598.db2.gz GZRSJFZVAPCUER-IRXDYDNUSA-N 1 0 310.482 2.425 50 0 DEAARO Cc1nn(C)c2ncc(C[NH2+]CC3(N(C)C)CCCC3)cc12 ZINC000048353502 401998866 /nfs/dbraw/zinc/99/88/66/401998866.db2.gz PVJIHMGWCYAOMT-UHFFFAOYSA-N 1 0 301.438 2.241 50 0 DEAARO O[C@@]1(C[NH2+]C2CCN(c3ccccn3)CC2)CCc2ccccc21 ZINC000090795920 401987185 /nfs/dbraw/zinc/98/71/85/401987185.db2.gz KCZSSNKGKAVXOY-HXUWFJFHSA-N 1 0 323.440 2.474 50 0 DEAARO CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cn1 ZINC000089305778 401941823 /nfs/dbraw/zinc/94/18/23/401941823.db2.gz JFDRWFLMFOLVKN-QGZVFWFLSA-N 1 0 312.417 2.297 50 0 DEAARO CC(C)[C@@H](CNc1ncnc2ccsc21)[NH+]1CCN(C)CC1 ZINC000044406413 401942140 /nfs/dbraw/zinc/94/21/40/401942140.db2.gz BNZSQZQSRAXREZ-CQSZACIVSA-N 1 0 319.478 2.375 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000089414377 401945339 /nfs/dbraw/zinc/94/53/39/401945339.db2.gz ILFONULHNYLMFF-UHFFFAOYSA-N 1 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CC(C)([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc(Cl)c1 ZINC000095985286 402042890 /nfs/dbraw/zinc/04/28/90/402042890.db2.gz PNSFKDRFIFUKTF-CQSZACIVSA-N 1 0 310.825 2.148 50 0 DEAARO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000095991147 402043664 /nfs/dbraw/zinc/04/36/64/402043664.db2.gz YMFUIFQYHDIZMJ-YAJUMTOWSA-N 1 0 307.438 2.448 50 0 DEAARO COCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000096000091 402045385 /nfs/dbraw/zinc/04/53/85/402045385.db2.gz WNWIPNNUJHLSGX-CQSZACIVSA-N 1 0 320.437 2.364 50 0 DEAARO O=C(CC[NH2+]C1CCN(c2nccs2)CC1)NC1CCCC1 ZINC000096004901 402045607 /nfs/dbraw/zinc/04/56/07/402045607.db2.gz DHQBMQKZEQEHJE-UHFFFAOYSA-N 1 0 322.478 2.150 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122315170 402072074 /nfs/dbraw/zinc/07/20/74/402072074.db2.gz KPKPRVVJUMAPSF-QMMMGPOBSA-N 1 0 301.159 2.152 50 0 DEAARO CCn1ccnc1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000096402913 402077892 /nfs/dbraw/zinc/07/78/92/402077892.db2.gz OCGINQYBWIYZOO-QGZVFWFLSA-N 1 0 320.481 2.104 50 0 DEAARO COc1c(C)cc([C@H](C(=O)[O-])[N@H+](C)CCC[NH+](C)C)cc1C ZINC000055255729 402078998 /nfs/dbraw/zinc/07/89/98/402078998.db2.gz JZJXIVZRACKFQZ-OAHLLOKOSA-N 1 0 308.422 2.321 50 0 DEAARO Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000096430759 402085220 /nfs/dbraw/zinc/08/52/20/402085220.db2.gz IVZZWMUOTUQCJI-CRAIPNDOSA-N 1 0 316.445 2.453 50 0 DEAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1ccnc1-c1ccncc1 ZINC000096435806 402086118 /nfs/dbraw/zinc/08/61/18/402086118.db2.gz ASDPVRVEAVJQOD-GOSISDBHSA-N 1 0 322.412 2.438 50 0 DEAARO CCOC(=O)C1(C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000096444701 402088778 /nfs/dbraw/zinc/08/87/78/402088778.db2.gz KCZKTJLQQFGCAK-AWEZNQCLSA-N 1 0 322.449 2.243 50 0 DEAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)nnn2C ZINC000096482511 402093848 /nfs/dbraw/zinc/09/38/48/402093848.db2.gz ZBAYJZFEAFDMKS-UHFFFAOYSA-N 1 0 309.373 2.330 50 0 DEAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COC)CC1 ZINC000057527300 402095444 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Cc1ccc(CN(C)c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)s1 ZINC000244678966 402447983 /nfs/dbraw/zinc/44/79/83/402447983.db2.gz INFVOPDWDVJOCQ-PHIMTYICSA-N 1 0 304.419 2.303 50 0 DEAARO [NH3+]CCCOC1CCN(C(=O)c2cccc(F)c2Cl)CC1 ZINC000165367765 402475555 /nfs/dbraw/zinc/47/55/55/402475555.db2.gz VBAKJEWGUMPOMN-UHFFFAOYSA-N 1 0 314.788 2.449 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000178335879 402486608 /nfs/dbraw/zinc/48/66/08/402486608.db2.gz HZOZEFUWLVZZAP-GFCCVEGCSA-N 1 0 316.430 2.277 50 0 DEAARO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O ZINC000167472217 402491914 /nfs/dbraw/zinc/49/19/14/402491914.db2.gz BHHOWADKIVUGPW-SQHYZVFZSA-N 1 0 318.483 2.133 50 0 DEAARO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCCCC1 ZINC000170591719 402506071 /nfs/dbraw/zinc/50/60/71/402506071.db2.gz IISDMLZZPOILSK-HZPDHXFCSA-N 1 0 318.527 2.300 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000178534136 402508859 /nfs/dbraw/zinc/50/88/59/402508859.db2.gz 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ZINC000252666595 402660007 /nfs/dbraw/zinc/66/00/07/402660007.db2.gz BZULBLVMDUINRW-INMHGKMJSA-N 1 0 324.490 2.267 50 0 DEAARO CCOC(=O)CNc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000252488807 402655323 /nfs/dbraw/zinc/65/53/23/402655323.db2.gz IZJBPJPQGRBLCI-UHFFFAOYSA-N 1 0 305.422 2.192 50 0 DEAARO Cc1cccc(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)c1C ZINC000261717994 402716097 /nfs/dbraw/zinc/71/60/97/402716097.db2.gz LQFBMGIDPXOCNN-KRWDZBQOSA-N 1 0 315.461 2.342 50 0 DEAARO CC(C)(C)n1ncnc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000253392331 402663365 /nfs/dbraw/zinc/66/33/65/402663365.db2.gz DIOVPRJJKWHJOI-GDBMZVCRSA-N 1 0 317.481 2.482 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000255172926 402681178 /nfs/dbraw/zinc/68/11/78/402681178.db2.gz GXDIJLIDRUULBU-QEAXDZPNSA-N 1 0 318.417 2.303 50 0 DEAARO O=C(c1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000257182412 402700763 /nfs/dbraw/zinc/70/07/63/402700763.db2.gz GLTKLFYXULXACH-INIZCTEOSA-N 1 0 302.418 2.261 50 0 DEAARO c1ccc2c(c1)ncnc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282268702 403138546 /nfs/dbraw/zinc/13/85/46/403138546.db2.gz OKLYYFWAGBNSKQ-OAHLLOKOSA-N 1 0 312.417 2.178 50 0 DEAARO C[C@@]1(O)CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000271009008 403253141 /nfs/dbraw/zinc/25/31/41/403253141.db2.gz WXNQQNMNSJVWIK-LJQANCHMSA-N 1 0 316.445 2.272 50 0 DEAARO O=C(CCCn1cccn1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000299764283 403567771 /nfs/dbraw/zinc/56/77/71/403567771.db2.gz RFZMNTVIOHTBHZ-UHFFFAOYSA-N 1 0 304.438 2.046 50 0 DEAARO [NH3+]CCCOc1ccc(C(=O)N2CC(c3cccnc3)C2)cc1 ZINC000299777843 403572208 /nfs/dbraw/zinc/57/22/08/403572208.db2.gz OSUSOOGSYVJDMU-UHFFFAOYSA-N 1 0 311.385 2.049 50 0 DEAARO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000299780216 403573030 /nfs/dbraw/zinc/57/30/30/403573030.db2.gz BTRXSVYSKZBKHZ-AWEZNQCLSA-N 1 0 302.422 2.169 50 0 DEAARO Cn1nccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338419735 404369528 /nfs/dbraw/zinc/36/95/28/404369528.db2.gz BYXIYFYOWUAJFC-ZDUSSCGKSA-N 1 0 321.812 2.498 50 0 DEAARO Fc1ccc(N2CC[C@H]([NH2+]Cc3cnc4cnccn34)C2)cc1 ZINC000414579534 404685830 /nfs/dbraw/zinc/68/58/30/404685830.db2.gz JCPWEDLJXWOZAC-AWEZNQCLSA-N 1 0 311.364 2.237 50 0 DEAARO Cn1c(Sc2ccc(Cl)cn2)nnc1C1CC[NH2+]CC1 ZINC000426423050 405359474 /nfs/dbraw/zinc/35/94/74/405359474.db2.gz PFHIFFHCQRLCJX-UHFFFAOYSA-N 1 0 309.826 2.482 50 0 DEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1cccc(Cl)c1Cl ZINC000426478055 405362624 /nfs/dbraw/zinc/36/26/24/405362624.db2.gz RWJBNDRGDMEBCY-ZDUSSCGKSA-N 1 0 318.204 2.229 50 0 DEAARO Cn1c(CC[NH3+])nnc1SCc1cccc(OC(F)F)c1 ZINC000426563129 405368869 /nfs/dbraw/zinc/36/88/69/405368869.db2.gz SNYWTFLCGOZFNX-UHFFFAOYSA-N 1 0 314.361 2.210 50 0 DEAARO CCc1nc2ccccc2n1CCC(=O)NC1CCOCC1 ZINC000426589981 405370287 /nfs/dbraw/zinc/37/02/87/405370287.db2.gz NBSNCWIBHUIZGP-UHFFFAOYSA-N 1 0 301.390 2.284 50 0 DEAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cccn1C ZINC000252536400 287188323 /nfs/dbraw/zinc/18/83/23/287188323.db2.gz ILZSCCLEMIFZQG-LSDHHAIUSA-N 1 0 321.465 2.111 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1 ZINC000132793474 196284145 /nfs/dbraw/zinc/28/41/45/196284145.db2.gz OTAWPWMKWNYRRW-AWEZNQCLSA-N 1 0 315.421 2.145 50 0 DEAARO NC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000133005667 196303869 /nfs/dbraw/zinc/30/38/69/196303869.db2.gz JYKASIINRRBUAP-CVEARBPZSA-N 1 0 302.418 2.188 50 0 DEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C ZINC000133194139 196319508 /nfs/dbraw/zinc/31/95/08/196319508.db2.gz XSKPOLYFFXYZAR-GFCCVEGCSA-N 1 0 302.827 2.021 50 0 DEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCOC1 ZINC000192971836 225146743 /nfs/dbraw/zinc/14/67/43/225146743.db2.gz GJBABEPVRNZRDY-QGZVFWFLSA-N 1 0 304.434 2.394 50 0 DEAARO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1 ZINC000241213401 225214394 /nfs/dbraw/zinc/21/43/94/225214394.db2.gz KOMVZBMAGYHRJW-UMVBOHGHSA-N 1 0 313.825 2.091 50 0 DEAARO COc1ccc([C@@H]2Nc3ncnn3[C@H](c3ccccc3)[C@H]2[NH3+])cc1 ZINC000245235289 225217589 /nfs/dbraw/zinc/21/75/89/225217589.db2.gz IWWSVINQONJVDG-YESZJQIVSA-N 1 0 321.384 2.370 50 0 DEAARO CCS(=O)(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000408519638 227240583 /nfs/dbraw/zinc/24/05/83/227240583.db2.gz JZJGSHSSTRSAJA-UHFFFAOYSA-N 1 0 300.468 2.233 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000046341929 424820884 /nfs/dbraw/zinc/82/08/84/424820884.db2.gz MTPKEAIBUIARRM-HIFRSBDPSA-N 1 0 307.390 2.167 50 0 DEAARO C[C@H](C[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000252512314 424888252 /nfs/dbraw/zinc/88/82/52/424888252.db2.gz PHAFBIXQFWRGFT-HZPDHXFCSA-N 1 0 324.490 2.394 50 0 DEAARO O[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)COc1ccc(F)c(F)c1 ZINC000657871813 425412229 /nfs/dbraw/zinc/41/22/29/425412229.db2.gz CIRKHPQLLZGXNB-NWDGAFQWSA-N 1 0 313.344 2.006 50 0 DEAARO c1cn(CCC[N@@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000097034139 275072732 /nfs/dbraw/zinc/07/27/32/275072732.db2.gz UELRVZRMHOLJIE-UHFFFAOYSA-N 1 0 324.432 2.362 50 0 DEAARO CCOC(=O)[C@@H]1C[C@]2(c3cccc(C)c3NC2=O)[N@@H+]2CCC[C@@H]12 ZINC000015022594 276289338 /nfs/dbraw/zinc/28/93/38/276289338.db2.gz DZKLHXXOODGCMW-UVBSCNOISA-N 1 0 314.385 2.190 50 0 DEAARO C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)[NH+]1CCCC1 ZINC000012380638 278151000 /nfs/dbraw/zinc/15/10/00/278151000.db2.gz SIKQLCHVECJLPS-MRXNPFEDSA-N 1 0 316.445 2.335 50 0 DEAARO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249410862 278309307 /nfs/dbraw/zinc/30/93/07/278309307.db2.gz XVYYPEIDDFIVQM-GDBMZVCRSA-N 1 0 322.474 2.321 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010339846 278363660 /nfs/dbraw/zinc/36/36/60/278363660.db2.gz YDPJAVDMBNCHMQ-CQSZACIVSA-N 1 0 303.406 2.448 50 0 DEAARO CCN1CCN(C(=O)CC2CC[NH+](CC3(C)CCC3)CC2)CC1 ZINC000225580053 279338809 /nfs/dbraw/zinc/33/88/09/279338809.db2.gz HPTMDPKMAZCCTC-UHFFFAOYSA-N 1 0 321.509 2.443 50 0 DEAARO CC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000095976166 280201826 /nfs/dbraw/zinc/20/18/26/280201826.db2.gz FYDFVHKOBCBLNC-MRXNPFEDSA-N 1 0 305.422 2.352 50 0 DEAARO CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH2+]CC2 ZINC000072435432 294682862 /nfs/dbraw/zinc/68/28/62/294682862.db2.gz DGGGGAFZNVSMGJ-CVEARBPZSA-N 1 0 302.418 2.150 50 0 DEAARO [NH3+]C1CC(c2cc(N3CCCC4(CCOCC4)C3)ncn2)C1 ZINC000219648594 295210641 /nfs/dbraw/zinc/21/06/41/295210641.db2.gz JIGBCANGRBOPPA-UHFFFAOYSA-N 1 0 302.422 2.078 50 0 DEAARO O=C(NC1CCCC1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091364614 295614959 /nfs/dbraw/zinc/61/49/59/295614959.db2.gz MODZMTXJMNKDDG-HZPDHXFCSA-N 1 0 323.481 2.055 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000299761251 334257884 /nfs/dbraw/zinc/25/78/84/334257884.db2.gz YJDBBFRUDNRFLN-OAHLLOKOSA-N 1 0 314.788 2.008 50 0 DEAARO Cc1cnn([C@H](C)CNC(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000534584543 334291578 /nfs/dbraw/zinc/29/15/78/334291578.db2.gz OYCDNDYLYXWNAV-CQSZACIVSA-N 1 0 316.405 2.371 50 0 DEAARO Cn1ncc(Cl)c1C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000534586733 334292207 /nfs/dbraw/zinc/29/22/07/334292207.db2.gz RXYKXZVTMBSXDY-LLVKDONJSA-N 1 0 310.829 2.068 50 0 DEAARO COc1cc2c(cc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CCC2 ZINC000534587828 334292662 /nfs/dbraw/zinc/29/26/62/334292662.db2.gz LGYBDRKMZVZSFI-MRXNPFEDSA-N 1 0 317.433 2.029 50 0 DEAARO CCCn1cc(CNC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000534634323 334308826 /nfs/dbraw/zinc/30/88/26/334308826.db2.gz CEXFPSKDNZNKMS-CQSZACIVSA-N 1 0 319.453 2.061 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2nn(C)c3ccc(C)cc23)C1 ZINC000534675214 334320244 /nfs/dbraw/zinc/32/02/44/334320244.db2.gz LBPBLGZWBVKXBY-ZDUSSCGKSA-N 1 0 316.405 2.202 50 0 DEAARO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1c(Cl)ccc(F)c1Cl ZINC000299752083 533715125 /nfs/dbraw/zinc/71/51/25/533715125.db2.gz SRIVNKVSUAAQJW-PJKMHFRUSA-N 1 0 321.179 2.033 50 0 DEAARO Cc1cc(C)c(C)c(OC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016994372 337352058 /nfs/dbraw/zinc/35/20/58/337352058.db2.gz RIFUKZDWMMEXHW-UXLLHSPISA-N 1 0 307.434 2.461 50 0 DEAARO CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000096419268 337381871 /nfs/dbraw/zinc/38/18/71/337381871.db2.gz WLMXEIHFSLRBKP-CHWSQXEVSA-N 1 0 308.447 2.386 50 0 DEAARO CN(CCC[NH+]1CCCCC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000097103391 337382215 /nfs/dbraw/zinc/38/22/15/337382215.db2.gz ALCAPYHHFOCNNY-HOTGVXAUSA-N 1 0 316.511 2.150 50 0 DEAARO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000162862097 337383469 /nfs/dbraw/zinc/38/34/69/337383469.db2.gz LMURDAXWRFYRPI-GOSISDBHSA-N 1 0 323.481 2.001 50 0 DEAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1occc1CN(C)C ZINC000390832641 533864810 /nfs/dbraw/zinc/86/48/10/533864810.db2.gz ZAJMVRHGQCJBQF-KFWWJZLASA-N 1 0 321.465 2.437 50 0 DEAARO COc1ccccc1-c1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248184093 533919331 /nfs/dbraw/zinc/91/93/31/533919331.db2.gz GJRFPRSTXPWPDL-INIZCTEOSA-N 1 0 324.428 2.432 50 0 DEAARO C/C=C/c1ccc(OCC(=O)N2CCC[C@H]([NH2+]C)C2)c(OC)c1 ZINC000133486277 518552896 /nfs/dbraw/zinc/55/28/96/518552896.db2.gz WOOMIRHVXUQIBV-DRDHIDPGSA-N 1 0 318.417 2.318 50 0 DEAARO O=c1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)nc2ccccn12 ZINC000338312940 527479042 /nfs/dbraw/zinc/47/90/42/527479042.db2.gz FNQRPVMFHFTCMP-OAHLLOKOSA-N 1 0 321.380 2.178 50 0 DEAARO Cc1c[nH+]ccc1N1CCN(Cc2[nH]nc3c2CCCC3)CC1 ZINC000019867375 625858126 /nfs/dbraw/zinc/85/81/26/625858126.db2.gz FIXKFEZVAKMXFA-UHFFFAOYSA-N 1 0 311.433 2.314 50 0 DEAARO C[NH+]1CCN(c2ncnc3ccc(-c4cccnc4)cc32)CC1 ZINC000004258380 633142192 /nfs/dbraw/zinc/14/21/92/633142192.db2.gz MDCLMFLFAKHOEI-UHFFFAOYSA-N 1 0 305.385 2.444 50 0 DEAARO O[C@H](COc1ccccc1CN1CCCO1)C[NH+]1CCCCC1 ZINC000012058596 635976354 /nfs/dbraw/zinc/97/63/54/635976354.db2.gz VNKKOQDSGGTUBN-KRWDZBQOSA-N 1 0 320.433 2.050 50 0 DEAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](CC(C)(C)C)CC2 ZINC000012191103 636049167 /nfs/dbraw/zinc/04/91/67/636049167.db2.gz PQUHJAAZZBQNBC-CYBMUJFWSA-N 1 0 321.469 2.016 50 0 DEAARO COC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012313831 636150994 /nfs/dbraw/zinc/15/09/94/636150994.db2.gz RXMCKXWMKBDFGI-MRXNPFEDSA-N 1 0 324.465 2.491 50 0 DEAARO Cc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc2n1 ZINC000173940323 646785634 /nfs/dbraw/zinc/78/56/34/646785634.db2.gz MABKZMBKNUAMDN-QGZVFWFLSA-N 1 0 311.429 2.450 50 0 DEAARO CNC(=O)C1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000179823115 648423342 /nfs/dbraw/zinc/42/33/42/648423342.db2.gz SJMFFPHMQUAGHI-UHFFFAOYSA-N 1 0 302.418 2.358 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc[nH]n2)C12CCC2 ZINC000858228403 652284651 /nfs/dbraw/zinc/28/46/51/652284651.db2.gz ZEOAKSMLDGIGDI-CYBMUJFWSA-N 1 0 306.410 2.431 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)ccc2OC)C1 ZINC000068524952 683926806 /nfs/dbraw/zinc/92/68/06/683926806.db2.gz BNZGUUDDHGDYAD-AWEZNQCLSA-N 1 0 321.421 2.093 50 0 DEAARO CN1CCN([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)CC1 ZINC000097756367 684055419 /nfs/dbraw/zinc/05/54/19/684055419.db2.gz YGMHZUQEPUNICX-QGZVFWFLSA-N 1 0 310.445 2.057 50 0 DEAARO Cc1cc(NC(=O)CCc2c[nH]cn2)ccc1C(=O)NC(C)C ZINC000193203562 685035188 /nfs/dbraw/zinc/03/51/88/685035188.db2.gz FEFFQPCJXWTLSZ-UHFFFAOYSA-N 1 0 314.389 2.428 50 0 DEAARO COc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(OC)c1 ZINC000253413672 685196428 /nfs/dbraw/zinc/19/64/28/685196428.db2.gz VKAGOEAJDFLFNW-HNNXBMFYSA-N 1 0 321.417 2.210 50 0 DEAARO O=C1C[C@@H]2CCCC[C@]2(C[NH+]2CCN(Cc3ccco3)CC2)O1 ZINC000585120933 790316250 /nfs/dbraw/zinc/31/62/50/790316250.db2.gz YCMIXTMERFIGSF-MAUKXSAKSA-N 1 0 318.417 2.273 50 0 DEAARO CC(C)Oc1ccc(CCNC(=O)/C=C2/CC[N@H+](C)C2)cc1 ZINC000585120932 790316741 /nfs/dbraw/zinc/31/67/41/790316741.db2.gz XWHZTZDYRHQDOY-VBKFSLOCSA-N 1 0 302.418 2.394 50 0 DEAARO COc1ncc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)cn1 ZINC000824852069 783610750 /nfs/dbraw/zinc/61/07/50/783610750.db2.gz OUCYQIVDAGQBLX-OAHLLOKOSA-N 1 0 301.394 2.127 50 0 DEAARO Cc1oc(-c2cccc(NC(=O)C3CCOCC3)c2)nc1C[NH3+] ZINC000827469526 783674548 /nfs/dbraw/zinc/67/45/48/783674548.db2.gz KIUPBYDEHZZYAK-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/79/07/54/792790754.db2.gz PVEBMOBCTQTHLW-UHFFFAOYSA-N 1 0 320.462 2.303 50 0 DEAARO CCn1ncnc1C[NH2+][C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000952980748 792846671 /nfs/dbraw/zinc/84/66/71/792846671.db2.gz XVQCJZKEYJICBH-OAHLLOKOSA-N 1 0 317.412 2.191 50 0 DEAARO Cc1noc(C)c1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529144017 1070882876 /nfs/dbraw/zinc/88/28/76/1070882876.db2.gz CGMUQDADGILDQX-NMWPEEMBSA-N 1 0 305.422 2.482 50 0 DEAARO Cn1ccc2cc(C[N@H+]3C[C@@H](Cc4cnccn4)[C@H](O)C3)ccc21 ZINC001529167953 1070896461 /nfs/dbraw/zinc/89/64/61/1070896461.db2.gz UCPKGZLFUDFLQB-VQIMIIECSA-N 1 0 322.412 2.004 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC001506396408 1061934341 /nfs/dbraw/zinc/93/43/41/1061934341.db2.gz AAEWZXWNOSQHOB-MRXNPFEDSA-N 1 0 319.424 2.313 50 0 DEAARO Cc1ccc(N2CCC([NH2+]CC(=O)N3CCCC3)CC2)cc1 ZINC001506400224 1061938624 /nfs/dbraw/zinc/93/86/24/1061938624.db2.gz JHRCBJNLSWJXDY-UHFFFAOYSA-N 1 0 301.434 2.176 50 0 DEAARO CCn1ncnc1[C@H](C)NC1CC[NH+](Cc2ccco2)CC1 ZINC001506418916 1061965395 /nfs/dbraw/zinc/96/53/95/1061965395.db2.gz UYCZSEAVNYPDGV-ZDUSSCGKSA-N 1 0 303.410 2.206 50 0 DEAARO Oc1cccc([C@H](O)C[NH2+]C2CCN(Cc3ccco3)CC2)c1 ZINC001506429542 1061976196 /nfs/dbraw/zinc/97/61/96/1061976196.db2.gz UISNNHKXMHPUMM-GOSISDBHSA-N 1 0 316.401 2.273 50 0 DEAARO CCC1CC[NH+](CCNc2ncccc2C(=O)N(C)C)CC1 ZINC000822724725 1090643493 /nfs/dbraw/zinc/64/34/93/1090643493.db2.gz NRTBLXUILUQCQG-UHFFFAOYSA-N 1 0 304.438 2.317 50 0 DEAARO Cc1nc(C(F)(F)F)ncc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000823716282 1090696016 /nfs/dbraw/zinc/69/60/16/1090696016.db2.gz UJROVFOWPSEJBL-NSHDSACASA-N 1 0 302.344 2.187 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c1cccc2OC ZINC000095473922 185373064 /nfs/dbraw/zinc/37/30/64/185373064.db2.gz OQTDZXJYOMNMHT-CQSZACIVSA-N 1 0 315.417 2.250 50 0 DEAARO COc1ccc(CN2CCN(c3cc[nH+]c(C)c3)CC2=O)cc1 ZINC000095504776 185375361 /nfs/dbraw/zinc/37/53/61/185375361.db2.gz IWVFJWJTZAASCF-UHFFFAOYSA-N 1 0 311.385 2.247 50 0 DEAARO CSc1nccc(N2CCC([NH2+]Cc3cccnc3)CC2)n1 ZINC000095526654 185378116 /nfs/dbraw/zinc/37/81/16/185378116.db2.gz MDPXDPJHEUTXPA-UHFFFAOYSA-N 1 0 315.446 2.352 50 0 DEAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088420745 185249551 /nfs/dbraw/zinc/24/95/51/185249551.db2.gz QSZSYBSRIOCTRA-ZDUSSCGKSA-N 1 0 300.324 2.357 50 0 DEAARO CC[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000089948264 185270899 /nfs/dbraw/zinc/27/08/99/185270899.db2.gz MUJPOKXODISERW-HOCLYGCPSA-N 1 0 311.470 2.365 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2CC)n1 ZINC000089960492 185272079 /nfs/dbraw/zinc/27/20/79/185272079.db2.gz DHGZNGYFJVVWAV-FPMFFAJLSA-N 1 0 308.426 2.320 50 0 DEAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000090189126 185286513 /nfs/dbraw/zinc/28/65/13/185286513.db2.gz LPVCFQZEQMQIPF-LBPRGKRZSA-N 1 0 315.186 2.299 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(CC)nc2C)C1 ZINC000090409917 185294861 /nfs/dbraw/zinc/29/48/61/185294861.db2.gz GQYDGXYFEXMGRJ-CMPLNLGQSA-N 1 0 310.467 2.468 50 0 DEAARO CN1CCO[C@@H]2C[N@H+](CCCSCc3ccccc3)C[C@@H]21 ZINC000090552803 185302832 /nfs/dbraw/zinc/30/28/32/185302832.db2.gz MYHIROVKOTYTLX-DLBZAZTESA-N 1 0 306.475 2.325 50 0 DEAARO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000092705414 185334911 /nfs/dbraw/zinc/33/49/11/185334911.db2.gz SBUBQZOAYBSLDD-MRXNPFEDSA-N 1 0 303.406 2.136 50 0 DEAARO COC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000095415518 185358781 /nfs/dbraw/zinc/35/87/81/185358781.db2.gz SWOHSNVJCBGZOS-AWEZNQCLSA-N 1 0 303.337 2.304 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOC[C@H]1C ZINC000095422353 185361001 /nfs/dbraw/zinc/36/10/01/185361001.db2.gz RQWVXQOUPHLFNW-PWQATKAXSA-N 1 0 324.490 2.184 50 0 DEAARO CCc1nn(C)c(CC)c1C[NH2+]CCc1cn2c(n1)CCCC2 ZINC000095439957 185365988 /nfs/dbraw/zinc/36/59/88/185365988.db2.gz SUTVWHRHLRVTIL-UHFFFAOYSA-N 1 0 315.465 2.410 50 0 DEAARO CN1CCC[C@@H]([NH+]2CCC(OCc3ccccc3)CC2)C1=O ZINC000095466126 185371871 /nfs/dbraw/zinc/37/18/71/185371871.db2.gz AUKNVMRCAHGRPV-QGZVFWFLSA-N 1 0 302.418 2.288 50 0 DEAARO CSC[C@](C)(O)C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000097017028 185397614 /nfs/dbraw/zinc/39/76/14/185397614.db2.gz OIDKATXVOUGXFU-IAQYHMDHSA-N 1 0 314.426 2.246 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000084631090 539397406 /nfs/dbraw/zinc/39/74/06/539397406.db2.gz BGJJKHUNBJXYKA-OBJOEFQTSA-N 1 0 319.409 2.355 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 ZINC000084714888 539397950 /nfs/dbraw/zinc/39/79/50/539397950.db2.gz PQCJAFHPGVNZHI-DYVFJYSZSA-N 1 0 302.418 2.432 50 0 DEAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000299791472 530022878 /nfs/dbraw/zinc/02/28/78/530022878.db2.gz FYEZQDFGGBGICF-JTQLQIEISA-N 1 0 306.797 2.174 50 0 DEAARO C[C@@H]1Cc2ccccc2N(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954541 539418604 /nfs/dbraw/zinc/41/86/04/539418604.db2.gz REFVUCAQNRPHIP-LLVKDONJSA-N 1 0 301.415 2.483 50 0 DEAARO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000090770272 539418679 /nfs/dbraw/zinc/41/86/79/539418679.db2.gz NDCXAYIESODPFQ-NEPJUHHUSA-N 1 0 317.476 2.051 50 0 DEAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000091373355 539419442 /nfs/dbraw/zinc/41/94/42/539419442.db2.gz VMQKPHYAQBSKET-CHWSQXEVSA-N 1 0 310.825 2.108 50 0 DEAARO Cc1ccccc1-c1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000067973797 190741173 /nfs/dbraw/zinc/74/11/73/190741173.db2.gz KGGJTOPDOWBGOH-KRWDZBQOSA-N 1 0 310.397 2.462 50 0 DEAARO OCCC[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072146716 191053478 /nfs/dbraw/zinc/05/34/78/191053478.db2.gz INRNMBALVDXQRZ-BMGDILEWSA-N 1 0 322.399 2.209 50 0 DEAARO Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000072287167 191106421 /nfs/dbraw/zinc/10/64/21/191106421.db2.gz OOBGSUUFOYGRKF-RDJZCZTQSA-N 1 0 301.434 2.492 50 0 DEAARO COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000072290855 191108072 /nfs/dbraw/zinc/10/80/72/191108072.db2.gz GSHSNTLKQWCKCA-NVXWUHKLSA-N 1 0 319.449 2.028 50 0 DEAARO COC(=O)CCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000072287163 191106849 /nfs/dbraw/zinc/10/68/49/191106849.db2.gz QBEFXLBJFVRILK-UHFFFAOYSA-N 1 0 310.438 2.101 50 0 DEAARO C[N@@H+]1CC[C@@H](Nc2ncnc3nc(N)ccc32)[C@@H]1c1ccccc1 ZINC000225599886 186282188 /nfs/dbraw/zinc/28/21/88/186282188.db2.gz XFJCETSBULCNRO-ZBFHGGJFSA-N 1 0 320.400 2.464 50 0 DEAARO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000072328589 191122729 /nfs/dbraw/zinc/12/27/29/191122729.db2.gz ZTGDCVGKBYAETK-AWEZNQCLSA-N 1 0 307.825 2.049 50 0 DEAARO CCCc1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 ZINC000299753969 539859871 /nfs/dbraw/zinc/85/98/71/539859871.db2.gz BMGNPZLGKZAJCL-SLEUVZQESA-N 1 0 319.409 2.184 50 0 DEAARO O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000072512990 191185153 /nfs/dbraw/zinc/18/51/53/191185153.db2.gz BUMRRMIAOMRKPZ-JTQLQIEISA-N 1 0 304.724 2.310 50 0 DEAARO C[C@H]([NH2+]Cc1cccs1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003285319 181000206 /nfs/dbraw/zinc/00/02/06/181000206.db2.gz PCLCLVIGKQGMTD-NSHDSACASA-N 1 0 318.398 2.271 50 0 DEAARO O=C(NC1CC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256273 354680607 /nfs/dbraw/zinc/68/06/07/354680607.db2.gz LSUUDHQFEKYBDJ-KRWDZBQOSA-N 1 0 322.412 2.125 50 0 DEAARO CCc1n[nH]cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000067267703 354753862 /nfs/dbraw/zinc/75/38/62/354753862.db2.gz GVCMFJSOPDWFNE-INIZCTEOSA-N 1 0 300.406 2.313 50 0 DEAARO O=C(COc1ccc(Cl)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073842733 354986854 /nfs/dbraw/zinc/98/68/54/354986854.db2.gz ABSWGEIBKGMTLR-LBPRGKRZSA-N 1 0 308.809 2.319 50 0 DEAARO c1nnc2n1C[C@H](C[NH2+]Cc1ccccc1OCC1CC1)CC2 ZINC000075605501 355096029 /nfs/dbraw/zinc/09/60/29/355096029.db2.gz FELWLVBOFDOQRD-HNNXBMFYSA-N 1 0 312.417 2.419 50 0 DEAARO CN(c1nccn2cnnc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775098 191359141 /nfs/dbraw/zinc/35/91/41/191359141.db2.gz RMGJWOQPOUWNPO-MRXNPFEDSA-N 1 0 322.416 2.225 50 0 DEAARO Cc1ncsc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000093455022 355682351 /nfs/dbraw/zinc/68/23/51/355682351.db2.gz ALDBGILINPPZCW-CQSZACIVSA-N 1 0 306.435 2.131 50 0 DEAARO CC1(C)C[C@H]([NH2+]CCn2cnc3ccsc3c2=O)C(C)(C)O1 ZINC000119894785 355788590 /nfs/dbraw/zinc/78/85/90/355788590.db2.gz YCGYLFDDYSWESY-LBPRGKRZSA-N 1 0 321.446 2.394 50 0 DEAARO CC(C)Cc1ncc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000130425863 355842284 /nfs/dbraw/zinc/84/22/84/355842284.db2.gz LLLBVGDGTCXYDT-ZDUSSCGKSA-N 1 0 324.494 2.435 50 0 DEAARO [NH3+]C1CCC(NC(=O)c2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000131911652 355849363 /nfs/dbraw/zinc/84/93/63/355849363.db2.gz GRWKTXWIHCKZTH-NRXISQOPSA-N 1 0 318.417 2.244 50 0 DEAARO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccoc1 ZINC000151131317 355925466 /nfs/dbraw/zinc/92/54/66/355925466.db2.gz YHHSFPLDZAINDF-UHFFFAOYSA-N 1 0 314.341 2.441 50 0 DEAARO O=C(c1ccc(Cl)cc1)N1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169788984 355983741 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O=C(NCc1c(F)cccc1F)[C@H]1[NH2+]CCc2ccccc21 ZINC000195543136 356256157 /nfs/dbraw/zinc/25/61/57/356256157.db2.gz CLHRFIJIVOBAAB-INIZCTEOSA-N 1 0 302.324 2.468 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000195543078 356256222 /nfs/dbraw/zinc/25/62/22/356256222.db2.gz LHOWUGVULVBEJA-RTBURBONSA-N 1 0 324.424 2.465 50 0 DEAARO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000195554637 356257000 /nfs/dbraw/zinc/25/70/00/356257000.db2.gz BXOVQEQOKPUOIQ-OLZOCXBDSA-N 1 0 311.813 2.232 50 0 DEAARO Cc1ccccc1COC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000195555012 356257128 /nfs/dbraw/zinc/25/71/28/356257128.db2.gz YXPOWUUYRREJTO-KRWDZBQOSA-N 1 0 304.434 2.486 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)C1 ZINC000195570427 356257803 /nfs/dbraw/zinc/25/78/03/356257803.db2.gz UNQDWFNBKNETHY-CVEARBPZSA-N 1 0 315.461 2.385 50 0 DEAARO C[NH+](C)[C@]1(C(=O)N2CCc3cnccc32)CCc2ccccc21 ZINC000195567851 356258297 /nfs/dbraw/zinc/25/82/97/356258297.db2.gz 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NC(=O)NC(=O)CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000058329629 283303010 /nfs/dbraw/zinc/30/30/10/283303010.db2.gz IYOSIIMXCAIHJK-UHFFFAOYSA-N 1 0 309.369 2.254 50 0 DEAARO CC[C@]1(C)CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCO1 ZINC000188200126 200208367 /nfs/dbraw/zinc/20/83/67/200208367.db2.gz FTECSKUKYKYTOX-NVXWUHKLSA-N 1 0 311.470 2.175 50 0 DEAARO O[C@H]1CN(Cc2sccc2Cl)C[C@@H]1[NH+]1CCCCC1 ZINC000670445170 540934576 /nfs/dbraw/zinc/93/45/76/540934576.db2.gz GADAKHGFDAXKSN-STQMWFEESA-N 1 0 300.855 2.433 50 0 DEAARO Cc1cc(N(C)CCn2ccnc2)nc(N2CCCCC2)[nH+]1 ZINC000670452456 540935745 /nfs/dbraw/zinc/93/57/45/540935745.db2.gz VBAFCMFSHDRWJR-UHFFFAOYSA-N 1 0 300.410 2.108 50 0 DEAARO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)c(Cl)c1)[NH+]1CCCC1 ZINC000670457614 540936190 /nfs/dbraw/zinc/93/61/90/540936190.db2.gz DOXBANFIIQKXGH-ZDUSSCGKSA-N 1 0 311.813 2.291 50 0 DEAARO CC1CCC(O)(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000089925482 192908826 /nfs/dbraw/zinc/90/88/26/192908826.db2.gz QACTWYXRFZGBOI-BFHRDPOASA-N 1 0 321.465 2.107 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc(C(=O)OC)c1 ZINC000006552528 181353545 /nfs/dbraw/zinc/35/35/45/181353545.db2.gz OXFUKHSHXROZHB-CVEARBPZSA-N 1 0 321.417 2.477 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1Cl ZINC000006558596 181355295 /nfs/dbraw/zinc/35/52/95/181355295.db2.gz ABKYQQJWEXSYAL-LLVKDONJSA-N 1 0 302.827 2.103 50 0 DEAARO CCc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)[nH]n1 ZINC000091321559 193040066 /nfs/dbraw/zinc/04/00/66/193040066.db2.gz PQNGMWNJOISYPM-GDBMZVCRSA-N 1 0 316.449 2.309 50 0 DEAARO COC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000091435189 193055384 /nfs/dbraw/zinc/05/53/84/193055384.db2.gz XUUWVMVUHOMKSC-LSDHHAIUSA-N 1 0 304.390 2.358 50 0 DEAARO CC[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091493056 193064711 /nfs/dbraw/zinc/06/47/11/193064711.db2.gz YHTRDZWOYOZHAI-UHFFFAOYSA-N 1 0 300.410 2.057 50 0 DEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1CO ZINC000091665171 193088476 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Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000012788035 181797659 /nfs/dbraw/zinc/79/76/59/181797659.db2.gz FCLNRLQEXSOLII-UHFFFAOYSA-N 1 0 308.447 2.209 50 0 DEAARO Fc1cccc(-n2cc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cn2)c1 ZINC000097324014 193708272 /nfs/dbraw/zinc/70/82/72/193708272.db2.gz NAIOLQAKOISFMU-CVEARBPZSA-N 1 0 300.381 2.338 50 0 DEAARO O=c1cc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)nc2sccn21 ZINC000015456772 182003499 /nfs/dbraw/zinc/00/34/99/182003499.db2.gz LGEQWOAUPKEQHP-PHIMTYICSA-N 1 0 320.443 2.260 50 0 DEAARO CCc1nn2c(nc(C[N@H+](C)Cc3ccccc3)cc2=O)s1 ZINC000015731837 182014468 /nfs/dbraw/zinc/01/44/68/182014468.db2.gz ZCBPKFVXLSFJDM-UHFFFAOYSA-N 1 0 314.414 2.345 50 0 DEAARO COC(=O)c1ccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016247782 182038651 /nfs/dbraw/zinc/03/86/51/182038651.db2.gz HFVCAINVKHYNOM-OKILXGFUSA-N 1 0 307.390 2.351 50 0 DEAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 ZINC000016605134 182053232 /nfs/dbraw/zinc/05/32/32/182053232.db2.gz XHIKLLJALQWMND-LLVKDONJSA-N 1 0 312.360 2.333 50 0 DEAARO O[C@H](COC1CCCC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000016650747 182055948 /nfs/dbraw/zinc/05/59/48/182055948.db2.gz UCEVDOFIAHJPKX-KRWDZBQOSA-N 1 0 304.434 2.129 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc(OC)c1OC ZINC000019771285 182145483 /nfs/dbraw/zinc/14/54/83/182145483.db2.gz IPTLTOIJTRUJMR-DZGCQCFKSA-N 1 0 320.433 2.381 50 0 DEAARO COc1cc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1 ZINC000019841482 182155707 /nfs/dbraw/zinc/15/57/07/182155707.db2.gz UZGUNDTXQXDRMA-CHWSQXEVSA-N 1 0 322.405 2.142 50 0 DEAARO Clc1ccc(OCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020272453 182202810 /nfs/dbraw/zinc/20/28/10/182202810.db2.gz ALQIBCNKHSIUDD-UHFFFAOYSA-N 1 0 319.630 2.387 50 0 DEAARO CCCCOc1cccc(OCC[NH2+]CCN2CCOCC2)c1 ZINC000020482216 182222218 /nfs/dbraw/zinc/22/22/18/182222218.db2.gz KNNUMQMJYRRIOA-UHFFFAOYSA-N 1 0 322.449 2.166 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC3CC3)C[C@@H]2CCO)cc1C ZINC000020449452 182218684 /nfs/dbraw/zinc/21/86/84/182218684.db2.gz MVKDYMTZSCHEHY-SFHVURJKSA-N 1 0 318.461 2.282 50 0 DEAARO c1ccc(C[NH+]2CCN(Cn3nnc4ccccc43)CC2)cc1 ZINC000020458382 182219972 /nfs/dbraw/zinc/21/99/72/182219972.db2.gz PRYWZWRTTXOYSK-UHFFFAOYSA-N 1 0 307.401 2.207 50 0 DEAARO CCCc1cn(CC2CC[NH+](Cc3cc(C)nn3C)CC2)nn1 ZINC000020536049 182228133 /nfs/dbraw/zinc/22/81/33/182228133.db2.gz INWCMKASPYMYHX-UHFFFAOYSA-N 1 0 316.453 2.185 50 0 DEAARO CCC[NH+]1CCN(CCNC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000021175179 182268583 /nfs/dbraw/zinc/26/85/83/182268583.db2.gz AYYFYPDTFNVZKQ-UHFFFAOYSA-N 1 0 322.428 2.283 50 0 DEAARO COc1ccccc1[C@@H](CNC(=S)NC1CC1)[NH+]1CCCC1 ZINC000021334353 182272361 /nfs/dbraw/zinc/27/23/61/182272361.db2.gz LPURACZTVZCGKF-OAHLLOKOSA-N 1 0 319.474 2.459 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc(OC)c1OC ZINC000022587935 182327370 /nfs/dbraw/zinc/32/73/70/182327370.db2.gz IPTLTOIJTRUJMR-ZFWWWQNUSA-N 1 0 320.433 2.381 50 0 DEAARO C[NH+]1CCN([C@H](CNC(=O)c2ccco2)c2ccsc2)CC1 ZINC000022765540 182333440 /nfs/dbraw/zinc/33/34/40/182333440.db2.gz NSKHPMDYFZUGEZ-CQSZACIVSA-N 1 0 319.430 2.060 50 0 DEAARO OCC1CC[NH+]([C@@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000022851240 182337067 /nfs/dbraw/zinc/33/70/67/182337067.db2.gz JNDNDUNUEAPIJK-LJQANCHMSA-N 1 0 302.462 2.398 50 0 DEAARO CC(C)CC[N@@H+]1CCN(Cc2cccc(O)c2)C[C@@H]1CCO ZINC000022913752 182339955 /nfs/dbraw/zinc/33/99/55/182339955.db2.gz GHYRWZYGRQDSDK-KRWDZBQOSA-N 1 0 306.450 2.307 50 0 DEAARO CCCS(=O)(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000023130495 182350132 /nfs/dbraw/zinc/35/01/32/182350132.db2.gz MFEXQPMWIKRHKJ-QGZVFWFLSA-N 1 0 324.490 2.365 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000023339630 182357406 /nfs/dbraw/zinc/35/74/06/182357406.db2.gz UBJPOCTVBOYBGY-QGZVFWFLSA-N 1 0 315.461 2.109 50 0 DEAARO CC(C)[N@@H+]1CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1CCO ZINC000023375465 182358359 /nfs/dbraw/zinc/35/83/59/182358359.db2.gz ZNSIMYIVOSIJCV-AWEZNQCLSA-N 1 0 312.841 2.323 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CCC([NH3+])CC1 ZINC000036857533 182849272 /nfs/dbraw/zinc/84/92/72/182849272.db2.gz GUXSAKTWLMVRLR-UHFFFAOYSA-N 1 0 314.227 2.395 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C(C)C)C[C@H]2CCO)c(F)c1 ZINC000039466373 183019571 /nfs/dbraw/zinc/01/95/71/183019571.db2.gz NBCKWDBQKHPBHJ-OAHLLOKOSA-N 1 0 310.413 2.111 50 0 DEAARO CCNC(=O)[C@H]1CC[N@H+](CCOC)[C@@H]1c1ccc(Cl)cc1 ZINC000040488300 183078344 /nfs/dbraw/zinc/07/83/44/183078344.db2.gz DQPBOCTZDDRXQA-LSDHHAIUSA-N 1 0 310.825 2.486 50 0 DEAARO Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(C)c1 ZINC000040539057 183096021 /nfs/dbraw/zinc/09/60/21/183096021.db2.gz IIGCSMQQCRVMCC-UHFFFAOYSA-N 1 0 316.445 2.488 50 0 DEAARO CC(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000040510877 183086627 /nfs/dbraw/zinc/08/66/27/183086627.db2.gz HYICUZIKCPQAOJ-QGZVFWFLSA-N 1 0 303.450 2.137 50 0 DEAARO CN1CC[NH+](CCCCNC(=O)c2cccc(Cl)c2)CC1 ZINC000041362533 183186314 /nfs/dbraw/zinc/18/63/14/183186314.db2.gz AFQRNLSSCNOGKA-UHFFFAOYSA-N 1 0 309.841 2.097 50 0 DEAARO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)N1CCOCC1 ZINC000042201676 183241876 /nfs/dbraw/zinc/24/18/76/183241876.db2.gz OVVMKQUKROHRPX-ZDUSSCGKSA-N 1 0 318.396 2.026 50 0 DEAARO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)c(OC)c1 ZINC000042227384 183245080 /nfs/dbraw/zinc/24/50/80/183245080.db2.gz KFEQHFAUAKGIHR-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000042296839 183250461 /nfs/dbraw/zinc/25/04/61/183250461.db2.gz HPCLLRWYNFTLIZ-UHFFFAOYSA-N 1 0 319.405 2.087 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1nncs1 ZINC000043130310 183339624 /nfs/dbraw/zinc/33/96/24/183339624.db2.gz OXGYUAJSHSVQMP-SNVBAGLBSA-N 1 0 307.379 2.090 50 0 DEAARO CCn1cc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000043645966 183377102 /nfs/dbraw/zinc/37/71/02/183377102.db2.gz VALMCPWCSMBKSS-HNNXBMFYSA-N 1 0 319.384 2.467 50 0 DEAARO O=C1CCC2(CC[NH+](Cc3ccccc3)CC2)CN1CCCO ZINC000091817699 284785501 /nfs/dbraw/zinc/78/55/01/284785501.db2.gz RUTMVGDQVKATGH-UHFFFAOYSA-N 1 0 316.445 2.274 50 0 DEAARO Cc1cccc(OCCNC(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058061687 184072819 /nfs/dbraw/zinc/07/28/19/184072819.db2.gz KGXNEEGXKYTYSG-OAHLLOKOSA-N 1 0 305.422 2.156 50 0 DEAARO CC(C)([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2 ZINC000058355869 184107837 /nfs/dbraw/zinc/10/78/37/184107837.db2.gz FFOZKZSHKUWUGD-UHFFFAOYSA-N 1 0 316.357 2.149 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000058263882 184095160 /nfs/dbraw/zinc/09/51/60/184095160.db2.gz VHGHTSCJFZVWPM-UHFFFAOYSA-N 1 0 302.378 2.274 50 0 DEAARO CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(N)=O ZINC000058293707 184101922 /nfs/dbraw/zinc/10/19/22/184101922.db2.gz OSUQXBFECCLDJE-HNNXBMFYSA-N 1 0 305.422 2.497 50 0 DEAARO Cc1noc2ncc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc12 ZINC000058393755 184112761 /nfs/dbraw/zinc/11/27/61/184112761.db2.gz DSNAQNLHXLIXIO-GFCCVEGCSA-N 1 0 316.405 2.381 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000269080744 207226980 /nfs/dbraw/zinc/22/69/80/207226980.db2.gz HUTWYHWHAIAUNI-IRXDYDNUSA-N 1 0 302.418 2.101 50 0 DEAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)cc1)CC2 ZINC000062640110 184246229 /nfs/dbraw/zinc/24/62/29/184246229.db2.gz JGRGJKNWCMBFRN-INIZCTEOSA-N 1 0 322.416 2.390 50 0 DEAARO C[N@@H+](CCC(=O)Nc1cccnc1)CC[C@H](O)c1ccccc1 ZINC000065372245 184330139 /nfs/dbraw/zinc/33/01/39/184330139.db2.gz LUQHUPQTQQGESS-KRWDZBQOSA-N 1 0 313.401 2.466 50 0 DEAARO COCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000065375649 184331252 /nfs/dbraw/zinc/33/12/52/184331252.db2.gz PQPFMUHETPWEEU-INIZCTEOSA-N 1 0 302.418 2.194 50 0 DEAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)[C@@H](C)C(N)=O)cc1 ZINC000065431453 184344303 /nfs/dbraw/zinc/34/43/03/184344303.db2.gz UVJLHPJDOODRTL-AWEZNQCLSA-N 1 0 319.449 2.254 50 0 DEAARO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)c1 ZINC000065449111 184346130 /nfs/dbraw/zinc/34/61/30/184346130.db2.gz BCYMJGFZXNAGIY-INIZCTEOSA-N 1 0 324.428 2.423 50 0 DEAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C[C@H]1O ZINC000065455099 184347481 /nfs/dbraw/zinc/34/74/81/184347481.db2.gz SKWITQGAYQZHFF-HUUCEWRRSA-N 1 0 307.415 2.492 50 0 DEAARO Cc1nccn1C[C@@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000065468757 184350875 /nfs/dbraw/zinc/35/08/75/184350875.db2.gz KAKTWVMWOMGOSF-OAHLLOKOSA-N 1 0 313.449 2.229 50 0 DEAARO O=C1NCCCc2nc(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c21 ZINC000065398534 184336273 /nfs/dbraw/zinc/33/62/73/184336273.db2.gz FCZRUWKZEGVAIV-HNNXBMFYSA-N 1 0 324.428 2.150 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000269200099 207319182 /nfs/dbraw/zinc/31/91/82/207319182.db2.gz XRFBHYLZLBWDKR-LJLILKBBSA-N 1 0 309.207 2.412 50 0 DEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C2CCC2)C1 ZINC000065585626 184368933 /nfs/dbraw/zinc/36/89/33/184368933.db2.gz AYNGMIREKARFGT-OAHLLOKOSA-N 1 0 315.417 2.123 50 0 DEAARO Cc1ccc([C@H](C[NH2+]Cc2c(C)n[nH]c2C)N2CCOCC2)o1 ZINC000065512394 184357567 /nfs/dbraw/zinc/35/75/67/184357567.db2.gz VEZOWKWABHZBNR-INIZCTEOSA-N 1 0 318.421 2.091 50 0 DEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000065610476 184372986 /nfs/dbraw/zinc/37/29/86/184372986.db2.gz RXEGXUDJHCMGIV-MSOLQXFVSA-N 1 0 314.429 2.158 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000120112627 195099733 /nfs/dbraw/zinc/09/97/33/195099733.db2.gz VEGNLHATDDJTOW-ZIAGYGMSSA-N 1 0 321.446 2.242 50 0 DEAARO COc1ccc([C@@H]([NH2+]CCOCCNC(C)=O)C(C)C)cc1 ZINC000408524293 533131655 /nfs/dbraw/zinc/13/16/55/533131655.db2.gz SACHAYOIWZEYQK-KRWDZBQOSA-N 1 0 308.422 2.135 50 0 DEAARO C[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)[C@@H]1C[NH3+] ZINC000156862039 197145748 /nfs/dbraw/zinc/14/57/48/197145748.db2.gz QOJXPUAWVHPMJB-WCQYABFASA-N 1 0 316.430 2.405 50 0 DEAARO CCCc1nc(C)cc(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000106248835 257273030 /nfs/dbraw/zinc/27/30/30/257273030.db2.gz WNNDRBDOTOKAKU-INIZCTEOSA-N 1 0 318.465 2.021 50 0 DEAARO COC1CCN(c2nc(C)nc(C)c2Br)CC1 ZINC000323116516 257236645 /nfs/dbraw/zinc/23/66/45/257236645.db2.gz QXUNEMIWPSHEMQ-UHFFFAOYSA-N 1 0 300.200 2.471 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237520088 257238466 /nfs/dbraw/zinc/23/84/66/257238466.db2.gz FUVGGPUSVHNIFO-LRDDRELGSA-N 1 0 311.385 2.198 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237595114 257238681 /nfs/dbraw/zinc/23/86/81/257238681.db2.gz VKVIJCKVHYZXQT-CMPLNLGQSA-N 1 0 316.323 2.422 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CC[C@H]([NH3+])C[C@@H]3C)nc21 ZINC000237491472 257238726 /nfs/dbraw/zinc/23/87/26/257238726.db2.gz NRDOFHQVTMYKKP-STQMWFEESA-N 1 0 300.406 2.142 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CC[C@H]([NH3+])C[C@H]3C)nc21 ZINC000237473062 257239293 /nfs/dbraw/zinc/23/92/93/257239293.db2.gz NRDOFHQVTMYKKP-OLZOCXBDSA-N 1 0 300.406 2.142 50 0 DEAARO Clc1cc(C[NH2+]CCNc2ncccn2)cc2c1OCCO2 ZINC000071825407 184856215 /nfs/dbraw/zinc/85/62/15/184856215.db2.gz PARHFFPQIDQGOQ-UHFFFAOYSA-N 1 0 320.780 2.103 50 0 DEAARO COc1cc(F)c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000121808706 195351659 /nfs/dbraw/zinc/35/16/59/195351659.db2.gz SKXFIQJNFIJILN-ZWNOBZJWSA-N 1 0 310.369 2.185 50 0 DEAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccnc2OC)C1 ZINC000193326286 145084715 /nfs/dbraw/zinc/08/47/15/145084715.db2.gz JQVXRBWPFPOJRZ-CYBMUJFWSA-N 1 0 301.394 2.081 50 0 DEAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[NH+](C)C ZINC000002921341 401720212 /nfs/dbraw/zinc/72/02/12/401720212.db2.gz TVGHURZWOAYNKV-VIFPVBQESA-N 1 0 305.205 2.439 50 0 DEAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003042919 401720825 /nfs/dbraw/zinc/72/08/25/401720825.db2.gz GEZFTAUTFBENOD-UHFFFAOYSA-N 1 0 321.446 2.193 50 0 DEAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC(=O)N1C(C)C ZINC000003049013 401721369 /nfs/dbraw/zinc/72/13/69/401721369.db2.gz VTNKLRHGSJFJRT-OAHLLOKOSA-N 1 0 311.470 2.014 50 0 DEAARO COc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003214795 401722512 /nfs/dbraw/zinc/72/25/12/401722512.db2.gz VSODIIZFGZLSEC-KRWDZBQOSA-N 1 0 313.397 2.493 50 0 DEAARO [NH3+]CCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC000003261588 401723689 /nfs/dbraw/zinc/72/36/89/401723689.db2.gz HOCCGSMGONITOP-YFHOEESVSA-N 1 0 314.313 2.283 50 0 DEAARO CNC(=S)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000004073837 401725620 /nfs/dbraw/zinc/72/56/20/401725620.db2.gz AVNJZKYCMSPOEY-QKPAOTATSA-N 1 0 305.491 2.386 50 0 biogenic DEAARO Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1 ZINC000000098613 401687963 /nfs/dbraw/zinc/68/79/63/401687963.db2.gz NLYLYMLINBLGKE-QGZVFWFLSA-N 1 0 311.405 2.352 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC000071864368 401688775 /nfs/dbraw/zinc/68/87/75/401688775.db2.gz FXGBWBNRDVKSNR-HUUCEWRRSA-N 1 0 315.417 2.229 50 0 DEAARO Cc1ncc(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)s1 ZINC000071860053 401688826 /nfs/dbraw/zinc/68/88/26/401688826.db2.gz ZMRFLGPSHPEAIC-ZDUSSCGKSA-N 1 0 303.435 2.342 50 0 DEAARO C[C@H](CNC(=O)c1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000071867442 401689020 /nfs/dbraw/zinc/68/90/20/401689020.db2.gz FYYWBYQHFXUILR-OAHLLOKOSA-N 1 0 311.429 2.206 50 0 DEAARO Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)n1 ZINC000071865584 401689280 /nfs/dbraw/zinc/68/92/80/401689280.db2.gz JSLCFMUQTYZEEO-MRXNPFEDSA-N 1 0 306.454 2.221 50 0 DEAARO O[C@H](C[N@@H+]1CCCC[C@@H]1Cn1cncn1)c1cccc(F)c1 ZINC000071876384 401691087 /nfs/dbraw/zinc/69/10/87/401691087.db2.gz DOKLGYYDYBRYGY-HZPDHXFCSA-N 1 0 304.369 2.005 50 0 DEAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC000071896659 401693905 /nfs/dbraw/zinc/69/39/05/401693905.db2.gz DIYBCTUHFJOCLO-CQSZACIVSA-N 1 0 319.449 2.016 50 0 DEAARO C[N@H+](CCc1ccccc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000071897211 401694237 /nfs/dbraw/zinc/69/42/37/401694237.db2.gz DNMKWJFHDNMOIS-ZDUSSCGKSA-N 1 0 318.314 2.463 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000072253097 401704057 /nfs/dbraw/zinc/70/40/57/401704057.db2.gz BQUYAAUHVWSOPG-UHFFFAOYSA-N 1 0 324.428 2.097 50 0 DEAARO Cc1cnn(CC[NH2+]CC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000072253141 401704408 /nfs/dbraw/zinc/70/44/08/401704408.db2.gz IKFYAAOHWOFHGM-OAHLLOKOSA-N 1 0 318.446 2.206 50 0 DEAARO CCOC(=O)c1csc(N2[NH2+]C(C)=C[C@@]2(O)C(F)(F)F)n1 ZINC000001415774 401707175 /nfs/dbraw/zinc/70/71/75/401707175.db2.gz ZKWMSPCAXAMMME-SNVBAGLBSA-N 1 0 323.296 2.157 50 0 DEAARO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2C[NH2+]CCO2)n1 ZINC000072343421 401709409 /nfs/dbraw/zinc/70/94/09/401709409.db2.gz QEZPEFNCEJAPKX-AWEZNQCLSA-N 1 0 302.353 2.010 50 0 DEAARO CCN1C[C@]2(CCC[N@H+](CCCn3ccnc3C)C2)CCC1=O ZINC000072408714 401710210 /nfs/dbraw/zinc/71/02/10/401710210.db2.gz QWRWAEPNKQEJND-GOSISDBHSA-N 1 0 318.465 2.306 50 0 DEAARO CCC(CC)(CCO)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000072932577 401714576 /nfs/dbraw/zinc/71/45/76/401714576.db2.gz MOYTWBHNBHWUIS-OAHLLOKOSA-N 1 0 313.486 2.349 50 0 DEAARO COc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1OC ZINC000013775576 401804583 /nfs/dbraw/zinc/80/45/83/401804583.db2.gz XNFALLVGMAUJBK-UHFFFAOYSA-N 1 0 309.435 2.084 50 0 DEAARO O=C1c2cccn2C[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 ZINC000008861939 401757659 /nfs/dbraw/zinc/75/76/59/401757659.db2.gz PYXCABGPCXIUPQ-MJGOQNOKSA-N 1 0 319.384 2.370 50 0 DEAARO Cc1cc(C)cc(OCc2noc(CN(CCO)C3CC3)n2)c1 ZINC000128040890 401760165 /nfs/dbraw/zinc/76/01/65/401760165.db2.gz FPCKSBKBVJJYFZ-UHFFFAOYSA-N 1 0 317.389 2.222 50 0 DEAARO COCC(=O)N1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000075611422 401764305 /nfs/dbraw/zinc/76/43/05/401764305.db2.gz OJRJMNIVIAKRBR-UHFFFAOYSA-N 1 0 317.364 2.423 50 0 DEAARO O=C(CC[N@@H+]1CCSC[C@H]1c1ccccc1)N1CCOCC1 ZINC000075613212 401764753 /nfs/dbraw/zinc/76/47/53/401764753.db2.gz DSWFATHUODZGNH-INIZCTEOSA-N 1 0 320.458 2.025 50 0 DEAARO Cc1ccc(C)c([C@@H](O)C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000075684722 401766865 /nfs/dbraw/zinc/76/68/65/401766865.db2.gz GMYUUFMOPRFTAQ-KRWDZBQOSA-N 1 0 305.418 2.422 50 0 DEAARO CCOC(=O)c1sc2nc(C)nc(NCC[NH+](C)C)c2c1C ZINC000009951115 401767443 /nfs/dbraw/zinc/76/74/43/401767443.db2.gz GWEIOIJGFXGALA-UHFFFAOYSA-N 1 0 322.434 2.458 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010339847 401769665 /nfs/dbraw/zinc/76/96/65/401769665.db2.gz YDPJAVDMBNCHMQ-AWEZNQCLSA-N 1 0 303.406 2.448 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000010544096 401771021 /nfs/dbraw/zinc/77/10/21/401771021.db2.gz BQZOCICZIMYZGT-IYBDPMFKSA-N 1 0 324.490 2.474 50 0 DEAARO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc2c(c1)OCCO2 ZINC000011231542 401773519 /nfs/dbraw/zinc/77/35/19/401773519.db2.gz WFOKWQPGIKHFDZ-UHFFFAOYSA-N 1 0 312.369 2.189 50 0 DEAARO COCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000011712015 401776345 /nfs/dbraw/zinc/77/63/45/401776345.db2.gz YJUHSTNNCQOVHN-UHFFFAOYSA-N 1 0 304.434 2.046 50 0 DEAARO C[NH+](C)CC[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCO1 ZINC000011813863 401776930 /nfs/dbraw/zinc/77/69/30/401776930.db2.gz LSHSTGGGVXOBKB-CQSZACIVSA-N 1 0 319.380 2.100 50 0 DEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1=O ZINC000011844569 401777010 /nfs/dbraw/zinc/77/70/10/401777010.db2.gz VSFXAOOLMHHALP-LJQANCHMSA-N 1 0 316.445 2.456 50 0 DEAARO CSC[C@@H](C)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000076018048 401777363 /nfs/dbraw/zinc/77/73/63/401777363.db2.gz VGNBGKSBYBBVQO-ZYHUDNBSSA-N 1 0 301.481 2.402 50 0 DEAARO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3cn(C)nc3C)CC[C@@H]21 ZINC000012132775 401779878 /nfs/dbraw/zinc/77/98/78/401779878.db2.gz JHVRVEMZTTUURS-WBVHZDCISA-N 1 0 318.465 2.342 50 0 DEAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2cccnc2)C1 ZINC000076067768 401780609 /nfs/dbraw/zinc/78/06/09/401780609.db2.gz CIETUICBKGCLBI-GJZGRUSLSA-N 1 0 307.463 2.304 50 0 DEAARO CO[C@@]1(C)C[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000076091569 401782370 /nfs/dbraw/zinc/78/23/70/401782370.db2.gz LUFHQUSRAHOQJD-YOEHRIQHSA-N 1 0 309.454 2.116 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000012531757 401787142 /nfs/dbraw/zinc/78/71/42/401787142.db2.gz HEAHKKGIIAKUTB-JKSUJKDBSA-N 1 0 321.417 2.010 50 0 DEAARO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000013111056 401796265 /nfs/dbraw/zinc/79/62/65/401796265.db2.gz LUBIYHKZWFTPAV-BETUJISGSA-N 1 0 322.405 2.142 50 0 DEAARO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000013099103 401796338 /nfs/dbraw/zinc/79/63/38/401796338.db2.gz DCEWLIMBAGLBFQ-GDBMZVCRSA-N 1 0 323.433 2.313 50 0 DEAARO C[N@H+](CCNC(=O)[C@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015786137 401818076 /nfs/dbraw/zinc/81/80/76/401818076.db2.gz IJJNHQPEKMFIFL-GOSISDBHSA-N 1 0 324.424 2.486 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000023197573 401827769 /nfs/dbraw/zinc/82/77/69/401827769.db2.gz ILSYQCHLMBQCEM-KRWDZBQOSA-N 1 0 314.433 2.103 50 0 DEAARO Nc1nc(Cl)cc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000024056214 401829390 /nfs/dbraw/zinc/82/93/90/401829390.db2.gz KQENSBYUFPYCJH-UHFFFAOYSA-N 1 0 303.797 2.034 50 0 DEAARO COc1ncccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025332372 401833018 /nfs/dbraw/zinc/83/30/18/401833018.db2.gz 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301.434 2.283 50 0 DEAARO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648173 401916236 /nfs/dbraw/zinc/91/62/36/401916236.db2.gz FGWYHAQSQBKUGO-LBPRGKRZSA-N 1 0 304.360 2.011 50 0 DEAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)c2ccccc2)[nH+]1 ZINC000085472122 401917034 /nfs/dbraw/zinc/91/70/34/401917034.db2.gz CWDMHQSAWMWDGD-UHFFFAOYSA-N 1 0 321.384 2.418 50 0 DEAARO CC[NH+]1CCN(c2ccc(-c3nc(C(C)C)no3)cn2)CC1 ZINC000039500666 401924199 /nfs/dbraw/zinc/92/41/99/401924199.db2.gz JSOQYSBWHRKNPU-UHFFFAOYSA-N 1 0 301.394 2.397 50 0 DEAARO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000089755746 401961225 /nfs/dbraw/zinc/96/12/25/401961225.db2.gz IDXCVPUGXZAXEY-AWEZNQCLSA-N 1 0 301.390 2.427 50 0 DEAARO CC(=O)N1CC[N@H+](Cc2c(C)sc3ccccc32)C[C@@H](O)C1 ZINC000091792777 401998039 /nfs/dbraw/zinc/99/80/39/401998039.db2.gz DASBJADGIMKCAL-CQSZACIVSA-N 1 0 318.442 2.235 50 0 DEAARO O=C1[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)CCN1c1ccccc1 ZINC000089845607 401967787 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CCNC(=O)[C@H]1CC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000097742786 402131751 /nfs/dbraw/zinc/13/17/51/402131751.db2.gz SOFWPOYOXGZTBW-ZDUSSCGKSA-N 1 0 301.365 2.332 50 0 DEAARO C[C@H]1CN(C(=O)CCCOc2ccc(F)cc2F)C[C@H](C)[NH2+]1 ZINC000153234541 402134629 /nfs/dbraw/zinc/13/46/29/402134629.db2.gz RWVRLAVEVKBWAF-RYUDHWBXSA-N 1 0 312.360 2.333 50 0 DEAARO COc1ccccc1C[C@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153251088 402135598 /nfs/dbraw/zinc/13/55/98/402135598.db2.gz DPSSECGOGNIJLU-RRFJBIMHSA-N 1 0 304.434 2.473 50 0 DEAARO Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000097378408 402123603 /nfs/dbraw/zinc/12/36/03/402123603.db2.gz MKLGUBGRCYAVFL-LLVKDONJSA-N 1 0 308.378 2.306 50 0 DEAARO CCc1nc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cs1 ZINC000066943885 402147486 /nfs/dbraw/zinc/14/74/86/402147486.db2.gz GLEGATIRLLXZQN-CQSZACIVSA-N 1 0 307.463 2.335 50 0 DEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1nnc[nH]1 ZINC000067955000 402180596 /nfs/dbraw/zinc/18/05/96/402180596.db2.gz PMGHKIOSXRSIBZ-HNNXBMFYSA-N 1 0 313.405 2.152 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000124912028 402203405 /nfs/dbraw/zinc/20/34/05/402203405.db2.gz CHIDLZIHEPBLRZ-DDTOSNHZSA-N 1 0 323.234 2.373 50 0 DEAARO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)cc1O ZINC000067490480 402161468 /nfs/dbraw/zinc/16/14/68/402161468.db2.gz CFNYIKUQRYFWOB-AWEZNQCLSA-N 1 0 320.433 2.385 50 0 DEAARO CCNc1cc(N2CCN(C(=O)C(CC)CC)CC2)nc(C)[nH+]1 ZINC000067613965 402165342 /nfs/dbraw/zinc/16/53/42/402165342.db2.gz CHOAFZOLYNAJDQ-UHFFFAOYSA-N 1 0 319.453 2.302 50 0 DEAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000067695438 402168033 /nfs/dbraw/zinc/16/80/33/402168033.db2.gz SXWUCWLHANHMLL-SSUFTNFISA-N 1 0 324.446 2.087 50 0 DEAARO C[NH+]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067770368 402172635 /nfs/dbraw/zinc/17/26/35/402172635.db2.gz KXULVRYGBLIQFK-UHFFFAOYSA-N 1 0 307.401 2.144 50 0 DEAARO CCNc1nc(C)c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)s1 ZINC000067817456 402173643 /nfs/dbraw/zinc/17/36/43/402173643.db2.gz CDYCNDTUKWOCLC-NWDGAFQWSA-N 1 0 308.451 2.192 50 0 DEAARO COc1cc(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)nc(OC)n1 ZINC000067847824 402174802 /nfs/dbraw/zinc/17/48/02/402174802.db2.gz TXLOFTYBCWMZDX-JTQLQIEISA-N 1 0 321.764 2.076 50 0 DEAARO Cc1nnc2ccc(NC[C@@H](c3cccs3)[NH+](C)C)nn12 ZINC000069153665 402214921 /nfs/dbraw/zinc/21/49/21/402214921.db2.gz SXZFNLWKPUPAGV-NSHDSACASA-N 1 0 302.407 2.209 50 0 DEAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)n1cccn1 ZINC000069351270 402219347 /nfs/dbraw/zinc/21/93/47/402219347.db2.gz CWOBJPSMQZWYMV-STQMWFEESA-N 1 0 314.368 2.342 50 0 DEAARO [NH2+]=C(NCc1ccccc1)NCc1cccc(N2CCOC2=O)c1 ZINC000069350390 402219425 /nfs/dbraw/zinc/21/94/25/402219425.db2.gz HQCUGBWAAGYAGV-UHFFFAOYSA-N 1 0 324.384 2.457 50 0 DEAARO CC[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CC[N@@H+]1C[C@H](C)O ZINC000106906824 402222068 /nfs/dbraw/zinc/22/20/68/402222068.db2.gz HMLHAQFNJFKBLS-KBPBESRZSA-N 1 0 309.454 2.249 50 0 DEAARO CCCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000070738574 402264144 /nfs/dbraw/zinc/26/41/44/402264144.db2.gz YWDMZFAKVDQDNO-CYBMUJFWSA-N 1 0 308.422 2.440 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)COCc2ccccc2Cl)CC1 ZINC000069570670 402231776 /nfs/dbraw/zinc/23/17/76/402231776.db2.gz BTFAFTUYLJHOMR-UHFFFAOYSA-N 1 0 310.825 2.411 50 0 DEAARO Cc1nccn1CCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069588152 402233188 /nfs/dbraw/zinc/23/31/88/402233188.db2.gz STKVVYVDLBERSM-HOTGVXAUSA-N 1 0 304.438 2.057 50 0 DEAARO CCc1nc(CCNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cs1 ZINC000069619968 402234420 /nfs/dbraw/zinc/23/44/20/402234420.db2.gz FIZCMKSYMYFJDI-GFCCVEGCSA-N 1 0 310.467 2.032 50 0 DEAARO Cn1ccnc1CN1CC[NH+](CCCOc2ccccc2)CC1 ZINC000069653142 402236323 /nfs/dbraw/zinc/23/63/23/402236323.db2.gz OJCCJJRRYXHSRF-UHFFFAOYSA-N 1 0 314.433 2.007 50 0 DEAARO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1OC(F)F ZINC000069652798 402236728 /nfs/dbraw/zinc/23/67/28/402236728.db2.gz RJEPGFIEPNTTAE-SECBINFHSA-N 1 0 300.305 2.187 50 0 DEAARO C[C@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000069655796 402237356 /nfs/dbraw/zinc/23/73/56/402237356.db2.gz ZFQGGUGRMMMYTQ-DOTOQJQBSA-N 1 0 324.513 2.233 50 0 DEAARO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069662791 402237939 /nfs/dbraw/zinc/23/79/39/402237939.db2.gz UOCRYOZSLUJVRT-AWEZNQCLSA-N 1 0 310.405 2.077 50 0 DEAARO c1nc2n(n1)C[C@H]([NH2+]CCOc1ccc3ccccc3c1)CC2 ZINC000069740386 402242071 /nfs/dbraw/zinc/24/20/71/402242071.db2.gz SIHINIBAHRMQEH-MRXNPFEDSA-N 1 0 308.385 2.415 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000069772496 402242872 /nfs/dbraw/zinc/24/28/72/402242872.db2.gz ZRJNDQYUHABLNH-HNNXBMFYSA-N 1 0 308.389 2.081 50 0 DEAARO CCCc1noc([C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000069778733 402243516 /nfs/dbraw/zinc/24/35/16/402243516.db2.gz LPYAMEPDSAYNCJ-KGLIPLIRSA-N 1 0 324.469 2.108 50 0 DEAARO NC(=O)[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccccc1 ZINC000069844524 402247119 /nfs/dbraw/zinc/24/71/19/402247119.db2.gz MTAFXVNCCCSCND-OAHLLOKOSA-N 1 0 306.312 2.160 50 0 DEAARO c1ccc2oc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)nc2c1 ZINC000069872325 402248328 /nfs/dbraw/zinc/24/83/28/402248328.db2.gz XEGHVJKIIMECLG-ZDUSSCGKSA-N 1 0 309.373 2.376 50 0 DEAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CCc2cccs2)CC1 ZINC000069951169 402252433 /nfs/dbraw/zinc/25/24/33/402252433.db2.gz FQANKKWQIIUHNC-HNNXBMFYSA-N 1 0 324.490 2.232 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3ccco3)oc1C)CC2 ZINC000069969089 402252904 /nfs/dbraw/zinc/25/29/04/402252904.db2.gz QWTMIIGSHWDJRS-GFCCVEGCSA-N 1 0 313.361 2.248 50 0 DEAARO CC[N@H+](C)CCNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000070040154 402256156 /nfs/dbraw/zinc/25/61/56/402256156.db2.gz VGOSCLSAVDUVEF-INIZCTEOSA-N 1 0 321.421 2.318 50 0 DEAARO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000109004717 402266795 /nfs/dbraw/zinc/26/67/95/402266795.db2.gz GHJMTFIWKAGDTR-INIZCTEOSA-N 1 0 324.428 2.375 50 0 DEAARO C[NH+](C)CCNc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000071283256 402272254 /nfs/dbraw/zinc/27/22/54/402272254.db2.gz XDLPTLYDDMHNJY-UHFFFAOYSA-N 1 0 322.412 2.418 50 0 DEAARO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2F)n1 ZINC000126273578 402272251 /nfs/dbraw/zinc/27/22/51/402272251.db2.gz INKMRRAHXSSAKU-ZDUSSCGKSA-N 1 0 316.380 2.062 50 0 DEAARO Cc1cc(C2CCC2)nc(NCC[C@@H](C)[NH+]2CCN(C)CC2)n1 ZINC000071415707 402273843 /nfs/dbraw/zinc/27/38/43/402273843.db2.gz JVLOJHQFNHSFKJ-OAHLLOKOSA-N 1 0 317.481 2.490 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2ccc(CO)o2)CCC[N@@H+]1CC1CC1 ZINC000071422229 402274431 /nfs/dbraw/zinc/27/44/31/402274431.db2.gz JQEIRPWWERSOAX-INIZCTEOSA-N 1 0 320.433 2.354 50 0 DEAARO CS(=O)(=O)c1cnc(-c2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071576037 402275552 /nfs/dbraw/zinc/27/55/52/402275552.db2.gz SIOHFRKKSVUXPT-CYBMUJFWSA-N 1 0 317.414 2.014 50 0 DEAARO Cc1ccc2oc(=O)n(C[N@H+](C[C@H]3CCOC3)C3CC3)c2c1 ZINC000071817268 402281697 /nfs/dbraw/zinc/28/16/97/402281697.db2.gz QOCFYKVKCAWNJF-CYBMUJFWSA-N 1 0 302.374 2.361 50 0 DEAARO CC(C)(CN1CCCO[C@H](Cn2cccn2)C1)[NH+]1CCCCC1 ZINC000215254828 402281782 /nfs/dbraw/zinc/28/17/82/402281782.db2.gz LHLRBHZPBKTEFQ-KRWDZBQOSA-N 1 0 320.481 2.239 50 0 DEAARO CC(C)(CN1CC(Oc2ccccc2F)C1)C[NH+]1CCOCC1 ZINC000215487019 402283362 /nfs/dbraw/zinc/28/33/62/402283362.db2.gz HIBNFPJJTKYBQR-UHFFFAOYSA-N 1 0 322.424 2.247 50 0 DEAARO CCSc1ncc(CN2CCN(c3cccnc3)CC2)cn1 ZINC000215955894 402285856 /nfs/dbraw/zinc/28/58/56/402285856.db2.gz NWANMRWPKZHHHA-UHFFFAOYSA-N 1 0 315.446 2.306 50 0 DEAARO O=C(CCn1cnc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839951 402286871 /nfs/dbraw/zinc/28/68/71/402286871.db2.gz AYZKGMIURONOCE-HNNXBMFYSA-N 1 0 312.417 2.123 50 0 DEAARO CC(C)(CN1CC(Oc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000216412476 402288742 /nfs/dbraw/zinc/28/87/42/402288742.db2.gz NJZSIDDEFHACFB-UHFFFAOYSA-N 1 0 304.434 2.108 50 0 DEAARO Cc1cnn(C[C@H]2CCCN2c2nc(N(C)C)cc(C)[nH+]2)c1 ZINC000071859605 402289787 /nfs/dbraw/zinc/28/97/87/402289787.db2.gz LFOPGYZACMOHEO-CQSZACIVSA-N 1 0 300.410 2.025 50 0 DEAARO Cc1ccc(F)cc1CNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219255119 402297995 /nfs/dbraw/zinc/29/79/95/402297995.db2.gz NJGBTGPQHDMFBH-UHFFFAOYSA-N 1 0 301.369 2.323 50 0 DEAARO O=C(CCC[NH+]1Cc2ccccc2C1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000220608440 402302265 /nfs/dbraw/zinc/30/22/65/402302265.db2.gz INAJAKNYQVFZCM-IKGGRYGDSA-N 1 0 300.402 2.076 50 0 DEAARO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000221289633 402303300 /nfs/dbraw/zinc/30/33/00/402303300.db2.gz KAYGWBDPXASPQL-KBPBESRZSA-N 1 0 310.463 2.430 50 0 DEAARO CC(C)Oc1cccc([C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000221882161 402305032 /nfs/dbraw/zinc/30/50/32/402305032.db2.gz LFFDYEAXAHIVTP-WMLDXEAASA-N 1 0 320.433 2.108 50 0 DEAARO OC1CC(c2cc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)ncn2)C1 ZINC000222772204 402308546 /nfs/dbraw/zinc/30/85/46/402308546.db2.gz DUADKVIRHFXPMF-CGZBRXJRSA-N 1 0 324.428 2.401 50 0 DEAARO Cc1nc2cc(CNc3cc(C4CC([NH3+])C4)ncn3)ccc2n1C ZINC000223129379 402309627 /nfs/dbraw/zinc/30/96/27/402309627.db2.gz DZXUGBKQHQTHIA-UHFFFAOYSA-N 1 0 322.416 2.489 50 0 DEAARO Ic1cn(C2COC2)c2cc[nH+]cc12 ZINC000223529962 402311607 /nfs/dbraw/zinc/31/16/07/402311607.db2.gz YVSFBTGTWKGCFC-UHFFFAOYSA-N 1 0 300.099 2.212 50 0 DEAARO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000225396836 402316779 /nfs/dbraw/zinc/31/67/79/402316779.db2.gz DFXWYUQMONTODO-NXEZZACHSA-N 1 0 302.168 2.473 50 0 DEAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccco2)on1 ZINC000229510116 402343464 /nfs/dbraw/zinc/34/34/64/402343464.db2.gz YWUBYYUQBPYHMN-HIFRSBDPSA-N 1 0 306.362 2.291 50 0 DEAARO O=C(CCN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc2c(c1)CCC2 ZINC000244811560 402450007 /nfs/dbraw/zinc/45/00/07/402450007.db2.gz SGWLMXGPFIYDED-SFHVURJKSA-N 1 0 313.445 2.284 50 0 DEAARO CN(CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000244866717 402450165 /nfs/dbraw/zinc/45/01/65/402450165.db2.gz WBDSCEWIWKBRDX-CYBMUJFWSA-N 1 0 307.413 2.426 50 0 DEAARO c1ncn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244853025 402450314 /nfs/dbraw/zinc/45/03/14/402450314.db2.gz VDWZCEXFEJRFKV-OAHLLOKOSA-N 1 0 324.388 2.208 50 0 DEAARO C[N@H+](CCC(=O)Nc1cccnc1)Cc1cnc2ccccn12 ZINC000244816907 402450322 /nfs/dbraw/zinc/45/03/22/402450322.db2.gz SQUHQVBZTZJZCZ-UHFFFAOYSA-N 1 0 309.373 2.190 50 0 DEAARO C[C@H](NC(=O)CCN1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000240517185 402442337 /nfs/dbraw/zinc/44/23/37/402442337.db2.gz NWKVPAZGIVBCNZ-INIZCTEOSA-N 1 0 315.461 2.424 50 0 DEAARO COC1(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC1 ZINC000241586389 402443481 /nfs/dbraw/zinc/44/34/81/402443481.db2.gz OVNZUGDPXVWVLO-MRXNPFEDSA-N 1 0 304.434 2.235 50 0 DEAARO Cc1cc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)no1 ZINC000186585151 402444293 /nfs/dbraw/zinc/44/42/93/402444293.db2.gz NIGHRVYIKNJTLJ-OAHLLOKOSA-N 1 0 314.389 2.163 50 0 DEAARO C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O ZINC000167472432 402491803 /nfs/dbraw/zinc/49/18/03/402491803.db2.gz BHHOWADKIVUGPW-RRMDADRESA-N 1 0 318.483 2.133 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000169781764 402502151 /nfs/dbraw/zinc/50/21/51/402502151.db2.gz XIMYZTWLZDIEOX-HNNXBMFYSA-N 1 0 308.447 2.005 50 0 DEAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCC[NH2+]C1 ZINC000246887336 402548629 /nfs/dbraw/zinc/54/86/29/402548629.db2.gz VDKBQOBACIXSPZ-OHFALNGGSA-N 1 0 302.418 2.363 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cnn(C)c1 ZINC000248930788 402614675 /nfs/dbraw/zinc/61/46/75/402614675.db2.gz XTJMYMKHHLVKSL-CZUORRHYSA-N 1 0 313.405 2.062 50 0 DEAARO CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C)Cc1cccc(Cl)c1 ZINC000252527544 402658057 /nfs/dbraw/zinc/65/80/57/402658057.db2.gz CVOOVADTCBLXOY-XBXGTLAGSA-N 1 0 319.840 2.305 50 0 DEAARO Cc1nnc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000252584707 402659038 /nfs/dbraw/zinc/65/90/38/402659038.db2.gz CHCXEZMBUBITAK-DVOMOZLQSA-N 1 0 315.421 2.334 50 0 DEAARO O=C(c1ccc(-n2ccnc2)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000252483566 402654972 /nfs/dbraw/zinc/65/49/72/402654972.db2.gz FFDQOXKFBJKLFN-UHFFFAOYSA-N 1 0 324.428 2.478 50 0 DEAARO COCCN1C[C@H](Cc2cccc(C[NH+]3CCCC3)c2)CC1=O ZINC000252497549 402656412 /nfs/dbraw/zinc/65/64/12/402656412.db2.gz QKDNYPYATBSZGF-GOSISDBHSA-N 1 0 316.445 2.320 50 0 DEAARO COCCN1C[C@H](Cc2ccc(C[NH+]3CCCC3)cc2)CC1=O ZINC000252500053 402656433 /nfs/dbraw/zinc/65/64/33/402656433.db2.gz SMLNXBRSDKEGAY-GOSISDBHSA-N 1 0 316.445 2.320 50 0 DEAARO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000182725436 402711641 /nfs/dbraw/zinc/71/16/41/402711641.db2.gz DVDLUHSINLCAKX-AWEZNQCLSA-N 1 0 308.426 2.299 50 0 DEAARO O[C@@H](C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000253430260 402666586 /nfs/dbraw/zinc/66/65/86/402666586.db2.gz XMHNNOMMFFDVQU-QWHCGFSZSA-N 1 0 323.742 2.243 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1cc(Br)cs1 ZINC000255009753 402675061 /nfs/dbraw/zinc/67/50/61/402675061.db2.gz 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ZINC000269600572 403149614 /nfs/dbraw/zinc/14/96/14/403149614.db2.gz AJJYJLVFKFDYEE-WCQYABFASA-N 1 0 300.399 2.025 50 0 DEAARO O[C@@H](CNc1ccc(F)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000283594577 403208778 /nfs/dbraw/zinc/20/87/78/403208778.db2.gz QDPCRGUZDINSGL-INIZCTEOSA-N 1 0 301.365 2.052 50 0 DEAARO CO[C@]12CC[N@H+](Cc3c(C)nc4ccccn43)[C@H]1C[C@@H](O)CC2 ZINC000299766934 403569721 /nfs/dbraw/zinc/56/97/21/403569721.db2.gz DWLXLVCEZXEWLQ-QILLFSRXSA-N 1 0 315.417 2.147 50 0 DEAARO CCCn1ncnc1[C@@H](C)NC(=O)CC[NH+]1CCCCCC1 ZINC000299767757 403569857 /nfs/dbraw/zinc/56/98/57/403569857.db2.gz JTMDCFNLTMXPPZ-CQSZACIVSA-N 1 0 307.442 2.131 50 0 DEAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)c2ccc(F)cc2)c1 ZINC000299777548 403572050 /nfs/dbraw/zinc/57/20/50/403572050.db2.gz QOYXTRILRUZYHF-UHFFFAOYSA-N 1 0 302.305 2.323 50 0 DEAARO CC(C)[C@@H](NC(=O)CSCC[NH+]1CCCC1)c1nccn1C ZINC000299783015 403573483 /nfs/dbraw/zinc/57/34/83/403573483.db2.gz GODHJNKUDMKFTM-OAHLLOKOSA-N 1 0 324.494 2.062 50 0 DEAARO CC[C@H]1C=CCN1C(=O)c1cc(OC)ccc1OCCC[NH3+] ZINC000299789929 403576134 /nfs/dbraw/zinc/57/61/34/403576134.db2.gz AEODNAAHXHNYQE-ZDUSSCGKSA-N 1 0 304.390 2.213 50 0 DEAARO Cc1noc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CCN2C)n1 ZINC000343865565 403766883 /nfs/dbraw/zinc/76/68/83/403766883.db2.gz NGORWBKSYVETLF-ZACQAIPSSA-N 1 0 312.417 2.470 50 0 DEAARO Cc1cnccc1OC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000289436445 403962531 /nfs/dbraw/zinc/96/25/31/403962531.db2.gz SQCWTLFTCACGFN-OAHLLOKOSA-N 1 0 319.449 2.489 50 0 DEAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1cc[nH]n1 ZINC000426425455 405359317 /nfs/dbraw/zinc/35/93/17/405359317.db2.gz OWHQFVRVKMYQMW-GOEBONIOSA-N 1 0 304.438 2.113 50 0 DEAARO CC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1cn2cccnc2n1 ZINC000426497379 405364665 /nfs/dbraw/zinc/36/46/65/405364665.db2.gz SYGQJSQHYVIFIG-CYBMUJFWSA-N 1 0 315.421 2.171 50 0 DEAARO C[NH2+]Cc1nnc(SCCCC(=O)c2ccc(F)cc2)n1C ZINC000426691138 405374603 /nfs/dbraw/zinc/37/46/03/405374603.db2.gz 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196251910 /nfs/dbraw/zinc/25/19/10/196251910.db2.gz WQGXWUGWJNHOFS-LBPRGKRZSA-N 1 0 311.223 2.250 50 0 DEAARO O=C(C[N@@H+]1CCC[C@H](c2ccccc2)C1)NC[C@H]1CCCOC1 ZINC000244735123 225217713 /nfs/dbraw/zinc/21/77/13/225217713.db2.gz NTEFYDFXRQQYBZ-AEFFLSMTSA-N 1 0 316.445 2.409 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000408519234 227239086 /nfs/dbraw/zinc/23/90/86/227239086.db2.gz ZQSUOAOIHMLEMZ-UKPHBRMFSA-N 1 0 318.417 2.196 50 0 DEAARO O=C(NCc1cc[nH]n1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044966347 424814563 /nfs/dbraw/zinc/81/45/63/424814563.db2.gz VGNMZFDKWIHGSC-AWEZNQCLSA-N 1 0 317.393 2.029 50 0 DEAARO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000108467107 424851417 /nfs/dbraw/zinc/85/14/17/424851417.db2.gz ZXNOPKSLNQIIJK-OCCSQVGLSA-N 1 0 316.492 2.081 50 0 DEAARO Cc1ccc(CN(C)C(=O)NCC[NH+]2CCC(C)CC2)nc1 ZINC000252509328 424888218 /nfs/dbraw/zinc/88/82/18/424888218.db2.gz YLDBPPZIRNICQI-UHFFFAOYSA-N 1 0 304.438 2.263 50 0 DEAARO COCC[N@@H+](Cc1ccc(Br)s1)C[C@H](C)O ZINC000252508683 424888338 /nfs/dbraw/zinc/88/83/38/424888338.db2.gz XQUNAJGGDAMOKD-VIFPVBQESA-N 1 0 308.241 2.340 50 0 DEAARO COCC(=O)N[C@H]1CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000257195679 424888721 /nfs/dbraw/zinc/88/87/21/424888721.db2.gz WQQWURBDZZVKQB-INIZCTEOSA-N 1 0 320.408 2.333 50 0 DEAARO CO[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[C@H]1[NH3+] ZINC000071746654 274081509 /nfs/dbraw/zinc/08/15/09/274081509.db2.gz UCZPJPXBOLKNRR-WBVHZDCISA-N 1 0 324.428 2.185 50 0 DEAARO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cncn3C)C2=O)c(C)c1 ZINC000188944781 274684192 /nfs/dbraw/zinc/68/41/92/274684192.db2.gz DXNUGZOAJMAGPH-MRXNPFEDSA-N 1 0 312.417 2.240 50 0 DEAARO CCN(CC)C(=O)C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000096493052 276088864 /nfs/dbraw/zinc/08/88/64/276088864.db2.gz LUGGENGHMFXEKS-ZWKOTPCHSA-N 1 0 316.445 2.225 50 0 DEAARO CC[NH+]1CCN(c2cc(C)nc3c4c(nn32)nc(C)cc4C)CC1 ZINC000002438129 276202607 /nfs/dbraw/zinc/20/26/07/276202607.db2.gz MHMATAADNZBERX-UHFFFAOYSA-N 1 0 324.432 2.345 50 0 DEAARO CCOCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000245344156 276312872 /nfs/dbraw/zinc/31/28/72/276312872.db2.gz XWDWXNZQJZEXRQ-YJBOKZPZSA-N 1 0 320.433 2.231 50 0 DEAARO CNC(=O)Nc1cccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC000097115906 277238989 /nfs/dbraw/zinc/23/89/89/277238989.db2.gz HZNFAVCWEAJCAK-OAHLLOKOSA-N 1 0 316.405 2.251 50 0 DEAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CCC2)C1 ZINC000246352848 278256715 /nfs/dbraw/zinc/25/67/15/278256715.db2.gz FWEBPJXJWUAMIK-CABCVRRESA-N 1 0 309.454 2.071 50 0 DEAARO C[C@H]1CCCC[C@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000095996185 278337140 /nfs/dbraw/zinc/33/71/40/278337140.db2.gz BIKJUCAUJCZUFJ-IRXDYDNUSA-N 1 0 324.513 2.092 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@H]1C[NH3+] ZINC000237441246 278477500 /nfs/dbraw/zinc/47/75/00/278477500.db2.gz VRWRFIULLQYXCD-WBMJQRKESA-N 1 0 316.380 2.211 50 0 DEAARO C[C@@](O)(C[NH2+]CCn1cccn1)c1cccc(C(F)(F)F)c1 ZINC000069901715 279150846 /nfs/dbraw/zinc/15/08/46/279150846.db2.gz UHIWMWSBANXGHY-CQSZACIVSA-N 1 0 313.323 2.399 50 0 DEAARO [NH3+]C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000237832846 295213411 /nfs/dbraw/zinc/21/34/11/295213411.db2.gz ZXQGXEOITOTJTK-KRWDZBQOSA-N 1 0 319.424 2.130 50 0 DEAARO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCO1 ZINC000195560575 302184467 /nfs/dbraw/zinc/18/44/67/302184467.db2.gz MMMAMPJRWUJNIL-WMZOPIPTSA-N 1 0 304.434 2.137 50 0 DEAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000097113859 303328413 /nfs/dbraw/zinc/32/84/13/303328413.db2.gz SVDNISYCDASOAL-QWHCGFSZSA-N 1 0 321.387 2.037 50 0 DEAARO Cc1nn(C)c(C)c1CC(=O)NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000042558958 331691677 /nfs/dbraw/zinc/69/16/77/331691677.db2.gz IZEIFPUATPOJRQ-MRXNPFEDSA-N 1 0 320.481 2.206 50 0 DEAARO CC(C)n1c(=O)c2ccccc2n(CC[NH+]2CCCCC2)c1=O ZINC000071281281 331921561 /nfs/dbraw/zinc/92/15/61/331921561.db2.gz CARPJGLKKOAXIA-UHFFFAOYSA-N 1 0 315.417 2.230 50 0 DEAARO CC[N@H+](CC(=O)Nc1ccc2nnc(C(C)C)n2c1)C1CC1 ZINC000189236967 333066921 /nfs/dbraw/zinc/06/69/21/333066921.db2.gz QILWTRNZLZUSMC-UHFFFAOYSA-N 1 0 301.394 2.276 50 0 DEAARO C[C@H](Cn1ccnc1)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534633616 334308466 /nfs/dbraw/zinc/30/84/66/334308466.db2.gz VXCVVCRFHSTZNI-CQSZACIVSA-N 1 0 304.438 2.042 50 0 DEAARO Cc1ccn(CC(=O)N[C@H](CC[NH+](C)C)c2ccccc2)n1 ZINC000534664682 334318283 /nfs/dbraw/zinc/31/82/83/334318283.db2.gz JTWNKRITASYUEU-MRXNPFEDSA-N 1 0 300.406 2.001 50 0 DEAARO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000239539288 534011742 /nfs/dbraw/zinc/01/17/42/534011742.db2.gz AWDGRYIXQJHBKA-UHOFOFEASA-N 1 0 315.417 2.105 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC)C1 ZINC000245344136 527833226 /nfs/dbraw/zinc/83/32/26/527833226.db2.gz XTBIUSYQFNWMRQ-JYJNAYRXSA-N 1 0 311.470 2.317 50 0 DEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(Cl)c1 ZINC000299760485 528056076 /nfs/dbraw/zinc/05/60/76/528056076.db2.gz TYSPZSKITSQDHZ-CABCVRRESA-N 1 0 309.841 2.110 50 0 DEAARO OCCCCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000023095229 625066178 /nfs/dbraw/zinc/06/61/78/625066178.db2.gz SJVALVJEKQFIIB-KRWDZBQOSA-N 1 0 302.462 2.182 50 0 DEAARO O[C@H](CNc1cc(C(F)(F)F)ccn1)C[NH+]1CCCCC1 ZINC000176795389 625232486 /nfs/dbraw/zinc/23/24/86/625232486.db2.gz TZUOLZKKKJCMNZ-GFCCVEGCSA-N 1 0 303.328 2.359 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000124348612 633342957 /nfs/dbraw/zinc/34/29/57/633342957.db2.gz FNDUJSYWDPBAFU-GFCCVEGCSA-N 1 0 306.381 2.186 50 0 DEAARO CC(C)(CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)Oc1ccccc1 ZINC000888094347 635501738 /nfs/dbraw/zinc/50/17/38/635501738.db2.gz JJHFBQTYFKZUKA-HOTGVXAUSA-N 1 0 302.418 2.491 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCCC3)C2=O)c1 ZINC000011933372 635914696 /nfs/dbraw/zinc/91/46/96/635914696.db2.gz JIZLGRBFRQHBNV-IBGZPJMESA-N 1 0 316.445 2.381 50 0 DEAARO CN(C)C(=O)CCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012571896 636062249 /nfs/dbraw/zinc/06/22/49/636062249.db2.gz MCUDCKZOFQMPAC-INIZCTEOSA-N 1 0 323.481 2.016 50 0 DEAARO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 ZINC000012440434 636633174 /nfs/dbraw/zinc/63/31/74/636633174.db2.gz RTHFGFJVJCAKTB-GOSISDBHSA-N 1 0 309.413 2.323 50 0 DEAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CC3CCC3)C2=O)s1 ZINC000055255798 646423063 /nfs/dbraw/zinc/42/30/63/646423063.db2.gz RKJOTMQAWIHMCZ-QGZVFWFLSA-N 1 0 322.474 2.300 50 0 DEAARO Cc1cccc2c1CCN(C[C@H](O)C[NH+]1CCC(C)CC1)C2 ZINC000171648983 646709349 /nfs/dbraw/zinc/70/93/49/646709349.db2.gz UUBWHKXXNVYAPD-GOSISDBHSA-N 1 0 302.462 2.446 50 0 DEAARO COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000850437662 647901696 /nfs/dbraw/zinc/90/16/96/647901696.db2.gz REUOCTSADSPKCO-CZUORRHYSA-N 1 0 307.390 2.038 50 0 DEAARO Cc1ccn(CCNC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)n1 ZINC000020452270 683858947 /nfs/dbraw/zinc/85/89/47/683858947.db2.gz MBWQPJOPMGAFCR-GFCCVEGCSA-N 1 0 304.419 2.108 50 0 DEAARO CC(C)n1cnnc1CN(C)C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065530442 683924257 /nfs/dbraw/zinc/92/42/57/683924257.db2.gz QLGAAUROZZNQRV-UHFFFAOYSA-N 1 0 319.453 2.226 50 0 DEAARO CC1(C)CNC(=O)c2[nH]c([C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2C1 ZINC000067758323 683924734 /nfs/dbraw/zinc/92/47/34/683924734.db2.gz MSUUZCAVXIZZAJ-TZMCWYRMSA-N 1 0 316.449 2.454 50 0 DEAARO COCC(=O)Nc1ccc(NC(=O)CCC[NH+]2CCCC2)cc1 ZINC000072866230 683928118 /nfs/dbraw/zinc/92/81/18/683928118.db2.gz ISKUSCHOJXZSDN-UHFFFAOYSA-N 1 0 319.405 2.086 50 0 DEAARO CC[N@H+](CC(C)(C)O)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000158174511 684296188 /nfs/dbraw/zinc/29/61/88/684296188.db2.gz RAWNBXLAMJPNNK-OAHLLOKOSA-N 1 0 308.397 2.414 50 0 DEAARO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc3c2OCO3)CC1 ZINC000194342567 685064453 /nfs/dbraw/zinc/06/44/53/685064453.db2.gz KDPZQGWHWYYBGX-UHFFFAOYSA-N 1 0 304.390 2.408 50 0 DEAARO Cc1ccc(C[NH+]2CCC(c3ncc(C)n3CCO)CC2)o1 ZINC000675019019 778335401 /nfs/dbraw/zinc/33/54/01/778335401.db2.gz DIPNEDNYJOZDSG-UHFFFAOYSA-N 1 0 303.406 2.465 50 0 DEAARO Cc1cc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc(=O)[nH]1 ZINC000825269030 783624226 /nfs/dbraw/zinc/62/42/26/783624226.db2.gz PIWIGOQGXSQDJB-UHFFFAOYSA-N 1 0 317.433 2.480 50 0 DEAARO Cn1ccc2cc(C[NH+]3CCC(c4nc(N)n[nH]4)CC3)ccc21 ZINC000827593176 783678109 /nfs/dbraw/zinc/67/81/09/783678109.db2.gz ZCBMWBJDLNVRKK-UHFFFAOYSA-N 1 0 310.405 2.258 50 0 DEAARO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCC(=O)NC34CCC4)cc2)cn1 ZINC000585080471 789678527 /nfs/dbraw/zinc/67/85/27/789678527.db2.gz WZIJLJMICPVYFE-QGZVFWFLSA-N 1 0 324.428 2.378 50 0 DEAARO Cn1cc(-c2ccc(C[NH2+][C@H]3CCC(=O)NC34CCC4)cc2)cn1 ZINC000585080470 789678974 /nfs/dbraw/zinc/67/89/74/789678974.db2.gz WZIJLJMICPVYFE-KRWDZBQOSA-N 1 0 324.428 2.378 50 0 DEAARO C[N@@H+]1C[C@H]2CCCN(CCC(=O)Nc3cccc(F)c3)[C@H]2C1 ZINC000585115990 789701930 /nfs/dbraw/zinc/70/19/30/789701930.db2.gz CSHQFTFFNBPPKB-CJNGLKHVSA-N 1 0 305.397 2.180 50 0 DEAARO C[C@H]1C[C@H]([NH2+]Cc2sccc2Br)CC(=O)N1 ZINC000585118267 789704639 /nfs/dbraw/zinc/70/46/39/789704639.db2.gz IOJJSPPFVVWEAI-YUMQZZPRSA-N 1 0 303.225 2.267 50 0 DEAARO CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000952964634 792812593 /nfs/dbraw/zinc/81/25/93/792812593.db2.gz AZAYHHJKAGZTNE-LLVKDONJSA-N 1 0 323.824 2.370 50 0 DEAARO Cc1nc(C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)n(C)c1C ZINC000952966932 792849003 /nfs/dbraw/zinc/84/90/03/792849003.db2.gz HKIVUGIOEONSDI-AWEZNQCLSA-N 1 0 316.405 2.024 50 0 DEAARO CCNC(=O)c1cc(NC(=O)C2([NH3+])CCCC2)ccc1Cl ZINC000952982894 792860435 /nfs/dbraw/zinc/86/04/35/792860435.db2.gz NGAMUAJVAIPWPZ-UHFFFAOYSA-N 1 0 309.797 2.300 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccnnc1 ZINC000885938943 799512657 /nfs/dbraw/zinc/51/26/57/799512657.db2.gz ITAPMLZNZQHNJG-UHFFFAOYSA-N 1 0 316.430 2.180 50 0 DEAARO COc1cc(F)ccc1C[N@H+]1C[C@@H](Cc2ccncc2)[C@H](O)C1 ZINC001529168980 1070896277 /nfs/dbraw/zinc/89/62/77/1070896277.db2.gz PEBDIHLZISIJEL-NVXWUHKLSA-N 1 0 316.376 2.265 50 0 DEAARO Cn1ccc2ccc(C[N@H+]3C[C@@H](Cc4cnccn4)[C@H](O)C3)cc21 ZINC001529195891 1070911755 /nfs/dbraw/zinc/91/17/55/1070911755.db2.gz PLQSACBDDNAPGX-VQIMIIECSA-N 1 0 322.412 2.004 50 0 DEAARO Cc1noc(C)c1C(=O)Nc1ccnn1C1CC[NH+](C)CC1 ZINC001506395844 1061937581 /nfs/dbraw/zinc/93/75/81/1061937581.db2.gz NVAONTZMCOJGDD-UHFFFAOYSA-N 1 0 303.366 2.007 50 0 DEAARO Cc1nc2ccccc2c(N(C)C[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC001506413166 1061955658 /nfs/dbraw/zinc/95/56/58/1061955658.db2.gz HKMPEGMBSANKNY-HNNXBMFYSA-N 1 0 314.433 2.079 50 0 DEAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)S(=O)(=O)Cc1ccccc1 ZINC000823755032 1090696520 /nfs/dbraw/zinc/69/65/20/1090696520.db2.gz QHLTZAUGNSASLE-OAHLLOKOSA-N 1 0 310.463 2.179 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCc1ccccc1-2 ZINC000095473617 185372792 /nfs/dbraw/zinc/37/27/92/185372792.db2.gz GBBFLXAHVHNMGS-AWEZNQCLSA-N 1 0 324.428 2.389 50 0 DEAARO COCCC[NH+]1CCN(C(=O)Nc2ccc(OC)cc2C)CC1 ZINC000095519529 185377210 /nfs/dbraw/zinc/37/72/10/185377210.db2.gz UEXWCVBYUVEESC-UHFFFAOYSA-N 1 0 321.421 2.190 50 0 DEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCn2cccc2C1 ZINC000095523216 185377778 /nfs/dbraw/zinc/37/77/78/185377778.db2.gz OZBVSJOQIKENCO-HNNXBMFYSA-N 1 0 313.401 2.336 50 0 DEAARO C[NH+]1CCC(COc2cnc(-c3cccc(CO)c3)nc2)CC1 ZINC000095630178 185383088 /nfs/dbraw/zinc/38/30/88/185383088.db2.gz RKSFCTQWIPYSLR-UHFFFAOYSA-N 1 0 313.401 2.357 50 0 DEAARO C[N@H+](Cc1cc(=O)c(O)co1)[C@H]1CCCN(c2ccccc2)C1 ZINC000078969214 185137198 /nfs/dbraw/zinc/13/71/98/185137198.db2.gz VEJLLLCSQBPBSU-HNNXBMFYSA-N 1 0 314.385 2.446 50 0 DEAARO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cn[nH]n1 ZINC000079034640 185147715 /nfs/dbraw/zinc/14/77/15/185147715.db2.gz CHHHYCDJCRRPQC-UHFFFAOYSA-N 1 0 313.405 2.111 50 0 DEAARO CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079101876 185158369 /nfs/dbraw/zinc/15/83/69/185158369.db2.gz UUAMPYXXMIQLRI-CQSZACIVSA-N 1 0 305.422 2.206 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000079336606 185165737 /nfs/dbraw/zinc/16/57/37/185165737.db2.gz MLMCVKYJHDTNSI-SFHVURJKSA-N 1 0 315.461 2.378 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cnc2cc(C)ccn12 ZINC000089949121 185270980 /nfs/dbraw/zinc/27/09/80/185270980.db2.gz DIAAHGAMMMKHBH-WBVHZDCISA-N 1 0 314.433 2.379 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000090411115 185294682 /nfs/dbraw/zinc/29/46/82/185294682.db2.gz QNMIHQPZCYSEJP-ZFWWWQNUSA-N 1 0 321.396 2.433 50 0 DEAARO Nc1ccnc(N2C[C@@H]3CC[N@H+](CCCc4ccccc4)[C@@H]3C2)n1 ZINC000082121267 192358765 /nfs/dbraw/zinc/35/87/65/192358765.db2.gz GPVKLFXPUGKFLJ-DLBZAZTESA-N 1 0 323.444 2.202 50 0 DEAARO C[C@H](C1CCN(c2ccc(Cn3ccnc3)cn2)CC1)[NH+](C)C ZINC000082134664 192361266 /nfs/dbraw/zinc/36/12/66/192361266.db2.gz SHSYUGNETWHHMK-OAHLLOKOSA-N 1 0 313.449 2.493 50 0 DEAARO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000095410763 185357388 /nfs/dbraw/zinc/35/73/88/185357388.db2.gz VSILUGHFGOPLJV-IYBDPMFKSA-N 1 0 316.449 2.241 50 0 DEAARO Cc1ccc(SCC[N@@H+]2CCCN(C(N)=O)CC2)cc1C ZINC000095430653 185363328 /nfs/dbraw/zinc/36/33/28/185363328.db2.gz ZABNLBZKAYENQZ-UHFFFAOYSA-N 1 0 307.463 2.482 50 0 DEAARO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccc2cccnc21 ZINC000095432067 185363558 /nfs/dbraw/zinc/36/35/58/185363558.db2.gz DRVUOHQLHYWXAF-UHFFFAOYSA-N 1 0 307.419 2.031 50 0 DEAARO C[C@H](CCn1cncn1)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000095421304 185360465 /nfs/dbraw/zinc/36/04/65/185360465.db2.gz SKQJNKBAVXEYCS-CYBMUJFWSA-N 1 0 316.405 2.353 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccn(-c2nccs2)n1 ZINC000095444161 185367113 /nfs/dbraw/zinc/36/71/13/185367113.db2.gz PMAZTSRSMHWJNQ-LLVKDONJSA-N 1 0 322.438 2.181 50 0 DEAARO CC(=O)NCCC[NH2+]Cc1cc(F)ccc1Br ZINC000095445233 185367289 /nfs/dbraw/zinc/36/72/89/185367289.db2.gz YGHXKWJNDRRXOC-UHFFFAOYSA-N 1 0 303.175 2.204 50 0 DEAARO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000077403214 539363464 /nfs/dbraw/zinc/36/34/64/539363464.db2.gz AAVHOIXQUQIQEL-INIZCTEOSA-N 1 0 318.396 2.262 50 0 DEAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299753218 529982263 /nfs/dbraw/zinc/98/22/63/529982263.db2.gz XHTAUYDUKOJPSX-MSOLQXFVSA-N 1 0 310.397 2.035 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccnc3)C2)c1 ZINC000083920109 539391527 /nfs/dbraw/zinc/39/15/27/539391527.db2.gz DGVJYKAXBDVHAN-OAHLLOKOSA-N 1 0 313.401 2.467 50 0 DEAARO Cc1ccc2nc(C[NH+]3CCC4(CC3)OC[C@H](C)O4)cn2c1 ZINC000084088426 539392280 /nfs/dbraw/zinc/39/22/80/539392280.db2.gz IYWXHBHCUVZFNN-AWEZNQCLSA-N 1 0 301.390 2.370 50 0 DEAARO CC(C)[C@H](CNC(=O)[C@@H](c1ccccc1)n1cccn1)[NH+](C)C ZINC000084410305 539394962 /nfs/dbraw/zinc/39/49/62/539394962.db2.gz JVMPPOCSZQYQPV-DLBZAZTESA-N 1 0 314.433 2.175 50 0 DEAARO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000085357795 539399843 /nfs/dbraw/zinc/39/98/43/539399843.db2.gz NCLFDRWXJXSAIO-OCCSQVGLSA-N 1 0 307.825 2.116 50 0 DEAARO Cc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)ccc1-n1cncn1 ZINC000085332982 539400181 /nfs/dbraw/zinc/40/01/81/539400181.db2.gz IUDDFOSURUCYME-OALUTQOASA-N 1 0 320.396 2.324 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)n1 ZINC000084714680 539397975 /nfs/dbraw/zinc/39/79/75/539397975.db2.gz HJAXOMUPYQDMHH-OBJOEFQTSA-N 1 0 320.437 2.491 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCOCC2)[C@H]1c1cccs1 ZINC000247642013 530061190 /nfs/dbraw/zinc/06/11/90/530061190.db2.gz TVEFHTKJKWRLKO-HIFRSBDPSA-N 1 0 323.462 2.173 50 0 DEAARO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920183 539418512 /nfs/dbraw/zinc/41/85/12/539418512.db2.gz OTPCGYKZJBVXLU-ZDUSSCGKSA-N 1 0 300.406 2.044 50 0 DEAARO COc1ccc2oc(C[N@H+](C)CCN3CCOC3=O)cc2c1 ZINC000092044193 539422830 /nfs/dbraw/zinc/42/28/30/539422830.db2.gz PMTLNFQIECVGDH-UHFFFAOYSA-N 1 0 304.346 2.325 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000070173461 190867081 /nfs/dbraw/zinc/86/70/81/190867081.db2.gz CMISFPJTAQWMJQ-UWVGGRQHSA-N 1 0 320.817 2.227 50 0 DEAARO C[C@H](C[NH3+])CNC(=O)Cc1ccc(Cl)cc1Br ZINC000170051263 539614113 /nfs/dbraw/zinc/61/41/13/539614113.db2.gz LPGRWKVRGVZHLE-MRVPVSSYSA-N 1 0 319.630 2.356 50 0 DEAARO CCCc1nc2c(cnn2C)c(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000072127275 191042835 /nfs/dbraw/zinc/04/28/35/191042835.db2.gz OONYFVOMPXYNQZ-ZDUSSCGKSA-N 1 0 316.453 2.094 50 0 DEAARO c1ccc(-c2nc3c(c(NC[C@H]4C[NH2+]CCOC4)n2)CCC3)cc1 ZINC000072126558 191043697 /nfs/dbraw/zinc/04/36/97/191043697.db2.gz SNWVJHDWZMUCJL-CQSZACIVSA-N 1 0 324.428 2.280 50 0 DEAARO Cc1cccc(NC(=O)N2CCOC[C@H](C[NH+](C)C)C2)c1C ZINC000072141661 191049065 /nfs/dbraw/zinc/04/90/65/191049065.db2.gz VKMYPZYJDGSDAE-OAHLLOKOSA-N 1 0 305.422 2.345 50 0 DEAARO CCCc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000072153915 191057577 /nfs/dbraw/zinc/05/75/77/191057577.db2.gz NOAVGRZVVRPSRI-GOSISDBHSA-N 1 0 304.434 2.168 50 0 DEAARO Fc1ccccc1[C@@H]1CCN(Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072153714 191057646 /nfs/dbraw/zinc/05/76/46/191057646.db2.gz UHQKXARESNOKOY-CYBMUJFWSA-N 1 0 300.381 2.115 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)[C@H]2CCCO[C@H]21 ZINC000253370164 186300747 /nfs/dbraw/zinc/30/07/47/186300747.db2.gz NBXUJPPVBRTLII-RKTXRCNFSA-N 1 0 323.408 2.359 50 0 DEAARO C[C@H](C(=O)NCc1nc2ccccc2n1C)[NH+]1CCCCCC1 ZINC000172013323 198025910 /nfs/dbraw/zinc/02/59/10/198025910.db2.gz SJKDNGXPBKLMKA-CQSZACIVSA-N 1 0 314.433 2.454 50 0 DEAARO Cc1cnn(CCC(=O)N2CCC([C@H](C)[NH+]3CCCC3)CC2)c1 ZINC000072418217 191156662 /nfs/dbraw/zinc/15/66/62/191156662.db2.gz CLNVOBQODDXABH-INIZCTEOSA-N 1 0 318.465 2.305 50 0 DEAARO Cn1cncc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072428450 191161894 /nfs/dbraw/zinc/16/18/94/191161894.db2.gz SLDHDFGTOKNZPH-UHFFFAOYSA-N 1 0 324.428 2.083 50 0 DEAARO CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](C[C@H]3CCCO3)C2)o1 ZINC000299754310 539859980 /nfs/dbraw/zinc/85/99/80/539859980.db2.gz FITNJPKFGSNOPV-LSDHHAIUSA-N 1 0 307.438 2.483 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cccc(CCC(C)(C)O)c2)CC[NH2+]1 ZINC000072475885 191176755 /nfs/dbraw/zinc/17/67/55/191176755.db2.gz QOOIQVPWNCDJFR-MRXNPFEDSA-N 1 0 304.434 2.214 50 0 DEAARO CC(C)(O)CCc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000072478067 191179598 /nfs/dbraw/zinc/17/95/98/191179598.db2.gz UMMHQYOALDVALW-KRWDZBQOSA-N 1 0 316.445 2.310 50 0 DEAARO CCN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000022029628 354052268 /nfs/dbraw/zinc/05/22/68/354052268.db2.gz XLADGMJAOJTUKK-DLBZAZTESA-N 1 0 306.450 2.117 50 0 DEAARO COc1cc2c(cc1OC)CN(C(=O)C[NH2+]CCC(C)C)CC2 ZINC000004198647 181084407 /nfs/dbraw/zinc/08/44/07/181084407.db2.gz NGHMWSHLVWGLRR-UHFFFAOYSA-N 1 0 320.433 2.224 50 0 DEAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058909661 354601167 /nfs/dbraw/zinc/60/11/67/354601167.db2.gz LAXASRYNLUSPGX-UHFFFAOYSA-N 1 0 318.465 2.056 50 0 DEAARO C[NH+](C)C1(CNC(=O)CCCn2cccn2)CCCCCC1 ZINC000063536916 354649033 /nfs/dbraw/zinc/64/90/33/354649033.db2.gz DLKQWEGPFOOVCS-UHFFFAOYSA-N 1 0 306.454 2.434 50 0 DEAARO OCC1CC[NH+](CCNc2ncccc2C(F)(F)F)CC1 ZINC000068764486 354830155 /nfs/dbraw/zinc/83/01/55/354830155.db2.gz ADHHUJYNYKOLNR-UHFFFAOYSA-N 1 0 303.328 2.217 50 0 DEAARO CC(=O)c1c(=[NH2+])sc(-c2ccccc2)nc1N1CCOCC1 ZINC000075272647 355077786 /nfs/dbraw/zinc/07/77/86/355077786.db2.gz TYGLMDMJQXKUCY-UHFFFAOYSA-N 1 0 315.398 2.329 50 0 DEAARO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C(N)=O)ccc1C ZINC000075107880 355069061 /nfs/dbraw/zinc/06/90/61/355069061.db2.gz QPFJVWJJLVZTLR-CQSZACIVSA-N 1 0 318.421 2.090 50 0 DEAARO Cc1ccc(CCNC(=O)NCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000075610408 355096806 /nfs/dbraw/zinc/09/68/06/355096806.db2.gz OAQFIHGFFGCJAS-OAHLLOKOSA-N 1 0 304.438 2.106 50 0 DEAARO CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862223 191375445 /nfs/dbraw/zinc/37/54/45/191375445.db2.gz QQZUXNXRAZJYRC-QGZVFWFLSA-N 1 0 316.449 2.488 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)CC)C[C@@H]2C)n1 ZINC000078896827 355284345 /nfs/dbraw/zinc/28/43/45/355284345.db2.gz UHEVMBATJAAUEU-AVGNSLFASA-N 1 0 308.426 2.320 50 0 DEAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000078898853 355284374 /nfs/dbraw/zinc/28/43/74/355284374.db2.gz QDRSYBZTBARSDX-ZFWWWQNUSA-N 1 0 314.451 2.208 50 0 DEAARO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCO1 ZINC000076084795 191574160 /nfs/dbraw/zinc/57/41/60/191574160.db2.gz MEESYWPMEFQOTO-NUEKZKHPSA-N 1 0 309.454 2.118 50 0 DEAARO O=C(CCc1cccnc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093064970 355665956 /nfs/dbraw/zinc/66/59/56/355665956.db2.gz XNSWNUJXLFXJKD-UHFFFAOYSA-N 1 0 324.428 2.442 50 0 DEAARO CC(C)[NH+](CCNC(=O)CN1C(=O)C[C@@H]2CCCC[C@@H]21)C(C)C ZINC000096028185 355698099 /nfs/dbraw/zinc/69/80/99/355698099.db2.gz VATWEOXMKVVWJE-HOTGVXAUSA-N 1 0 323.481 2.013 50 0 DEAARO COc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1OC ZINC000106778968 355725832 /nfs/dbraw/zinc/72/58/32/355725832.db2.gz PCMJWZKFFKLIDP-HUUCEWRRSA-N 1 0 318.417 2.403 50 0 DEAARO CC(=O)NC1CCC([NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000133096530 355854818 /nfs/dbraw/zinc/85/48/18/355854818.db2.gz ACULNEZHHYBQMX-ABHNRTSZSA-N 1 0 307.482 2.288 50 0 DEAARO COC[C@@H]1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2 ZINC000169782273 355982531 /nfs/dbraw/zinc/98/25/31/355982531.db2.gz FWHCXJDTQWLJJV-AWEZNQCLSA-N 1 0 322.836 2.428 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)c2ccc(F)cc2)CC1 ZINC000169792336 355985134 /nfs/dbraw/zinc/98/51/34/355985134.db2.gz YIOKDCVRJKXWEP-AWEZNQCLSA-N 1 0 320.408 2.399 50 0 DEAARO COc1ccc(F)c(C(=O)N(C)C2CC[NH+](C)CC2)c1OC ZINC000170607531 355988637 /nfs/dbraw/zinc/98/86/37/355988637.db2.gz QUEWEEYTGFFQST-UHFFFAOYSA-N 1 0 310.369 2.009 50 0 DEAARO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000195549801 356256120 /nfs/dbraw/zinc/25/61/20/356256120.db2.gz NVKYEWLNHFDHID-HUUCEWRRSA-N 1 0 316.511 2.196 50 0 DEAARO CCN(C[C@@H]1CN([C@@H]2C=CCCC2)CCO1)c1cccnn1 ZINC000229913964 356283052 /nfs/dbraw/zinc/28/30/52/356283052.db2.gz FFXRKBDJICVFBR-HZPDHXFCSA-N 1 0 302.422 2.112 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)COCCc1ccccc1 ZINC000257365624 356338923 /nfs/dbraw/zinc/33/89/23/356338923.db2.gz ANOQXKMFQZDERR-QZTJIDSGSA-N 1 0 316.445 2.331 50 0 DEAARO CO[C@@H]1CC[N@@H+](C2CCN(C(=O)c3cc(C)oc3C)CC2)C1 ZINC000575605090 540250290 /nfs/dbraw/zinc/25/02/90/540250290.db2.gz HKSJYFOSAJGYIY-OAHLLOKOSA-N 1 0 306.406 2.222 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)C1 ZINC000237194492 202184143 /nfs/dbraw/zinc/18/41/43/202184143.db2.gz IXMZADAIAOIXOQ-HEWZJLJBSA-N 1 0 318.417 2.175 50 0 DEAARO CCc1noc(CC[NH2+][C@H]2CCc3ccc(OC)cc3C2)n1 ZINC000584887144 357326353 /nfs/dbraw/zinc/32/63/53/357326353.db2.gz GLYZGYSKZAZFCW-AWEZNQCLSA-N 1 0 301.390 2.330 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc2[nH]cnc2c1 ZINC000584890191 357327426 /nfs/dbraw/zinc/32/74/26/357327426.db2.gz NTAQVTKFWUFDFE-AWEZNQCLSA-N 1 0 300.406 2.444 50 0 DEAARO O=C(CCc1cn[nH]c1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000584898978 357330389 /nfs/dbraw/zinc/33/03/89/357330389.db2.gz QWSWFUOIXKJVMW-UHFFFAOYSA-N 1 0 304.438 2.209 50 0 DEAARO CS[C@H](C)CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179246730 199004450 /nfs/dbraw/zinc/00/44/50/199004450.db2.gz GJMBDJYFHSAICR-CYBMUJFWSA-N 1 0 307.463 2.304 50 0 DEAARO COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000237305529 202225394 /nfs/dbraw/zinc/22/53/94/202225394.db2.gz FPMIBDXTNDVWSQ-TUPWZPNASA-N 1 0 306.381 2.433 50 0 DEAARO COc1ccccc1-c1nc(C(=O)N2CC[NH2+][C@H](C)C2)cs1 ZINC000237349989 202240431 /nfs/dbraw/zinc/24/04/31/202240431.db2.gz HQTQBGKPQYTSOE-LLVKDONJSA-N 1 0 317.414 2.253 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000237427080 202262405 /nfs/dbraw/zinc/26/24/05/202262405.db2.gz CXOCZONRUGIRQK-RYUDHWBXSA-N 1 0 316.854 2.229 50 0 DEAARO C[C@H]([NH2+]CCn1cccn1)c1cccc(N2CCOC2=O)c1 ZINC000089514765 192808268 /nfs/dbraw/zinc/80/82/68/192808268.db2.gz GUFOCIIEBYOHJK-ZDUSSCGKSA-N 1 0 300.362 2.191 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000237694121 202330243 /nfs/dbraw/zinc/33/02/43/202330243.db2.gz JOMFIDWEQCLVIB-JKSUJKDBSA-N 1 0 316.445 2.287 50 0 DEAARO [NH3+]CCC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000237850449 202371454 /nfs/dbraw/zinc/37/14/54/202371454.db2.gz QUCLFXHEDQFVOB-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO CCOC(=O)C(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)OCC ZINC000005952717 181300186 /nfs/dbraw/zinc/30/01/86/181300186.db2.gz NUTCFCRMWDHHTB-DZGCQCFKSA-N 1 0 311.422 2.383 50 0 biogenic DEAARO CCCC[NH+]1CCC(NC(=O)N2CCO[C@](C)(CC)C2)CC1 ZINC000190441307 200536891 /nfs/dbraw/zinc/53/68/91/200536891.db2.gz CIVZNZPVEOHVRN-QGZVFWFLSA-N 1 0 311.470 2.461 50 0 DEAARO OC[C@@H]1CCC[N@H+](CCNc2cccc(C(F)(F)F)n2)C1 ZINC000670439859 540933123 /nfs/dbraw/zinc/93/31/23/540933123.db2.gz BVPHJUBVROONPV-LLVKDONJSA-N 1 0 303.328 2.217 50 0 DEAARO Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCOc3ccc(CO)cc3C2)n1 ZINC000670445215 540934455 /nfs/dbraw/zinc/93/44/55/540934455.db2.gz YFQJFVGQFKJETC-OAHLLOKOSA-N 1 0 315.417 2.275 50 0 DEAARO Cc1sc2ncn([C@H]3COC4(C3)CC[NH2+]CC4)c(=O)c2c1C ZINC000670449451 540935081 /nfs/dbraw/zinc/93/50/81/540935081.db2.gz YFNINGXEWMQVNR-GFCCVEGCSA-N 1 0 319.430 2.158 50 0 DEAARO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 ZINC000194865938 201303589 /nfs/dbraw/zinc/30/35/89/201303589.db2.gz XVKJJAWJYOWPII-RHSMWYFYSA-N 1 0 322.474 2.251 50 0 DEAARO CC[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000006626791 181362393 /nfs/dbraw/zinc/36/23/93/181362393.db2.gz FHSOQWBPQITTJV-JKSUJKDBSA-N 1 0 309.450 2.393 50 0 DEAARO CCOc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1OCC(N)=O ZINC000006701414 181373423 /nfs/dbraw/zinc/37/34/23/181373423.db2.gz MOGRLSGKJCOKNQ-LBPRGKRZSA-N 1 0 308.422 2.474 50 0 DEAARO Cc1c([C@@H](C)NC(=O)C[NH3+])cnn1-c1cccc2ccccc21 ZINC000091461318 193059117 /nfs/dbraw/zinc/05/91/17/193059117.db2.gz KCFVBCSGFQAOLL-GFCCVEGCSA-N 1 0 308.385 2.470 50 0 DEAARO C/C=C(\C)C[N@H+]1C[C@H](NC(=O)CCOC)[C@@H](c2ccc(C)o2)C1 ZINC000091441171 193056195 /nfs/dbraw/zinc/05/61/95/193056195.db2.gz SJBLFOAPSXMDEN-RIKNHUIHSA-N 1 0 320.433 2.475 50 0 DEAARO COCC[NH+]1CCC(CN(C)c2nccc(C(C)C)n2)CC1 ZINC000091562843 193073652 /nfs/dbraw/zinc/07/36/52/193073652.db2.gz UUOQPLGLYKLJHF-UHFFFAOYSA-N 1 0 306.454 2.395 50 0 DEAARO C[C@@H]1C[N@H+](Cc2cccc(N3CCOCC3)c2)CC[C@]1(C)O ZINC000091487169 193062919 /nfs/dbraw/zinc/06/29/19/193062919.db2.gz AITBJVLCOXOJJU-QAPCUYQASA-N 1 0 304.434 2.116 50 0 DEAARO Cc1ccccc1OC1CN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000091849379 193118201 /nfs/dbraw/zinc/11/82/01/193118201.db2.gz DRIZUZZLINIRRS-UHFFFAOYSA-N 1 0 302.418 2.459 50 0 DEAARO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000092096431 193156008 /nfs/dbraw/zinc/15/60/08/193156008.db2.gz NFPTVGPCPFUSFP-JFIYKMOQSA-N 1 0 303.402 2.390 50 0 DEAARO COc1ccc(CN2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1F ZINC000092107859 193160665 /nfs/dbraw/zinc/16/06/65/193160665.db2.gz IWNQXHHOMJAAFQ-WBVHZDCISA-N 1 0 324.440 2.359 50 0 DEAARO CC(=O)c1cccc(C(=O)NCCCOC2CC[NH+](C)CC2)c1 ZINC000223390351 201642613 /nfs/dbraw/zinc/64/26/13/201642613.db2.gz ZAWKLBQFRAKWDE-UHFFFAOYSA-N 1 0 318.417 2.120 50 0 DEAARO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000093813670 193312395 /nfs/dbraw/zinc/31/23/95/193312395.db2.gz RYXPLIKSNUOPAE-QGZVFWFLSA-N 1 0 303.406 2.067 50 0 DEAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014733869 181967686 /nfs/dbraw/zinc/96/76/86/181967686.db2.gz KRLOFXRRWQQRPE-UHFFFAOYSA-N 1 0 315.417 2.324 50 0 DEAARO CC[NH+](CC)CCCNC(=O)[C@H]1COc2ccc(OC)cc2C1 ZINC000015786193 182017223 /nfs/dbraw/zinc/01/72/23/182017223.db2.gz LJAQWVNFYAFORI-OAHLLOKOSA-N 1 0 320.433 2.094 50 0 DEAARO O=C1C[C@@H]([NH2+]C2Cc3ccccc3C2)C(=O)N1c1ccccc1F ZINC000018088173 182092982 /nfs/dbraw/zinc/09/29/82/182092982.db2.gz DECVFVQOXSIRJF-MRXNPFEDSA-N 1 0 324.355 2.215 50 0 DEAARO Cc1n[nH]c(C)c1CCNC(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000019146112 182105902 /nfs/dbraw/zinc/10/59/02/182105902.db2.gz KGVGGEPLUHLWOV-ZDUSSCGKSA-N 1 0 318.446 2.485 50 0 DEAARO COc1ccc(OC)c(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019841446 182155589 /nfs/dbraw/zinc/15/55/89/182155589.db2.gz CTQFAGNULPMKDP-STQMWFEESA-N 1 0 322.405 2.142 50 0 DEAARO Cc1cc(CN2CC[N@@H+](C)[C@@H](CCO)C2)c2ccc(F)cc2n1 ZINC000019866857 182158551 /nfs/dbraw/zinc/15/85/51/182158551.db2.gz IIPCKVFBVNCXNX-INIZCTEOSA-N 1 0 317.408 2.181 50 0 DEAARO CC(C)Cc1noc(-c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)n1 ZINC000020540618 182228900 /nfs/dbraw/zinc/22/89/00/182228900.db2.gz ZYGTWDUOHVCTDP-CQSZACIVSA-N 1 0 315.421 2.470 50 0 DEAARO Cc1c2ccc3c(c2oc1C(=O)OCC[NH+](C)C)OCCO3 ZINC000022015694 182303892 /nfs/dbraw/zinc/30/38/92/182303892.db2.gz TXWZULZWWJBOTL-UHFFFAOYSA-N 1 0 305.330 2.231 50 0 DEAARO C[NH+]1CCN([C@@H](CNC(=O)C(C)(C)C)c2ccsc2)CC1 ZINC000022794259 182335410 /nfs/dbraw/zinc/33/54/10/182335410.db2.gz PNEDWXXSSOXBIV-AWEZNQCLSA-N 1 0 309.479 2.199 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]CCN(C)C ZINC000022921035 182341376 /nfs/dbraw/zinc/34/13/76/182341376.db2.gz VNGPPNKOGGGUCT-MRXNPFEDSA-N 1 0 308.466 2.183 50 0 DEAARO COc1ccccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000023624248 182364895 /nfs/dbraw/zinc/36/48/95/182364895.db2.gz VJBIBEPXACRITD-CQSZACIVSA-N 1 0 321.421 2.174 50 0 DEAARO COc1ccccc1CC(=O)NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040107566 183036146 /nfs/dbraw/zinc/03/61/46/183036146.db2.gz MZTMEGQZFUGFMJ-GASCZTMLSA-N 1 0 304.434 2.332 50 0 DEAARO O=C(NC1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1)C1CC1 ZINC000040120376 183037705 /nfs/dbraw/zinc/03/77/05/183037705.db2.gz QAPJFPNKPRMLAG-MRXNPFEDSA-N 1 0 322.836 2.364 50 0 DEAARO CN1CC[NH+](CCCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000041362652 183186432 /nfs/dbraw/zinc/18/64/32/183186432.db2.gz MTJHOGCWXWNRBH-UHFFFAOYSA-N 1 0 315.417 2.190 50 0 DEAARO COc1ccc(OC)c(C[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000042227391 183245067 /nfs/dbraw/zinc/24/50/67/183245067.db2.gz QPRKHZCIEZUOPH-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CCn1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000043645838 183377152 /nfs/dbraw/zinc/37/71/52/183377152.db2.gz HEMYNDCNSQSUJU-LBPRGKRZSA-N 1 0 307.423 2.389 50 0 DEAARO CCCOc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000106577526 194232231 /nfs/dbraw/zinc/23/22/31/194232231.db2.gz MUFBEPFNUIRUHM-RDJZCZTQSA-N 1 0 318.417 2.068 50 0 DEAARO COCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000110591958 194340578 /nfs/dbraw/zinc/34/05/78/194340578.db2.gz SJTSUSHOLRNMCO-HZPDHXFCSA-N 1 0 305.422 2.015 50 0 DEAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000056156989 184006225 /nfs/dbraw/zinc/00/62/25/184006225.db2.gz ZMALDYGMPLGECW-CHWSQXEVSA-N 1 0 321.421 2.359 50 0 DEAARO O=C(c1ccc(NC2CC2)nc1)N1CC[NH+](C2CCCC2)CC1 ZINC000057203426 184029447 /nfs/dbraw/zinc/02/94/47/184029447.db2.gz BUFOVLRJOVQZIZ-UHFFFAOYSA-N 1 0 314.433 2.356 50 0 DEAARO CC[NH+]1CCC(CNC(=O)c2cc(OC)ccc2OC)CC1 ZINC000057000356 184023863 /nfs/dbraw/zinc/02/38/63/184023863.db2.gz LNNSYKKIUHNETL-UHFFFAOYSA-N 1 0 306.406 2.166 50 0 DEAARO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058226022 184091058 /nfs/dbraw/zinc/09/10/58/184091058.db2.gz FASJUEKIHKSBFE-MRXNPFEDSA-N 1 0 315.417 2.337 50 0 DEAARO C[C@H](CNc1ccc2nncn2n1)[N@@H+]1CCc2sccc2C1 ZINC000058392610 184111925 /nfs/dbraw/zinc/11/19/25/184111925.db2.gz UJOIBAQHSCRFOC-LLVKDONJSA-N 1 0 314.418 2.045 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1cccs1 ZINC000058391845 184111308 /nfs/dbraw/zinc/11/13/08/184111308.db2.gz JZWAGLGMIDOLTI-ZDUSSCGKSA-N 1 0 320.462 2.477 50 0 DEAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2F)cc2c1OCO2 ZINC000058264068 184095339 /nfs/dbraw/zinc/09/53/39/184095339.db2.gz JBWQJZVCQLXREO-CQSZACIVSA-N 1 0 319.332 2.386 50 0 DEAARO O=C(Cc1noc2ccccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058323961 184105450 /nfs/dbraw/zinc/10/54/50/184105450.db2.gz WUGSSSLVXSJDAU-AWEZNQCLSA-N 1 0 313.401 2.457 50 0 DEAARO Cc1nc2c(c(N(C)CC[C@@H]3CCCCO3)n1)CC[N@H+](C)CC2 ZINC000065410799 184340347 /nfs/dbraw/zinc/34/03/47/184340347.db2.gz SMZCPAXRVHMCQD-HNNXBMFYSA-N 1 0 318.465 2.211 50 0 DEAARO CSc1nc(C(=O)N2CCC3(CC[N@H+](C)C3)CC2)cs1 ZINC000065461717 184349152 /nfs/dbraw/zinc/34/91/52/184349152.db2.gz XUQMZFAMNFOEPE-UHFFFAOYSA-N 1 0 311.476 2.423 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000065475124 184351785 /nfs/dbraw/zinc/35/17/85/184351785.db2.gz GXWUJAUUIVOLNK-AWEZNQCLSA-N 1 0 306.454 2.408 50 0 DEAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C2CCC2)C1 ZINC000065585623 184368917 /nfs/dbraw/zinc/36/89/17/184368917.db2.gz AYNGMIREKARFGT-HNNXBMFYSA-N 1 0 315.417 2.123 50 0 DEAARO COc1nc(C)cc(C)c1C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC000065507479 184356631 /nfs/dbraw/zinc/35/66/31/184356631.db2.gz IMLZUWAMDASDMP-ZDUSSCGKSA-N 1 0 319.449 2.445 50 0 DEAARO Cc1nc(CC[NH3+])cc(N2CCOc3ccc(Cl)cc3C2)n1 ZINC000067884855 184489996 /nfs/dbraw/zinc/48/99/96/184489996.db2.gz HUSDXPDUBUGJCY-UHFFFAOYSA-N 1 0 318.808 2.339 50 0 DEAARO O=C1[C@H]2CCCN2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000253630301 285007160 /nfs/dbraw/zinc/00/71/60/285007160.db2.gz YTENMDOURDYAOZ-MRXNPFEDSA-N 1 0 313.401 2.078 50 0 DEAARO O=C([C@H]1CCC[NH2+]C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000159289256 197343308 /nfs/dbraw/zinc/34/33/08/197343308.db2.gz BTGSHDMQSPXSAU-RDJZCZTQSA-N 1 0 320.408 2.097 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccccc2Br)C1 ZINC000158185641 197250948 /nfs/dbraw/zinc/25/09/48/197250948.db2.gz VZHJZZAVUOQIIO-GUOLPTJISA-N 1 0 309.207 2.412 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)Nc1nc(Cc2ccccc2)ns1 ZINC000157307970 197178102 /nfs/dbraw/zinc/17/81/02/197178102.db2.gz POQRXGLPUHGROX-NSHDSACASA-N 1 0 322.459 2.148 50 0 DEAARO O=[n+]1c2cc(N3CCCC3)c(F)cc2n(O)c2c1CCCC2 ZINC000104202524 285191678 /nfs/dbraw/zinc/19/16/78/285191678.db2.gz YCPUVPDRHUKHDS-UHFFFAOYSA-N 1 0 304.345 2.411 50 0 DEAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156380262 197108646 /nfs/dbraw/zinc/10/86/46/197108646.db2.gz ALLMINHCPQTKDB-MRXNPFEDSA-N 1 0 322.449 2.053 50 0 DEAARO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1(C)C ZINC000120721566 195223602 /nfs/dbraw/zinc/22/36/02/195223602.db2.gz VFUJJEPNCCIBBL-HUUCEWRRSA-N 1 0 315.417 2.330 50 0 DEAARO CCc1nn(C)c(Cl)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000120830031 195247085 /nfs/dbraw/zinc/24/70/85/195247085.db2.gz JKCXTSMYVQZHCQ-UHFFFAOYSA-N 1 0 319.840 2.353 50 0 DEAARO NC(=O)[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000026160455 257211175 /nfs/dbraw/zinc/21/11/75/257211175.db2.gz LXOGFOCLZLMTMC-IBGZPJMESA-N 1 0 323.440 2.467 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)s1 ZINC000237396533 257239247 /nfs/dbraw/zinc/23/92/47/257239247.db2.gz SYXIMZAWWGZUDC-RKDXNWHRSA-N 1 0 317.252 2.391 50 0 DEAARO COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000237105189 257239693 /nfs/dbraw/zinc/23/96/93/257239693.db2.gz JHIUTVGWOVEUHC-KGLIPLIRSA-N 1 0 306.406 2.111 50 0 DEAARO COC(CC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)OC ZINC000521396496 257240333 /nfs/dbraw/zinc/24/03/33/257240333.db2.gz JOUYDUPZRLCOEB-INIZCTEOSA-N 1 0 316.442 2.278 50 0 DEAARO C[C@@H](O)CCC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000408519770 533588299 /nfs/dbraw/zinc/58/82/99/533588299.db2.gz ZWOMFTYLLKAIFE-HZPDHXFCSA-N 1 0 319.449 2.296 50 0 DEAARO C[C@@]1(C(=O)N2CCC(Cc3cccnc3)CC2)CCC[NH2+]C1 ZINC000353740093 132997407 /nfs/dbraw/zinc/99/74/07/132997407.db2.gz BMENYJHIAWPXSW-GOSISDBHSA-N 1 0 301.434 2.252 50 0 DEAARO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[C@H]1CCCO1 ZINC000346834220 146150511 /nfs/dbraw/zinc/15/05/11/146150511.db2.gz NWZAAPWDUKKEPO-RRQGHBQHSA-N 1 0 317.433 2.116 50 0 DEAARO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[C@@H]1CCCO1 ZINC000346834218 146150524 /nfs/dbraw/zinc/15/05/24/146150524.db2.gz NWZAAPWDUKKEPO-JQFCIGGWSA-N 1 0 317.433 2.116 50 0 DEAARO COc1cc(C)sc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000075093074 401749417 /nfs/dbraw/zinc/74/94/17/401749417.db2.gz SIYWSEBBIKNOLG-CQSZACIVSA-N 1 0 314.476 2.232 50 0 DEAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2 ZINC000000073944 401687788 /nfs/dbraw/zinc/68/77/88/401687788.db2.gz JDYCICJALHBSHQ-CYBMUJFWSA-N 1 0 305.374 2.489 50 0 DEAARO COc1ccccc1OCc1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000000115387 401688312 /nfs/dbraw/zinc/68/83/12/401688312.db2.gz MBOFDOGZVSMUEC-UHFFFAOYSA-N 1 0 318.373 2.159 50 0 DEAARO COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000071880881 401691489 /nfs/dbraw/zinc/69/14/89/401691489.db2.gz RYHIGOZLZOBPPS-OAHLLOKOSA-N 1 0 310.825 2.301 50 0 DEAARO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3cnc(C)s3)C2)no1 ZINC000071882272 401691825 /nfs/dbraw/zinc/69/18/25/401691825.db2.gz KWJQRYVAVFIHKM-GFCCVEGCSA-N 1 0 321.450 2.151 50 0 DEAARO CC[C@@H](O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000000238695 401691875 /nfs/dbraw/zinc/69/18/75/401691875.db2.gz WGYOXLHUEHBVOF-JKSUJKDBSA-N 1 0 323.433 2.364 50 0 biogenic DEAARO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071914928 401696793 /nfs/dbraw/zinc/69/67/93/401696793.db2.gz QBXPOMIWPRXXHL-HOCLYGCPSA-N 1 0 320.408 2.252 50 0 DEAARO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071914930 401697037 /nfs/dbraw/zinc/69/70/37/401697037.db2.gz QBXPOMIWPRXXHL-GOEBONIOSA-N 1 0 320.408 2.252 50 0 DEAARO COc1ccc(Br)cc1CSCCNC(N)=[NH2+] ZINC000001778192 401710585 /nfs/dbraw/zinc/71/05/85/401710585.db2.gz BIGXYODKVALNGT-UHFFFAOYSA-N 1 0 318.240 2.174 50 0 DEAARO COc1cc(OC)c(OC)cc1CN(C)C1CC[NH+](C)CC1 ZINC000002490779 401714283 /nfs/dbraw/zinc/71/42/83/401714283.db2.gz CRPUMQKKMSZDFB-UHFFFAOYSA-N 1 0 308.422 2.238 50 0 DEAARO CCC[NH+]1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000013324252 401798784 /nfs/dbraw/zinc/79/87/84/401798784.db2.gz FQPWQBKBIBFVNZ-UHFFFAOYSA-N 1 0 307.394 2.263 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2c(C)noc2C)[NH+](C)C)cc1 ZINC000014119341 401806829 /nfs/dbraw/zinc/80/68/29/401806829.db2.gz NSCXPRTVFKEJLV-OAHLLOKOSA-N 1 0 317.389 2.333 50 0 DEAARO Cc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(=O)[nH]1 ZINC000075124139 401750249 /nfs/dbraw/zinc/75/02/49/401750249.db2.gz CBNMTSPKHMYBJB-ZNMIVQPWSA-N 1 0 317.433 2.161 50 0 DEAARO C[C@@H](OCC1CC1)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000075136772 401751564 /nfs/dbraw/zinc/75/15/64/401751564.db2.gz HAIKVMVYNHNMAI-CQSZACIVSA-N 1 0 320.433 2.405 50 0 DEAARO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000075145899 401752198 /nfs/dbraw/zinc/75/21/98/401752198.db2.gz TXPLWKQCDNULCM-UMVBOHGHSA-N 1 0 308.447 2.173 50 0 DEAARO CC[C@@H](c1nnc(SCC[NH3+])n1Cc1ccccc1)N(C)C ZINC000008428544 401752927 /nfs/dbraw/zinc/75/29/27/401752927.db2.gz NVJILNXJONFRJX-AWEZNQCLSA-N 1 0 319.478 2.390 50 0 DEAARO O=C(CC[NH+]1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008946145 401757889 /nfs/dbraw/zinc/75/78/89/401757889.db2.gz PVXCWUSIRCSKBS-UHFFFAOYSA-N 1 0 319.449 2.267 50 0 DEAARO COc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccn1 ZINC000077299533 401809602 /nfs/dbraw/zinc/80/96/02/401809602.db2.gz PKAVBUQEFNKTAU-UHFFFAOYSA-N 1 0 303.406 2.181 50 0 DEAARO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000010539129 401770941 /nfs/dbraw/zinc/77/09/41/401770941.db2.gz DSKVGXIFCAGNSU-KRWDZBQOSA-N 1 0 320.433 2.455 50 0 DEAARO Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(CC3CCC3)C2=O)o1 ZINC000011843459 401776569 /nfs/dbraw/zinc/77/65/69/401776569.db2.gz XLHFKLJIRCLGBB-SFHVURJKSA-N 1 0 320.433 2.173 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000011952037 401778246 /nfs/dbraw/zinc/77/82/46/401778246.db2.gz IHNLXACJZYEYCI-AWEZNQCLSA-N 1 0 316.380 2.383 50 0 DEAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](CCO)CC1 ZINC000012298628 401782331 /nfs/dbraw/zinc/78/23/31/401782331.db2.gz SBVZSOLXRIZFBT-UHFFFAOYSA-N 1 0 309.381 2.006 50 0 DEAARO c1ccc(N2CCN(c3ncccc3C[NH2+]C3CCC3)CC2)nc1 ZINC000012302928 401783128 /nfs/dbraw/zinc/78/31/28/401783128.db2.gz WQJHICXSQGHVMZ-UHFFFAOYSA-N 1 0 323.444 2.445 50 0 DEAARO Cc1ccc(C)c(-n2ncc3c2ncnc3N2CC[NH+](C)CC2)c1 ZINC000015880894 401818674 /nfs/dbraw/zinc/81/86/74/401818674.db2.gz CCBSKWKAHRRBKK-UHFFFAOYSA-N 1 0 322.416 2.184 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3N)cc2)CC1 ZINC000020192974 401823687 /nfs/dbraw/zinc/82/36/87/401823687.db2.gz WOCCBORDJRHXML-UHFFFAOYSA-N 1 0 310.401 2.273 50 0 DEAARO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020169447 401823979 /nfs/dbraw/zinc/82/39/79/401823979.db2.gz YZPCZEAVKVKKSW-OAHLLOKOSA-N 1 0 304.434 2.358 50 0 DEAARO CCc1nnsc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025332180 401833354 /nfs/dbraw/zinc/83/33/54/401833354.db2.gz RTTYDWMTTCFTBG-NSHDSACASA-N 1 0 310.448 2.195 50 0 DEAARO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2ccccc2)CC1 ZINC000078552537 401855615 /nfs/dbraw/zinc/85/56/15/401855615.db2.gz YOMWGNHRHJVCNZ-UHFFFAOYSA-N 1 0 324.428 2.073 50 0 DEAARO CNC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029634790 401857523 /nfs/dbraw/zinc/85/75/23/401857523.db2.gz RRMZBVRTVSUXII-UHFFFAOYSA-N 1 0 323.440 2.140 50 0 DEAARO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](C1CCCC1)CC2 ZINC000014532950 401812202 /nfs/dbraw/zinc/81/22/02/401812202.db2.gz NHXNHXFNKPEYCV-UHFFFAOYSA-N 1 0 307.438 2.314 50 0 DEAARO O=C(c1cccc(F)c1F)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077408174 401814795 /nfs/dbraw/zinc/81/47/95/401814795.db2.gz VBJDQZWCSCFNPK-KRWDZBQOSA-N 1 0 324.371 2.028 50 0 DEAARO O=C(NC[C@H]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132820428 401874492 /nfs/dbraw/zinc/87/44/92/401874492.db2.gz NDKZHQOXOOTAFH-HOTGVXAUSA-N 1 0 321.465 2.143 50 0 DEAARO CC(C)C[C@@H](CNc1ncnc2c1cnn2C)[NH+]1CCCC1 ZINC000032760671 401882622 /nfs/dbraw/zinc/88/26/22/401882622.db2.gz BFBZEURDMHSGPU-ZDUSSCGKSA-N 1 0 302.426 2.286 50 0 DEAARO COc1ccc([C@@H](CNC(=O)Nc2cc(C)on2)[NH+](C)C)cc1 ZINC000032841332 401884458 /nfs/dbraw/zinc/88/44/58/401884458.db2.gz NTVFRZDOORZTSM-CQSZACIVSA-N 1 0 318.377 2.416 50 0 DEAARO CC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000036828162 401907646 /nfs/dbraw/zinc/90/76/46/401907646.db2.gz NFNWKYKYXQSYMR-GFCCVEGCSA-N 1 0 302.465 2.213 50 0 DEAARO O=C(c1cccc2ccccc21)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436642 401916313 /nfs/dbraw/zinc/91/63/13/401916313.db2.gz UWORKXQVFMKCIQ-LJQANCHMSA-N 1 0 324.424 2.369 50 0 DEAARO CC(C)(CO)CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000086406743 401923086 /nfs/dbraw/zinc/92/30/86/401923086.db2.gz JSSVSXWPDBRTHT-UHFFFAOYSA-N 1 0 311.470 2.055 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCC(O)CC1 ZINC000044947065 401951850 /nfs/dbraw/zinc/95/18/50/401951850.db2.gz JZFIQNMIMSDGSQ-YMAMQOFZSA-N 1 0 321.421 2.019 50 0 DEAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]C[C@H]1CCCO1 ZINC000044973795 401952286 /nfs/dbraw/zinc/95/22/86/401952286.db2.gz DBZBRCBRGYHTTK-CYBMUJFWSA-N 1 0 301.346 2.074 50 0 DEAARO CCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)n1 ZINC000089290039 401941071 /nfs/dbraw/zinc/94/10/71/401941071.db2.gz WKAROOSKCVSYKE-SGMGOOAPSA-N 1 0 320.437 2.320 50 0 DEAARO CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 ZINC000089314255 401942228 /nfs/dbraw/zinc/94/22/28/401942228.db2.gz ZHAXOPFNCKLCIM-YJBOKZPZSA-N 1 0 301.434 2.094 50 0 DEAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCC(Cn3ccnc3)CC2)C1 ZINC000095352147 402026578 /nfs/dbraw/zinc/02/65/78/402026578.db2.gz XQODBMQKDMJXBM-INIZCTEOSA-N 1 0 318.465 2.244 50 0 DEAARO CCc1cnc(NCC2([NH+]3CCN(C)CC3)CCCC2)nc1 ZINC000095355484 402026910 /nfs/dbraw/zinc/02/69/10/402026910.db2.gz LSNZJCGLBZMXNI-UHFFFAOYSA-N 1 0 303.454 2.011 50 0 DEAARO CCc1nc(N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)no1 ZINC000095369048 402028891 /nfs/dbraw/zinc/02/88/91/402028891.db2.gz SYKLOICRBZORHF-LSDHHAIUSA-N 1 0 316.405 2.175 50 0 DEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC2(CCO2)CC1 ZINC000095374645 402029592 /nfs/dbraw/zinc/02/95/92/402029592.db2.gz NUNGPHNZTVDHMC-UHFFFAOYSA-N 1 0 318.417 2.273 50 0 DEAARO Cc1ccc([C@@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000095388326 402032113 /nfs/dbraw/zinc/03/21/13/402032113.db2.gz HPZFJXVMCZTCRZ-INIZCTEOSA-N 1 0 305.466 2.302 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-n2cccc2)n1 ZINC000095476688 402033831 /nfs/dbraw/zinc/03/38/31/402033831.db2.gz CPZCCNNSUMLHMO-CQSZACIVSA-N 1 0 318.446 2.077 50 0 DEAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)nc12 ZINC000095946097 402035559 /nfs/dbraw/zinc/03/55/59/402035559.db2.gz KVPKGQJJEQEUHD-CQSZACIVSA-N 1 0 315.417 2.439 50 0 DEAARO FC(F)(F)CN1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000095946159 402035830 /nfs/dbraw/zinc/03/58/30/402035830.db2.gz AVGVLVQLORCVSR-UHFFFAOYSA-N 1 0 307.404 2.432 50 0 DEAARO CCN1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000095961381 402037289 /nfs/dbraw/zinc/03/72/89/402037289.db2.gz BOWJXROLOFFCNV-HNNXBMFYSA-N 1 0 311.470 2.271 50 0 DEAARO C[C@H](CCn1cncn1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095968046 402038499 /nfs/dbraw/zinc/03/84/99/402038499.db2.gz OPDDOCKJICJAAH-ZIAGYGMSSA-N 1 0 323.441 2.046 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)CC2 ZINC000095973558 402039721 /nfs/dbraw/zinc/03/97/21/402039721.db2.gz TULISZRAKPLOIQ-WMZOPIPTSA-N 1 0 310.397 2.369 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000052486088 402042884 /nfs/dbraw/zinc/04/28/84/402042884.db2.gz MUBAJJBUANVHQZ-AWEZNQCLSA-N 1 0 314.368 2.217 50 0 DEAARO O=C(C[NH2+]C1(c2cccc(Cl)c2)CCCC1)N1CCNC1=O ZINC000095985910 402042869 /nfs/dbraw/zinc/04/28/69/402042869.db2.gz KACNNTMZEUDHKU-UHFFFAOYSA-N 1 0 321.808 2.251 50 0 DEAARO Cc1ccc(NC2CC[NH+](CCN3CCOCC3)CC2)cc1F ZINC000095990512 402043639 /nfs/dbraw/zinc/04/36/39/402043639.db2.gz KMWLCPDFGVYYKV-UHFFFAOYSA-N 1 0 321.440 2.343 50 0 DEAARO Cc1c(NC(=O)N2CCC[N@H+](C)CC2)cnn1CCC(C)C ZINC000096000107 402045298 /nfs/dbraw/zinc/04/52/98/402045298.db2.gz FQGZYAFQULJMLQ-UHFFFAOYSA-N 1 0 307.442 2.407 50 0 DEAARO Cn1cc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000048784527 402007983 /nfs/dbraw/zinc/00/79/83/402007983.db2.gz PEUNIKKYJDZZOP-UHFFFAOYSA-N 1 0 307.781 2.177 50 0 DEAARO C[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H](C)[NH2+]1 ZINC000122438136 402078382 /nfs/dbraw/zinc/07/83/82/402078382.db2.gz JGCGJVGKKNUWNF-IUCAKERBSA-N 1 0 315.186 2.411 50 0 DEAARO C[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[NH2+]1 ZINC000122441100 402078554 /nfs/dbraw/zinc/07/85/54/402078554.db2.gz JWUIYIBTWDSOJP-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO CSc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000096419966 402082094 /nfs/dbraw/zinc/08/20/94/402082094.db2.gz ZQICYUSJUZQOTG-LBPRGKRZSA-N 1 0 308.447 2.386 50 0 DEAARO CC/C(=C/C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1 ZINC000096423700 402083128 /nfs/dbraw/zinc/08/31/28/402083128.db2.gz QTEXULQPKWLZIW-XSVZSIDJSA-N 1 0 315.461 2.150 50 0 DEAARO O=C(C[N@H+]1CCC[C@H]1CCCO)NC1(c2ccccc2)CCC1 ZINC000096424252 402083366 /nfs/dbraw/zinc/08/33/66/402083366.db2.gz FBOKSFODYIRDMA-KRWDZBQOSA-N 1 0 316.445 2.419 50 0 DEAARO C[C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC000096436250 402086669 /nfs/dbraw/zinc/08/66/69/402086669.db2.gz ALYVNWIHNAWRDD-XJKSGUPXSA-N 1 0 308.397 2.240 50 0 DEAARO C[C@H](C(=O)NC[C@@H](O)c1cccc(F)c1)[NH+]1CCCCCC1 ZINC000096436251 402086868 /nfs/dbraw/zinc/08/68/68/402086868.db2.gz ALYVNWIHNAWRDD-CZUORRHYSA-N 1 0 308.397 2.240 50 0 DEAARO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC000096447094 402089264 /nfs/dbraw/zinc/08/92/64/402089264.db2.gz AZDBPINFJWKUPF-RYUDHWBXSA-N 1 0 323.824 2.316 50 0 DEAARO C[C@@H](Cc1nc2ccccc2s1)[NH2+][C@@H](C)Cn1cncn1 ZINC000096476758 402093646 /nfs/dbraw/zinc/09/36/46/402093646.db2.gz BJZUJFNVFBGQSE-RYUDHWBXSA-N 1 0 301.419 2.497 50 0 DEAARO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000096491540 402096049 /nfs/dbraw/zinc/09/60/49/402096049.db2.gz AOOWBQVPTNZYTQ-CYBMUJFWSA-N 1 0 308.447 2.308 50 0 DEAARO COc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000057884168 402097253 /nfs/dbraw/zinc/09/72/53/402097253.db2.gz ZAEVNSBCDNNFIB-OAHLLOKOSA-N 1 0 308.397 2.131 50 0 DEAARO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH3+])C3)c21 ZINC000097019996 402100249 /nfs/dbraw/zinc/10/02/49/402100249.db2.gz WHNGPHUVYXYDSS-NSHDSACASA-N 1 0 314.389 2.397 50 0 DEAARO CC(C)Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(=O)[nH]1 ZINC000097045175 402101810 /nfs/dbraw/zinc/10/18/10/402101810.db2.gz BKTHABGTNZLDKY-BBRMVZONSA-N 1 0 319.449 2.128 50 0 DEAARO CC(C)C(=O)Nc1ccc(NC(=O)N2CC([NH+](C)C)C2)cc1 ZINC000097049394 402103115 /nfs/dbraw/zinc/10/31/15/402103115.db2.gz UZIMOVKZSVTPCS-UHFFFAOYSA-N 1 0 304.394 2.059 50 0 DEAARO CCn1nccc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000097054904 402103490 /nfs/dbraw/zinc/10/34/90/402103490.db2.gz WBJQFQPOKSTQDP-MAUKXSAKSA-N 1 0 312.417 2.212 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000097082193 402104867 /nfs/dbraw/zinc/10/48/67/402104867.db2.gz QUGICRZCUIDFIP-GOSISDBHSA-N 1 0 316.445 2.450 50 0 DEAARO CCCCOc1ccccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000097095400 402106712 /nfs/dbraw/zinc/10/67/12/402106712.db2.gz NQMROQVZDYERKD-UHFFFAOYSA-N 1 0 305.422 2.452 50 0 DEAARO Cc1nccn1-c1cncc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000097104566 402107826 /nfs/dbraw/zinc/10/78/26/402107826.db2.gz IRJISIMIUFKAQC-ZDUSSCGKSA-N 1 0 300.410 2.115 50 0 DEAARO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H](O)C2)c1 ZINC000097109635 402108512 /nfs/dbraw/zinc/10/85/12/402108512.db2.gz KOMVZBMAGYHRJW-GZBFAFLISA-N 1 0 313.825 2.091 50 0 DEAARO Cc1n[nH]cc1C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000097159174 402112421 /nfs/dbraw/zinc/11/24/21/402112421.db2.gz URJDMKZLBXMNSX-SFHVURJKSA-N 1 0 314.433 2.190 50 0 DEAARO CCCOc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1OC ZINC000097162406 402112523 /nfs/dbraw/zinc/11/25/23/402112523.db2.gz ALXHAVWHNKDBLR-OAHLLOKOSA-N 1 0 308.422 2.474 50 0 DEAARO CC(C)[NH+]1CCC(NCc2cn(C)nc2-c2ccncc2)CC1 ZINC000097159772 402112911 /nfs/dbraw/zinc/11/29/11/402112911.db2.gz QEJBYYSYWIHAHU-UHFFFAOYSA-N 1 0 313.449 2.445 50 0 DEAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000097199381 402115352 /nfs/dbraw/zinc/11/53/52/402115352.db2.gz WMKFBOACPFABRF-NSHDSACASA-N 1 0 305.451 2.445 50 0 DEAARO Cc1c(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2=O)cnn1C ZINC000097229827 402118880 /nfs/dbraw/zinc/11/88/80/402118880.db2.gz TYPVFMWWXSVBMU-INIZCTEOSA-N 1 0 316.380 2.153 50 0 DEAARO CC(C)C[NH+]1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 ZINC000054056464 402061958 /nfs/dbraw/zinc/06/19/58/402061958.db2.gz MWHOVAHDRGUIBA-UHFFFAOYSA-N 1 0 310.829 2.366 50 0 DEAARO Cc1nn(C)c2nc(N[C@H]3COC[C@@H]3[NH+]3CCCCC3)sc12 ZINC000096149525 402062729 /nfs/dbraw/zinc/06/27/29/402062729.db2.gz WZYRGYXENUEXFS-RYUDHWBXSA-N 1 0 321.450 2.003 50 0 DEAARO Cc1ccc(NC(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)cc1F ZINC000096162791 402064002 /nfs/dbraw/zinc/06/40/02/402064002.db2.gz KFOYMHFNLNGAJD-QGZVFWFLSA-N 1 0 323.412 2.302 50 0 DEAARO C[NH+]1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000054460091 402067996 /nfs/dbraw/zinc/06/79/96/402067996.db2.gz FUQFVRAZNPBLLF-UHFFFAOYSA-N 1 0 315.417 2.028 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCCO3)CC2)o1 ZINC000097447062 402125819 /nfs/dbraw/zinc/12/58/19/402125819.db2.gz IGIUGYKVANLJFN-KRWDZBQOSA-N 1 0 320.433 2.485 50 0 DEAARO O[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000097759268 402132736 /nfs/dbraw/zinc/13/27/36/402132736.db2.gz HPUWQAWZFKZAFV-GJZGRUSLSA-N 1 0 314.351 2.346 50 0 DEAARO CC(C)n1ncc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1C(F)(F)F ZINC000153291921 402137662 /nfs/dbraw/zinc/13/76/62/402137662.db2.gz MBPZWHWXJUZNPD-UWVGGRQHSA-N 1 0 318.343 2.305 50 0 DEAARO C[C@@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@H](C)[NH2+]1 ZINC000153433084 402145262 /nfs/dbraw/zinc/14/52/62/402145262.db2.gz ZOSZSWMZYOBDKI-PHIMTYICSA-N 1 0 302.403 2.028 50 0 DEAARO Cc1cccc2nc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cn21 ZINC000066948790 402147392 /nfs/dbraw/zinc/14/73/92/402147392.db2.gz BAJKSWLJKRRYTG-CQSZACIVSA-N 1 0 300.406 2.199 50 0 DEAARO Cc1ccc([C@H](CNC(=O)[C@H](C)n2ccnc2)[NH+](C)C)cc1 ZINC000067266998 402155623 /nfs/dbraw/zinc/15/56/23/402155623.db2.gz QPVVNSMHCSKXLX-HOCLYGCPSA-N 1 0 300.406 2.172 50 0 DEAARO COCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067357192 402157178 /nfs/dbraw/zinc/15/71/78/402157178.db2.gz DHAYVNONCJMVQU-UHFFFAOYSA-N 1 0 319.449 2.186 50 0 DEAARO C[N@@H+]1CCCC2(CCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000067934780 402179017 /nfs/dbraw/zinc/17/90/17/402179017.db2.gz NXCGQVJCVWSLGT-UHFFFAOYSA-N 1 0 301.434 2.349 50 0 DEAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cnn1-c1ccccc1Cl ZINC000124471589 402181243 /nfs/dbraw/zinc/18/12/43/402181243.db2.gz QHLFCXQMYWOAKX-LLVKDONJSA-N 1 0 318.808 2.268 50 0 DEAARO CC(C)=CC(=O)NC[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000067974936 402181758 /nfs/dbraw/zinc/18/17/58/402181758.db2.gz WSQRONDAFQDINW-ZDUSSCGKSA-N 1 0 324.856 2.286 50 0 DEAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1[nH]ncc1Cl ZINC000067446842 402159662 /nfs/dbraw/zinc/15/96/62/402159662.db2.gz YUIDDCAYXVVVKK-NSHDSACASA-N 1 0 322.796 2.298 50 0 DEAARO CCNc1nc(NCCNC(=O)c2ccccc2F)cc(C)[nH+]1 ZINC000067613005 402165563 /nfs/dbraw/zinc/16/55/63/402165563.db2.gz JKHIMJJOTYSUIE-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO C[NH+]1CCC2(CC1)CCCN(C(=O)C(=O)c1ccco1)CC2 ZINC000067654991 402166653 /nfs/dbraw/zinc/16/66/53/402166653.db2.gz NGKVJXDAXUBSJQ-UHFFFAOYSA-N 1 0 304.390 2.187 50 0 DEAARO CCC(F)(F)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000067674859 402167240 /nfs/dbraw/zinc/16/72/40/402167240.db2.gz WRLHZDXTLCYTQM-ZDUSSCGKSA-N 1 0 311.376 2.373 50 0 DEAARO CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(C3CCCCC3)nn2)C[NH2+]1 ZINC000067674128 402167334 /nfs/dbraw/zinc/16/73/34/402167334.db2.gz GZDJLRDPHOIFSG-GJZGRUSLSA-N 1 0 319.453 2.097 50 0 DEAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC000102539045 402168223 /nfs/dbraw/zinc/16/82/23/402168223.db2.gz MRGMDLUNYUFVEB-INIZCTEOSA-N 1 0 316.445 2.360 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067713817 402170050 /nfs/dbraw/zinc/17/00/50/402170050.db2.gz OPBIPKJGXJQJIU-AWEZNQCLSA-N 1 0 304.438 2.369 50 0 DEAARO C[C@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153784037 402170695 /nfs/dbraw/zinc/17/06/95/402170695.db2.gz YUGCXBRNISRRMN-QWRGUYRKSA-N 1 0 314.788 2.457 50 0 DEAARO CSc1ccc2cc(C[N@@H+]3CCC[C@H](CO)C3)c(=O)[nH]c2c1 ZINC000067754885 402171252 /nfs/dbraw/zinc/17/12/52/402171252.db2.gz CMLMRJCMMMGRBJ-LBPRGKRZSA-N 1 0 318.442 2.454 50 0 DEAARO C[C@H]1CCCN(CC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000067742015 402171286 /nfs/dbraw/zinc/17/12/86/402171286.db2.gz ADOHUCLODDMIAB-KRWDZBQOSA-N 1 0 316.493 2.368 50 0 DEAARO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c2cnn(C(C)C)c2n1 ZINC000067742455 402171327 /nfs/dbraw/zinc/17/13/27/402171327.db2.gz BYIQIZQUCPHFRL-CYBMUJFWSA-N 1 0 315.421 2.002 50 0 DEAARO C[NH+]1CCC(Cc2noc([C@@H](O)Cc3ccccc3)n2)CC1 ZINC000067804709 402173303 /nfs/dbraw/zinc/17/33/03/402173303.db2.gz OKTUKVZOFYAAHZ-HNNXBMFYSA-N 1 0 301.390 2.230 50 0 DEAARO Cc1nc(CC[NH3+])cc(NCc2ccccc2-n2cccn2)n1 ZINC000067855424 402175619 /nfs/dbraw/zinc/17/56/19/402175619.db2.gz FXFINNZIDVQOJL-UHFFFAOYSA-N 1 0 308.389 2.084 50 0 DEAARO COCc1cc(CNc2cc(C)[nH+]c(N3CCCCC3)n2)[nH]n1 ZINC000067872682 402177122 /nfs/dbraw/zinc/17/71/22/402177122.db2.gz CILYIUAYBAOSPC-UHFFFAOYSA-N 1 0 316.409 2.257 50 0 DEAARO C[C@@H]1CN(C(=O)Cc2ccccc2Br)C[C@@H](C)[NH2+]1 ZINC000153886027 402177499 /nfs/dbraw/zinc/17/74/99/402177499.db2.gz BBYTVPWYYSCRCG-GHMZBOCLSA-N 1 0 311.223 2.200 50 0 DEAARO COc1ccc2[nH]c(=O)c(CN(C)CC[NH+]3CCCC3)cc2c1 ZINC000067907929 402177947 /nfs/dbraw/zinc/17/79/47/402177947.db2.gz PAQWOYOWQOQRAS-UHFFFAOYSA-N 1 0 315.417 2.064 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)Cc1ccccc1OC(C)C ZINC000069417441 402222502 /nfs/dbraw/zinc/22/25/02/402222502.db2.gz BFQHNBLZRQGGTJ-UHFFFAOYSA-N 1 0 322.449 2.101 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000069490840 402226442 /nfs/dbraw/zinc/22/64/42/402226442.db2.gz CVHBREBOXANRNP-CVEARBPZSA-N 1 0 313.401 2.456 50 0 DEAARO Cc1noc(C)c1C[NH2+]C[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000069588747 402232976 /nfs/dbraw/zinc/23/29/76/402232976.db2.gz APMMNKBXSDOIBW-CYBMUJFWSA-N 1 0 303.410 2.359 50 0 DEAARO CC(C)[C@@](O)(C[NH+]1CCC(CC(N)=O)CC1)c1ccccc1 ZINC000069654318 402236593 /nfs/dbraw/zinc/23/65/93/402236593.db2.gz WZQSHNRKXUOPMV-SFHVURJKSA-N 1 0 304.434 2.118 50 0 DEAARO Cc1sc2nc(C)nc(N3CCO[C@H](C[NH+](C)C)C3)c2c1C ZINC000069665567 402237513 /nfs/dbraw/zinc/23/75/13/402237513.db2.gz NKOQUZSCBOKUGR-CYBMUJFWSA-N 1 0 320.462 2.383 50 0 DEAARO CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000069737028 402241156 /nfs/dbraw/zinc/24/11/56/402241156.db2.gz FZPDCGNTAIBPPE-OAHLLOKOSA-N 1 0 307.369 2.102 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)COc2ccccc2OC)CC1 ZINC000069779454 402243560 /nfs/dbraw/zinc/24/35/60/402243560.db2.gz BBCBQVIOBSUOJF-UHFFFAOYSA-N 1 0 306.406 2.018 50 0 DEAARO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000069815196 402246031 /nfs/dbraw/zinc/24/60/31/402246031.db2.gz BAGOMSBZKFSCKC-FUHWJXTLSA-N 1 0 314.433 2.341 50 0 DEAARO CC[C@@H]1CN(CCOc2ccccc2F)CC[N@@H+]1CCOC ZINC000069849539 402247493 /nfs/dbraw/zinc/24/74/93/402247493.db2.gz LHSSAOPNAZCXSD-OAHLLOKOSA-N 1 0 310.413 2.247 50 0 DEAARO CCN1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000108179815 402248156 /nfs/dbraw/zinc/24/81/56/402248156.db2.gz DSJSNJOHAOUPTL-CABCVRRESA-N 1 0 319.449 2.486 50 0 DEAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cccc3c1OCO3)CC2 ZINC000069898450 402249946 /nfs/dbraw/zinc/24/99/46/402249946.db2.gz VQAFQFHLNKECON-ZDUSSCGKSA-N 1 0 314.389 2.235 50 0 DEAARO COc1cccc(-c2n[nH]cc2C[NH2+]CCn2cc(C)cn2)c1 ZINC000069917883 402250309 /nfs/dbraw/zinc/25/03/09/402250309.db2.gz CCGPJESMARCJGI-UHFFFAOYSA-N 1 0 311.389 2.380 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000069951048 402252678 /nfs/dbraw/zinc/25/26/78/402252678.db2.gz KOGONACNTSRXAR-IRXDYDNUSA-N 1 0 312.417 2.310 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000070173595 402258260 /nfs/dbraw/zinc/25/82/60/402258260.db2.gz PHWIAOYUBOJFAN-NEPJUHHUSA-N 1 0 316.854 2.396 50 0 DEAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C(C)C)CN1Cc1cccc(Cl)c1 ZINC000211047060 402278625 /nfs/dbraw/zinc/27/86/25/402278625.db2.gz DLMQEGAKHUPUHC-HOTGVXAUSA-N 1 0 323.868 2.417 50 0 DEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnsn3)CC2)cc1 ZINC000071819794 402281673 /nfs/dbraw/zinc/28/16/73/402281673.db2.gz NJVPQIPZYHCAGU-UHFFFAOYSA-N 1 0 316.430 2.195 50 0 DEAARO CC[N@H+](CCn1cccn1)Cc1cnc(N2CCCCC2)nc1 ZINC000215319204 402282249 /nfs/dbraw/zinc/28/22/49/402282249.db2.gz LRUVDPNBYDQLLJ-UHFFFAOYSA-N 1 0 314.437 2.186 50 0 DEAARO O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000215329649 402282335 /nfs/dbraw/zinc/28/23/35/402282335.db2.gz AOQHQIHIBJEGIE-KRWDZBQOSA-N 1 0 320.408 2.475 50 0 DEAARO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CCCCO1 ZINC000071821817 402282344 /nfs/dbraw/zinc/28/23/44/402282344.db2.gz WIPRIHHQUHBYBW-CQSZACIVSA-N 1 0 321.808 2.349 50 0 DEAARO COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000071825267 402283396 /nfs/dbraw/zinc/28/33/96/402283396.db2.gz JJYNMECYIZQSAY-OAHLLOKOSA-N 1 0 300.406 2.269 50 0 DEAARO Cc1cc(C(=O)N2CC[NH+](CC3(O)CCCCC3)CC2)c(C)o1 ZINC000071825116 402283446 /nfs/dbraw/zinc/28/34/46/402283446.db2.gz DXAHBKFSVZGAQC-UHFFFAOYSA-N 1 0 320.433 2.349 50 0 DEAARO Cc1cc(C)n(CC[N@@H+](C)CCn2c3ccccc3oc2=O)n1 ZINC000215588312 402284240 /nfs/dbraw/zinc/28/42/40/402284240.db2.gz YRDCYPGQBMDGTA-UHFFFAOYSA-N 1 0 314.389 2.040 50 0 DEAARO CN(Cc1cnn(-c2cccc(Cl)c2)c1)C[C@@H]1COCCO1 ZINC000215659983 402284280 /nfs/dbraw/zinc/28/42/80/402284280.db2.gz OSMCRHYPPFVHDO-MRXNPFEDSA-N 1 0 321.808 2.373 50 0 DEAARO COc1cc(C[NH2+]C[C@@H](O)c2cccc(F)c2)cc2c1OCO2 ZINC000071832871 402285251 /nfs/dbraw/zinc/28/52/51/402285251.db2.gz FEGBGUUFJJQHTF-CQSZACIVSA-N 1 0 319.332 2.386 50 0 DEAARO C[C@@H]1C[NH2+]CCN1Cc1ccccc1OCCCn1ccnc1 ZINC000216112808 402286818 /nfs/dbraw/zinc/28/68/18/402286818.db2.gz IWPGTYXYLJCIQW-MRXNPFEDSA-N 1 0 314.433 2.146 50 0 DEAARO Cc1c[nH]c(CN(C)C(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000216240740 402287622 /nfs/dbraw/zinc/28/76/22/402287622.db2.gz VCNCITJAQQNLAB-UHFFFAOYSA-N 1 0 300.406 2.375 50 0 DEAARO Fc1cccc(-n2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)cn2)c1 ZINC000216191477 402287928 /nfs/dbraw/zinc/28/79/28/402287928.db2.gz LRUZEMXKOJCNOZ-QGZVFWFLSA-N 1 0 300.381 2.291 50 0 DEAARO COc1cccc(CCNC(=O)C[C@@H]2CCCC[N@@H+]2C)c1OC ZINC000216405756 402288699 /nfs/dbraw/zinc/28/86/99/402288699.db2.gz DHVFFOZUGZALFB-HNNXBMFYSA-N 1 0 320.433 2.237 50 0 DEAARO CC1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000071857160 402289080 /nfs/dbraw/zinc/28/90/80/402289080.db2.gz WCSKROCKKCSFOX-UHFFFAOYSA-N 1 0 324.513 2.233 50 0 DEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1csc2c1CCCC2 ZINC000219145567 402298025 /nfs/dbraw/zinc/29/80/25/402298025.db2.gz XTKLHXCDGATPND-MSQAHXEGSA-N 1 0 320.458 2.074 50 0 DEAARO CCC[C@H](C)CS(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000221924079 402305177 /nfs/dbraw/zinc/30/51/77/402305177.db2.gz NHOZXKDIMLWSPD-ILXRZTDVSA-N 1 0 304.500 2.462 50 0 DEAARO Cc1nc(/C=C\C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000222027307 402305497 /nfs/dbraw/zinc/30/54/97/402305497.db2.gz NUXHGDJVAJIXNI-XVWMLYKFSA-N 1 0 324.446 2.365 50 0 DEAARO Cc1ccc(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)nc1 ZINC000222201781 402306365 /nfs/dbraw/zinc/30/63/65/402306365.db2.gz YAVDDWUDVQZRIE-CRAIPNDOSA-N 1 0 324.428 2.350 50 0 DEAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(OC(F)F)cc3)C[C@H]12 ZINC000222623471 402307624 /nfs/dbraw/zinc/30/76/24/402307624.db2.gz LEKJBVPCGVUELI-ZSOGYDGISA-N 1 0 310.344 2.168 50 0 DEAARO C[C@@H]1CCN(c2cc(N3CCSCC3)ncn2)CCS1 ZINC000225492663 402319230 /nfs/dbraw/zinc/31/92/30/402319230.db2.gz HWWYUFXUSDIHHJ-GFCCVEGCSA-N 1 0 310.492 2.362 50 0 DEAARO CC(=O)N1CCN(CC[NH2+][C@@H](c2cccs2)C(C)C)CC1 ZINC000225544308 402320596 /nfs/dbraw/zinc/32/05/96/402320596.db2.gz QOTKUKFSKPGFEX-MRXNPFEDSA-N 1 0 309.479 2.199 50 0 DEAARO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562586 402344024 /nfs/dbraw/zinc/34/40/24/402344024.db2.gz GFSQRHSKCKORIG-HOTGVXAUSA-N 1 0 307.482 2.242 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000227115364 402330709 /nfs/dbraw/zinc/33/07/09/402330709.db2.gz LZLOXYVAIRTBEC-UHFFFAOYSA-N 1 0 304.369 2.083 50 0 DEAARO CCC1=NO[C@H](C[NH+]2CCC(c3nnc4ccccn43)CC2)C1 ZINC000244817105 402450377 /nfs/dbraw/zinc/45/03/77/402450377.db2.gz SUKXDNZTAIHQHI-HNNXBMFYSA-N 1 0 313.405 2.464 50 0 DEAARO Cc1nc(-c2cccc(NC(=O)[C@H]([NH3+])c3ccccc3)c2)n[nH]1 ZINC000237822951 402422004 /nfs/dbraw/zinc/42/20/04/402422004.db2.gz RQMMVULATNQNKI-OAHLLOKOSA-N 1 0 307.357 2.419 50 0 DEAARO COCC[NH+]1CCC(NC(=O)Nc2ccc(COC)cc2)CC1 ZINC000239637022 402441886 /nfs/dbraw/zinc/44/18/86/402441886.db2.gz BIINHFFKZASIKV-UHFFFAOYSA-N 1 0 321.421 2.065 50 0 DEAARO C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCCO1 ZINC000240407363 402442012 /nfs/dbraw/zinc/44/20/12/402442012.db2.gz FLQKMXHWUSFHJS-IACUBPJLSA-N 1 0 311.451 2.218 50 0 DEAARO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCCC(=O)NC(N)=O)c1 ZINC000177882852 402442372 /nfs/dbraw/zinc/44/23/72/402442372.db2.gz QNNYKUQBBZEKTQ-HNNXBMFYSA-N 1 0 303.406 2.415 50 0 DEAARO CSc1cccc(CN(C)C(=O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000240936836 402442625 /nfs/dbraw/zinc/44/26/25/402442625.db2.gz SENRAELCOKUHAY-HNNXBMFYSA-N 1 0 321.490 2.003 50 0 DEAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC1(C)CCCCC1 ZINC000241439993 402443542 /nfs/dbraw/zinc/44/35/42/402443542.db2.gz NOEYOCYLTMXMRY-CABCVRRESA-N 1 0 314.495 2.455 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)[C@H]1SC ZINC000241897393 402443947 /nfs/dbraw/zinc/44/39/47/402443947.db2.gz TYJDPNMHYUJJGN-QKDZRIPBSA-N 1 0 317.495 2.051 50 0 DEAARO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CCOC2)cs1 ZINC000242048073 402444798 /nfs/dbraw/zinc/44/47/98/402444798.db2.gz VSMFSECJHIANLT-CFVMTHIKSA-N 1 0 313.442 2.085 50 0 DEAARO [NH3+][C@H]1C[C@@H](c2cc(NCc3ccccc3-n3cccn3)ncn2)C1 ZINC000244695560 402448204 /nfs/dbraw/zinc/44/82/04/402448204.db2.gz JORQRHUQTAQREL-GASCZTMLSA-N 1 0 320.400 2.479 50 0 DEAARO CCCn1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)c1C ZINC000244742249 402448796 /nfs/dbraw/zinc/44/87/96/402448796.db2.gz OEKHFZPYNFPUBU-DOTOQJQBSA-N 1 0 304.438 2.044 50 0 DEAARO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000245338897 402453329 /nfs/dbraw/zinc/45/33/29/402453329.db2.gz PEHVYWUFYDLGIJ-OIISXLGYSA-N 1 0 301.434 2.259 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000178572067 402512989 /nfs/dbraw/zinc/51/29/89/402512989.db2.gz GDHFSQDHLBGZOW-NSHDSACASA-N 1 0 316.323 2.325 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000178571524 402513134 /nfs/dbraw/zinc/51/31/34/402513134.db2.gz YLMHESKPCJXSSV-GFCCVEGCSA-N 1 0 319.405 2.294 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000178969242 402560096 /nfs/dbraw/zinc/56/00/96/402560096.db2.gz SITGWOCMUOMOOO-NSHDSACASA-N 1 0 318.808 2.412 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@H]1Cn1cncn1)c1ccc(F)cc1 ZINC000247761376 402575644 /nfs/dbraw/zinc/57/56/44/402575644.db2.gz HPISNHJEFYTMGA-HOTGVXAUSA-N 1 0 304.369 2.005 50 0 DEAARO CCC[N@@H+]1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248037666 402580832 /nfs/dbraw/zinc/58/08/32/402580832.db2.gz ZLVJYISCHKXPCB-BRWVUGGUSA-N 1 0 309.498 2.297 50 0 DEAARO C[N@H+](C[C@@H](O)c1ccccc1)C[C@H]1CCCN1c1cccnn1 ZINC000248096967 402581993 /nfs/dbraw/zinc/58/19/93/402581993.db2.gz GUEZXRZOBJZBSR-IAGOWNOFSA-N 1 0 312.417 2.111 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 ZINC000248121811 402582580 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Cc1csc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000252478309 402654145 /nfs/dbraw/zinc/65/41/45/402654145.db2.gz AJCAGULYARIYOC-UHFFFAOYSA-N 1 0 301.415 2.070 50 0 DEAARO C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000252487618 402655482 /nfs/dbraw/zinc/65/54/82/402655482.db2.gz ZNYBWBYKRPGUCO-DZKIICNBSA-N 1 0 309.454 2.260 50 0 DEAARO [NH3+][C@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000252506278 402657252 /nfs/dbraw/zinc/65/72/52/402657252.db2.gz VYGLRLGLKWZTMZ-CFNZNRNTSA-N 1 0 300.811 2.064 50 0 DEAARO COC[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1c1ccncc1 ZINC000253396190 402663531 /nfs/dbraw/zinc/66/35/31/402663531.db2.gz AWCRIMJMXHVTNV-RDJZCZTQSA-N 1 0 313.401 2.347 50 0 DEAARO [NH3+]C1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000253416010 402664458 /nfs/dbraw/zinc/66/44/58/402664458.db2.gz KLERKNWJXHFSGE-RMKNXTFCSA-N 1 0 300.811 2.064 50 0 DEAARO COC[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)[NH3+] ZINC000253415588 402664769 /nfs/dbraw/zinc/66/47/69/402664769.db2.gz 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CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)ncn2C ZINC000299766869 403569807 /nfs/dbraw/zinc/56/98/07/403569807.db2.gz TXZMVKXNBXYLFY-CYBMUJFWSA-N 1 0 301.394 2.179 50 0 DEAARO O=C(C[C@H]1CC[NH2+]C1)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000299770629 403570439 /nfs/dbraw/zinc/57/04/39/403570439.db2.gz XHQSQXJAMCSMKC-LLVKDONJSA-N 1 0 318.808 2.346 50 0 DEAARO Cc1cc(C)n(CC(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000299771293 403570898 /nfs/dbraw/zinc/57/08/98/403570898.db2.gz XYDIDZQNQCZFDF-INIZCTEOSA-N 1 0 318.465 2.271 50 0 DEAARO Cn1ccnc(N2CCC[C@@H]([NH2+]C3CC(C(C)(C)C)C3)C2)c1=O ZINC000354153502 405071338 /nfs/dbraw/zinc/07/13/38/405071338.db2.gz JKFOQVMJSPZSGC-SHARSMKWSA-N 1 0 318.465 2.163 50 0 DEAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)C(C)(C)[NH+]1CCCC1 ZINC000426399319 405357475 /nfs/dbraw/zinc/35/74/75/405357475.db2.gz BDVIAAYHTBHDOS-UHFFFAOYSA-N 1 0 304.438 2.121 50 0 DEAARO Cc1ccccc1OC1CN(C(=O)C[C@H]2CCCC[N@H+]2C)C1 ZINC000426441736 405360143 /nfs/dbraw/zinc/36/01/43/405360143.db2.gz 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/nfs/dbraw/zinc/81/34/60/406813460.db2.gz GDFBKRAXWAQPBV-UHFFFAOYSA-N 1 0 322.836 2.204 50 0 DEAARO CCn1cc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3C)C2)cn1 ZINC000575547816 406812264 /nfs/dbraw/zinc/81/22/64/406812264.db2.gz ZKUVBVLOBCHUQB-HNNXBMFYSA-N 1 0 301.394 2.194 50 0 DEAARO Cn1cncc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000131394170 196165385 /nfs/dbraw/zinc/16/53/85/196165385.db2.gz FDKAHFNGTAJBPM-CHWSQXEVSA-N 1 0 308.426 2.346 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2C)C1 ZINC000133051773 196307529 /nfs/dbraw/zinc/30/75/29/196307529.db2.gz WGAQKDADAQJSNI-HNNXBMFYSA-N 1 0 312.417 2.313 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2)C1 ZINC000134027821 196355125 /nfs/dbraw/zinc/35/51/25/196355125.db2.gz WWMDWJKAAASAFH-HNNXBMFYSA-N 1 0 301.434 2.419 50 0 DEAARO C[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)C[C@H](C)[NH2+]1 ZINC000179147802 224883275 /nfs/dbraw/zinc/88/32/75/224883275.db2.gz XTXDZWAVXIKDFU-PHIMTYICSA-N 1 0 302.403 2.028 50 0 DEAARO Cn1ccnc1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000408513665 227235780 /nfs/dbraw/zinc/23/57/80/227235780.db2.gz HRCMIIKIKRAXGQ-HOCLYGCPSA-N 1 0 310.401 2.015 50 0 DEAARO NC(=O)[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000048034872 424830164 /nfs/dbraw/zinc/83/01/64/424830164.db2.gz ATPYFWOLHBULGJ-LLVKDONJSA-N 1 0 305.765 2.302 50 0 DEAARO O=C(/C=C\c1ccccc1F)NCCCC[NH+]1CCOCC1 ZINC000048284609 424832174 /nfs/dbraw/zinc/83/21/74/424832174.db2.gz GXCOSDFIRPQPMG-FPLPWBNLSA-N 1 0 306.381 2.068 50 0 DEAARO O=C(NC[C@H]1CCOC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048367434 424832409 /nfs/dbraw/zinc/83/24/09/424832409.db2.gz UWRWTQIPWYNJPC-CQSZACIVSA-N 1 0 323.462 2.002 50 0 DEAARO COCc1nc(NCCc2ccc(C)o2)cc(C2CC([NH3+])C2)n1 ZINC000244605527 424886034 /nfs/dbraw/zinc/88/60/34/424886034.db2.gz FAESCKZSVVPUBC-UHFFFAOYSA-N 1 0 316.405 2.384 50 0 DEAARO Nc1n[nH]c([C@@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)n1 ZINC000585136623 424993217 /nfs/dbraw/zinc/99/32/17/424993217.db2.gz NFOCORBLSRMHAW-LLVKDONJSA-N 1 0 321.375 2.477 50 0 DEAARO O[C@H](C[NH2+][C@H]1COC2(CCC2)C1)COc1ccc(F)c(F)c1 ZINC000657871815 425412861 /nfs/dbraw/zinc/41/28/61/425412861.db2.gz CIRKHPQLLZGXNB-VXGBXAGGSA-N 1 0 313.344 2.006 50 0 DEAARO O=C(NCc1cscn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000051311884 274983507 /nfs/dbraw/zinc/98/35/07/274983507.db2.gz OYNSXELLZQFVMW-ZDUSSCGKSA-N 1 0 320.418 2.372 50 0 DEAARO O=C([C@@H]1CCCC[NH2+]1)N1CCc2c(Br)cccc2C1 ZINC000157272010 275003728 /nfs/dbraw/zinc/00/37/28/275003728.db2.gz GSFJIKHOEOMDGL-AWEZNQCLSA-N 1 0 323.234 2.476 50 0 DEAARO O=C1C[C@@]2(CC[N@H+](CCCn3cccn3)C2)Oc2ccccc21 ZINC000244874639 275020179 /nfs/dbraw/zinc/02/01/79/275020179.db2.gz XEULTDGTDFHFCM-GOSISDBHSA-N 1 0 311.385 2.383 50 0 DEAARO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1nnc2n1CCCC2 ZINC000195563021 275726527 /nfs/dbraw/zinc/72/65/27/275726527.db2.gz FSPRKRORBUGYLG-WQVCFCJDSA-N 1 0 302.422 2.052 50 0 DEAARO CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000065463013 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CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)C1(C)C ZINC000404706050 802028589 /nfs/dbraw/zinc/02/85/89/802028589.db2.gz JFUSNEPREFQXDB-CHWSQXEVSA-N 1 0 308.426 2.165 50 0 DEAARO COc1nc(N2CCCN(c3cc[nH+]cc3C)CC2)ncc1F ZINC001529155700 1070886932 /nfs/dbraw/zinc/88/69/32/1070886932.db2.gz YYXOFGXHAFEARV-UHFFFAOYSA-N 1 0 317.368 2.044 50 0 DEAARO CCCn1nc(C)cc1NC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC001529175012 1070902488 /nfs/dbraw/zinc/90/24/88/1070902488.db2.gz ZXBSOHNNZMYVIS-HNNXBMFYSA-N 1 0 316.405 2.119 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCN(c3cccc(O)c3)CC2)n1 ZINC001506402499 1061942839 /nfs/dbraw/zinc/94/28/39/1061942839.db2.gz NXAGBPFLABTYEV-INIZCTEOSA-N 1 0 314.433 2.416 50 0 DEAARO Fc1ccc(N2CCC([NH2+]CCc3ncc[nH]3)CC2)cc1F ZINC001506410816 1061949190 /nfs/dbraw/zinc/94/91/90/1061949190.db2.gz FUUSAJDLFCKLDT-UHFFFAOYSA-N 1 0 306.360 2.489 50 0 DEAARO Cc1ccc(N2CCC([NH2+]CCOCCO)CC2)cc1Cl ZINC001506420620 1061964526 /nfs/dbraw/zinc/96/45/26/1061964526.db2.gz AQAJFZXXUBJWQN-UHFFFAOYSA-N 1 0 312.841 2.216 50 0 DEAARO CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)NCCCn1cccc1 ZINC000823056096 1090661672 /nfs/dbraw/zinc/66/16/72/1090661672.db2.gz JIEDIBOAQVUVOS-INIZCTEOSA-N 1 0 306.454 2.252 50 0 DEAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 ZINC000090074220 185280535 /nfs/dbraw/zinc/28/05/35/185280535.db2.gz FFMMXMYEHKCXLM-CMPLNLGQSA-N 1 0 318.343 2.278 50 0 DEAARO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1sccc1C)CC2 ZINC000090396443 185294226 /nfs/dbraw/zinc/29/42/26/185294226.db2.gz NUHXXUQYLXGGAL-RYUDHWBXSA-N 1 0 306.435 2.460 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000090468344 185298162 /nfs/dbraw/zinc/29/81/62/185298162.db2.gz NLTIIIHQYDKNRH-SCZZXKLOSA-N 1 0 307.337 2.332 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000625341559 365737677 /nfs/dbraw/zinc/73/76/77/365737677.db2.gz SGCHLEXHAOBNNW-QWHCGFSZSA-N 1 0 310.467 2.398 50 0 DEAARO Cc1ccc2[nH]c(CCC(=O)N3CCCC[C@H]([NH3+])C3)nc2c1C ZINC000082138625 192360881 /nfs/dbraw/zinc/36/08/81/192360881.db2.gz OLMLKWJADZPVIU-AWEZNQCLSA-N 1 0 314.433 2.452 50 0 DEAARO COc1cccc(C2=CC[N@H+](CCN3CCCC3=O)CC2)c1 ZINC000095389976 185351057 /nfs/dbraw/zinc/35/10/57/185351057.db2.gz FUWDDLDVFMKVPH-UHFFFAOYSA-N 1 0 300.402 2.407 50 0 DEAARO CCCCCC[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082146197 192361888 /nfs/dbraw/zinc/36/18/88/192361888.db2.gz VRFDLFGGFFOGTF-UHFFFAOYSA-N 1 0 321.469 2.440 50 0 DEAARO CCc1nc(C)ncc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000095405240 185355818 /nfs/dbraw/zinc/35/58/18/185355818.db2.gz OTVXONHZEHGVMR-CABCVRRESA-N 1 0 316.449 2.435 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)NC[C@H](OC)c2ccc(F)cc2)CC1 ZINC000095427795 185361970 /nfs/dbraw/zinc/36/19/70/185361970.db2.gz VGQXOMSXGLQUKZ-INIZCTEOSA-N 1 0 323.412 2.250 50 0 DEAARO Cc1cc(F)cc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000095432060 185363518 /nfs/dbraw/zinc/36/35/18/185363518.db2.gz YMUQIDDIBUAHAP-HNNXBMFYSA-N 1 0 308.378 2.112 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccn(-c2nccs2)n1 ZINC000095444162 185366997 /nfs/dbraw/zinc/36/69/97/185366997.db2.gz PMAZTSRSMHWJNQ-NSHDSACASA-N 1 0 322.438 2.181 50 0 DEAARO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1cccc(C(N)=O)c1 ZINC000095466531 185371889 /nfs/dbraw/zinc/37/18/89/185371889.db2.gz DOEHTQYMSPVTDF-UHFFFAOYSA-N 1 0 318.417 2.482 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000097019936 185398256 /nfs/dbraw/zinc/39/82/56/185398256.db2.gz LSCDMPGQGDDUGD-SCZZXKLOSA-N 1 0 305.241 2.059 50 0 DEAARO Cn1cc(C[N@H+](C)C2CCS(=O)CC2)c(-c2cccs2)n1 ZINC000097033973 185399934 /nfs/dbraw/zinc/39/99/34/185399934.db2.gz JARCZRBNPBWBBM-UHFFFAOYSA-N 1 0 323.487 2.492 50 0 DEAARO COc1ccc([C@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)cc1F ZINC000097159774 185417585 /nfs/dbraw/zinc/41/75/85/185417585.db2.gz FTDVHHYXZFRAEQ-NSHDSACASA-N 1 0 321.396 2.491 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)c1ncsc1Br ZINC000408516498 529902857 /nfs/dbraw/zinc/90/28/57/529902857.db2.gz KKWWAOZXYUBMTQ-UHFFFAOYSA-N 1 0 318.240 2.072 50 0 DEAARO CC(C)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000083721636 539390834 /nfs/dbraw/zinc/39/08/34/539390834.db2.gz VIZKXQUTBQXRLX-HZPDHXFCSA-N 1 0 311.470 2.175 50 0 DEAARO C[S@](=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000083990353 539391194 /nfs/dbraw/zinc/39/11/94/539391194.db2.gz WFSDGYMYLSYCCG-RCDICMHDSA-N 1 0 321.446 2.126 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)CCN2c3ccccc3CC[C@@H]2C)C1 ZINC000178993438 530003769 /nfs/dbraw/zinc/00/37/69/530003769.db2.gz GZHIHHYEUKXUPC-JKSUJKDBSA-N 1 0 315.461 2.286 50 0 DEAARO CC(C)[C@@H](CNC(=O)[C@H](c1ccccc1)n1cccn1)[NH+](C)C ZINC000084410309 539395166 /nfs/dbraw/zinc/39/51/66/539395166.db2.gz JVMPPOCSZQYQPV-SJORKVTESA-N 1 0 314.433 2.175 50 0 DEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000085357799 539399839 /nfs/dbraw/zinc/39/98/39/539399839.db2.gz NCLFDRWXJXSAIO-TZMCWYRMSA-N 1 0 307.825 2.116 50 0 DEAARO Cc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc1-n1cncn1 ZINC000085332985 539400030 /nfs/dbraw/zinc/40/00/30/539400030.db2.gz IUDDFOSURUCYME-RTBURBONSA-N 1 0 320.396 2.324 50 0 DEAARO COC(=O)c1oc([C@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)cc1C ZINC000091590520 539420852 /nfs/dbraw/zinc/42/08/52/539420852.db2.gz FQSQMVUKFZCMOZ-NSHDSACASA-N 1 0 318.377 2.433 50 0 DEAARO C[N@@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000123878966 539466646 /nfs/dbraw/zinc/46/66/46/539466646.db2.gz DAUSAOLLVLYDDK-UHFFFAOYSA-N 1 0 302.300 2.270 50 0 DEAARO CN(C)c1cncc(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)n1 ZINC000067821612 190724810 /nfs/dbraw/zinc/72/48/10/190724810.db2.gz UVNQRMQUQKYZBR-NSHDSACASA-N 1 0 304.781 2.125 50 0 DEAARO CN(Cc1cc(-c2cccs2)n[nH]1)c1cc(CC[NH3+])ncn1 ZINC000067894121 190731969 /nfs/dbraw/zinc/73/19/69/190731969.db2.gz OIQUVUAEIFDFGU-UHFFFAOYSA-N 1 0 314.418 2.066 50 0 DEAARO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000068467881 190769433 /nfs/dbraw/zinc/76/94/33/190769433.db2.gz ACRWULPNLSZWBK-LLVKDONJSA-N 1 0 312.360 2.285 50 0 DEAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000071144915 190936591 /nfs/dbraw/zinc/93/65/91/190936591.db2.gz RMCIABKSKVRNFY-VIFPVBQESA-N 1 0 323.245 2.223 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000083851162 192386532 /nfs/dbraw/zinc/38/65/32/192386532.db2.gz MGCBZTYZVHFPBH-KGLIPLIRSA-N 1 0 305.426 2.241 50 0 DEAARO COC(=O)C1CCC([NH2+][C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000277317462 213440561 /nfs/dbraw/zinc/44/05/61/213440561.db2.gz WHPCYAKCLNNXDU-PESDSKBTSA-N 1 0 319.401 2.320 50 0 DEAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000071759880 191026381 /nfs/dbraw/zinc/02/63/81/191026381.db2.gz VKCNYTARBITIRP-VJTDZRGJSA-N 1 0 318.442 2.422 50 0 DEAARO COc1ccc(CC[C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)cc1 ZINC000071749703 191022396 /nfs/dbraw/zinc/02/23/96/191022396.db2.gz XSQITFCPXODDRC-HNNXBMFYSA-N 1 0 302.418 2.358 50 0 DEAARO O=C1CCCN1[C@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000071759285 191026610 /nfs/dbraw/zinc/02/66/10/191026610.db2.gz SCCRWYYUCHONSD-KRWDZBQOSA-N 1 0 302.418 2.290 50 0 DEAARO N[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000071771145 191030170 /nfs/dbraw/zinc/03/01/70/191030170.db2.gz CGTAESDADMVQJV-QGZVFWFLSA-N 1 0 301.434 2.163 50 0 DEAARO CC(C)c1nc2c(cnn2C)c(NCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000072148664 191054872 /nfs/dbraw/zinc/05/48/72/191054872.db2.gz IWSJAWKAXPCDMN-LBPRGKRZSA-N 1 0 302.426 2.383 50 0 DEAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000072165531 191064876 /nfs/dbraw/zinc/06/48/76/191064876.db2.gz GIMPMFHXIQNCIO-BZNIZROVSA-N 1 0 308.809 2.305 50 0 DEAARO c1ccc(Cn2nnnc2C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1 ZINC000072165754 191065523 /nfs/dbraw/zinc/06/55/23/191065523.db2.gz VGRLLHXTXQDAHP-WNKDZCFJSA-N 1 0 309.417 2.199 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(c2nc(-c3ccccc3)no2)CC1 ZINC000072166683 191067321 /nfs/dbraw/zinc/06/73/21/191067321.db2.gz BTIADWOMJLXHAS-KRWDZBQOSA-N 1 0 316.405 2.020 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000152440200 186073141 /nfs/dbraw/zinc/07/31/41/186073141.db2.gz SFZVHCKFRDAURW-LBPRGKRZSA-N 1 0 305.378 2.046 50 0 DEAARO CC[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CC[N@@H+]1C[C@@H](C)O ZINC000072279762 191100933 /nfs/dbraw/zinc/10/09/33/191100933.db2.gz HMLHAQFNJFKBLS-KGLIPLIRSA-N 1 0 309.454 2.249 50 0 DEAARO Cn1cc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cn1 ZINC000072289275 191108800 /nfs/dbraw/zinc/10/88/00/191108800.db2.gz OMYKTNYBRSTGTE-UHFFFAOYSA-N 1 0 307.357 2.489 50 0 DEAARO COC(=O)[C@@H](C)C[N@H+](Cc1cncn1C)Cc1ccccc1 ZINC000072312075 191120220 /nfs/dbraw/zinc/12/02/20/191120220.db2.gz HUUIUNQJLWAXMW-AWEZNQCLSA-N 1 0 301.390 2.231 50 0 DEAARO CCCn1ncc(C[NH+]2CCC3(CN(CC)C(=O)O3)CC2)c1C ZINC000072420018 191157663 /nfs/dbraw/zinc/15/76/63/191157663.db2.gz ONJWKTVNRRJDHL-UHFFFAOYSA-N 1 0 320.437 2.408 50 0 DEAARO C[C@@H](C1CCN(C(=O)CCCn2cccn2)CC1)[NH+]1CCCC1 ZINC000072432197 191164613 /nfs/dbraw/zinc/16/46/13/191164613.db2.gz KZLNGCRNCHLGAZ-INIZCTEOSA-N 1 0 318.465 2.386 50 0 DEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2ccon2)CC1 ZINC000072434218 191166260 /nfs/dbraw/zinc/16/62/60/191166260.db2.gz ZQWFAAOPCDSSSS-UHFFFAOYSA-N 1 0 313.401 2.454 50 0 DEAARO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072457652 191172697 /nfs/dbraw/zinc/17/26/97/191172697.db2.gz NDSWWYWEAKIYAP-CQSZACIVSA-N 1 0 306.450 2.299 50 0 DEAARO CC[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1nc(C(F)(F)F)cs1 ZINC000072511902 191184545 /nfs/dbraw/zinc/18/45/45/191184545.db2.gz QBPOZBYNJROAQB-JGVFFNPUSA-N 1 0 307.341 2.481 50 0 DEAARO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000072636319 191206787 /nfs/dbraw/zinc/20/67/87/191206787.db2.gz BYQRMHYBWPXBMY-AWEZNQCLSA-N 1 0 306.406 2.118 50 0 DEAARO CCC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1 ZINC000072659306 191209844 /nfs/dbraw/zinc/20/98/44/191209844.db2.gz VQTQUDOXLOSNAI-CYBMUJFWSA-N 1 0 308.422 2.488 50 0 DEAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000003282930 181000003 /nfs/dbraw/zinc/00/00/03/181000003.db2.gz OKUMUOWMOUTVQI-UHFFFAOYSA-N 1 0 304.843 2.206 50 0 DEAARO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000003456651 353991500 /nfs/dbraw/zinc/99/15/00/353991500.db2.gz VSONKLRWXJMQQO-JKSUJKDBSA-N 1 0 323.433 2.062 50 0 DEAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000004023849 181063367 /nfs/dbraw/zinc/06/33/67/181063367.db2.gz JQBQFKBTBZDNRL-CHWSQXEVSA-N 1 0 300.443 2.232 50 0 biogenic DEAARO COC(=O)C1CC[NH+](CCCOc2ccc(C=O)cc2)CC1 ZINC000004038385 181066183 /nfs/dbraw/zinc/06/61/83/181066183.db2.gz USIKOIRKUHITOL-UHFFFAOYSA-N 1 0 305.374 2.153 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2cccnc2[nH]c1=S ZINC000020618258 354047760 /nfs/dbraw/zinc/04/77/60/354047760.db2.gz HDJWNPCASXEXPY-GFCCVEGCSA-N 1 0 318.446 2.345 50 0 DEAARO C[NH+](C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000004278490 181091349 /nfs/dbraw/zinc/09/13/49/181091349.db2.gz KDYGKKUDAOGVTN-UHFFFAOYSA-N 1 0 304.312 2.057 50 0 DEAARO COc1ccc([C@H]2SCC(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000004505869 181116913 /nfs/dbraw/zinc/11/69/13/181116913.db2.gz ZNBVRSHMULUPAJ-MRXNPFEDSA-N 1 0 324.446 2.230 50 0 DEAARO Cn1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000057860666 354582550 /nfs/dbraw/zinc/58/25/50/354582550.db2.gz NSAQJZOMXPKBSR-CQSZACIVSA-N 1 0 308.426 2.251 50 0 DEAARO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581574 354594653 /nfs/dbraw/zinc/59/46/53/354594653.db2.gz NRGZWSVNGRGALB-XHSDSOJGSA-N 1 0 311.447 2.442 50 0 DEAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000065521418 354684855 /nfs/dbraw/zinc/68/48/55/354684855.db2.gz CYXLIGWYLCMTCJ-HNNXBMFYSA-N 1 0 308.389 2.081 50 0 DEAARO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065968521 354696276 /nfs/dbraw/zinc/69/62/76/354696276.db2.gz XAQPLGLIZQGGOS-VTXSZYRJSA-N 1 0 307.438 2.121 50 0 DEAARO C[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000004820453 181156598 /nfs/dbraw/zinc/15/65/98/181156598.db2.gz WXYWLZDLBMBNPQ-UHFFFAOYSA-N 1 0 300.358 2.432 50 0 DEAARO CCC(CC)CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000071856715 354897417 /nfs/dbraw/zinc/89/74/17/354897417.db2.gz RDXMYVMWMKZJAL-UHFFFAOYSA-N 1 0 311.470 2.176 50 0 DEAARO C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000074745480 355046917 /nfs/dbraw/zinc/04/69/17/355046917.db2.gz OZTZLDJOKNJIJC-RDJZCZTQSA-N 1 0 318.465 2.226 50 0 DEAARO CCOc1cccc(C[NH2+]CC(C)(C)N2CCS(=O)CC2)c1 ZINC000075092254 355067414 /nfs/dbraw/zinc/06/74/14/355067414.db2.gz BUZPDNKTLMGKSI-UHFFFAOYSA-N 1 0 324.490 2.018 50 0 DEAARO CCc1cnc(CN(C)[C@H]2CC[N@H+](CCc3ccncc3)C2)o1 ZINC000076047809 355121298 /nfs/dbraw/zinc/12/12/98/355121298.db2.gz OZZNWXAIVFVXCX-INIZCTEOSA-N 1 0 314.433 2.381 50 0 DEAARO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)CCn1cncn1 ZINC000079443167 355310116 /nfs/dbraw/zinc/31/01/16/355310116.db2.gz DOQUFZIYIPCDAU-AEFFLSMTSA-N 1 0 313.449 2.121 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cnc3cc(C)ccn23)[C@H](C)C1 ZINC000078897603 355283886 /nfs/dbraw/zinc/28/38/86/355283886.db2.gz UZCZOMGKMSSBOO-ZBFHGGJFSA-N 1 0 314.433 2.379 50 0 DEAARO C[C@H]1CCC[N@@H+]1CC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 ZINC000078965933 355288151 /nfs/dbraw/zinc/28/81/51/355288151.db2.gz ARCYZJQEGLPBOY-ZDUSSCGKSA-N 1 0 316.401 2.047 50 0 DEAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](Cc3c(C)noc3C)C2)o1 ZINC000084258944 355475489 /nfs/dbraw/zinc/47/54/89/355475489.db2.gz KDRPKFYRAFZULL-AWEZNQCLSA-N 1 0 304.394 2.294 50 0 DEAARO OC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000110692298 355744068 /nfs/dbraw/zinc/74/40/68/355744068.db2.gz CBTQEXUQLSGJHV-RISCZKNCSA-N 1 0 314.223 2.187 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)CCc1ccc(O)cc1)CC2 ZINC000136400581 355867949 /nfs/dbraw/zinc/86/79/49/355867949.db2.gz UHXGOEJSOPWGJO-UKRRQHHQSA-N 1 0 314.433 2.472 50 0 DEAARO COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CCSC3)C2=O)c1 ZINC000129165584 355832796 /nfs/dbraw/zinc/83/27/96/355832796.db2.gz AHGWDKCVQGBTJZ-IUODEOHRSA-N 1 0 306.431 2.286 50 0 DEAARO Cc1ccc(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)o1 ZINC000078602388 191893958 /nfs/dbraw/zinc/89/39/58/191893958.db2.gz KNYZKJJKWKHHCY-UHFFFAOYSA-N 1 0 309.387 2.160 50 0 DEAARO COc1cc[nH+]c(N[C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000170594858 355986917 /nfs/dbraw/zinc/98/69/17/355986917.db2.gz YBCPATDHUQUZDT-GFCCVEGCSA-N 1 0 306.387 2.365 50 0 DEAARO CCOC(CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000170608079 355988806 /nfs/dbraw/zinc/98/88/06/355988806.db2.gz HYBAMTCJUAGJTE-ZBFHGGJFSA-N 1 0 324.465 2.251 50 0 DEAARO CCOC(CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000170608077 355988872 /nfs/dbraw/zinc/98/88/72/355988872.db2.gz HYBAMTCJUAGJTE-GDBMZVCRSA-N 1 0 324.465 2.251 50 0 DEAARO COC(=O)c1c[nH]c(SCc2cn3cc(C)ccc3n2)n1 ZINC000193544736 356226747 /nfs/dbraw/zinc/22/67/47/356226747.db2.gz PDKSCXICNKYMJD-UHFFFAOYSA-N 1 0 302.359 2.445 50 0 DEAARO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)CN1CCCC1=O ZINC000195540113 356256202 /nfs/dbraw/zinc/25/62/02/356256202.db2.gz IWHQWOVHKHTWKM-INIZCTEOSA-N 1 0 322.424 2.410 50 0 DEAARO O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000195573839 356258700 /nfs/dbraw/zinc/25/87/00/356258700.db2.gz VFKBOGJKQZGKMD-YYIAUSFCSA-N 1 0 321.465 2.118 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000195573579 356258848 /nfs/dbraw/zinc/25/88/48/356258848.db2.gz JWPRGMMDNGKGFS-HNNXBMFYSA-N 1 0 300.406 2.170 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000195573581 356259040 /nfs/dbraw/zinc/25/90/40/356259040.db2.gz JWPRGMMDNGKGFS-OAHLLOKOSA-N 1 0 300.406 2.170 50 0 DEAARO CC[NH+]1CCN([C@@H](C)CNc2c(F)c(F)nc(F)c2F)CC1 ZINC000080931700 192202586 /nfs/dbraw/zinc/20/25/86/192202586.db2.gz BTKOSPRINMWIQO-VIFPVBQESA-N 1 0 320.334 2.076 50 0 DEAARO CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)c1ccccc1 ZINC000257365245 356338778 /nfs/dbraw/zinc/33/87/78/356338778.db2.gz KREBRVUSFIZFIY-DOTOQJQBSA-N 1 0 312.417 2.007 50 0 DEAARO CC[C@@](C)(O)Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000585091525 540256605 /nfs/dbraw/zinc/25/66/05/540256605.db2.gz SWORWGMSPIIYCP-QZTJIDSGSA-N 1 0 314.433 2.429 50 0 DEAARO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CC23CCCCC3)cn1 ZINC000409420261 356736126 /nfs/dbraw/zinc/73/61/26/356736126.db2.gz UJJHOOIJYQGPIP-HNNXBMFYSA-N 1 0 317.433 2.332 50 0 DEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1csc2c1CCCC2 ZINC000584889624 357325957 /nfs/dbraw/zinc/32/59/57/357325957.db2.gz DPWXJYNNNGGUQR-KBPBESRZSA-N 1 0 308.447 2.076 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cccc(-c3ccc4c(c3)NC(=O)C4)c2)C1 ZINC000584895761 357329274 /nfs/dbraw/zinc/32/92/74/357329274.db2.gz IDZWOFWMIVFWJE-INIZCTEOSA-N 1 0 321.380 2.021 50 0 DEAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000131096868 283458767 /nfs/dbraw/zinc/45/87/67/283458767.db2.gz GTVGHBNLNADGTM-NSHDSACASA-N 1 0 302.403 2.159 50 0 DEAARO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237550334 202278682 /nfs/dbraw/zinc/27/86/82/202278682.db2.gz RRSKRWJWRJRGCQ-YJBOKZPZSA-N 1 0 311.429 2.151 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000237694214 202330319 /nfs/dbraw/zinc/33/03/19/202330319.db2.gz JOMFIDWEQCLVIB-HOTGVXAUSA-N 1 0 316.445 2.287 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000237692593 202330342 /nfs/dbraw/zinc/33/03/42/202330342.db2.gz QCCPPUOAZNBNAM-WBVHZDCISA-N 1 0 316.445 2.287 50 0 DEAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000237849257 202369535 /nfs/dbraw/zinc/36/95/35/202369535.db2.gz QUMMOXHOKQLJHH-ZDUSSCGKSA-N 1 0 302.353 2.169 50 0 DEAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccccc2F)C1 ZINC000237879570 202377600 /nfs/dbraw/zinc/37/76/00/202377600.db2.gz LHKHPLBTRWRCDN-GOEBONIOSA-N 1 0 318.392 2.115 50 0 DEAARO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1CC[NH+](C)CC1 ZINC000006007527 181305413 /nfs/dbraw/zinc/30/54/13/181305413.db2.gz CSUDJWBOPLRWGV-ZDUSSCGKSA-N 1 0 302.418 2.153 50 0 DEAARO O=C(CCc1cn[nH]c1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670448441 540935074 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ZINC000091769012 193103685 /nfs/dbraw/zinc/10/36/85/193103685.db2.gz VMXPGRHJVGBFIK-UHFFFAOYSA-N 1 0 316.453 2.441 50 0 DEAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(Cc2ccc(Cl)s2)C1 ZINC000091877081 193121959 /nfs/dbraw/zinc/12/19/59/193121959.db2.gz XQNVEAVJWUJTPL-NEPJUHHUSA-N 1 0 302.871 2.394 50 0 DEAARO CN(Cc1ccccc1)C(=O)CC[N@@H+]1CC(C)(C)[C@@](C)(O)C1 ZINC000091964599 193134173 /nfs/dbraw/zinc/13/41/73/193134173.db2.gz QNQFWUBCYJLVSO-SFHVURJKSA-N 1 0 304.434 2.128 50 0 DEAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1ccc2sccc2c1 ZINC000091973995 193134557 /nfs/dbraw/zinc/13/45/57/193134557.db2.gz GYVFJSKAWPJUNC-ZDUSSCGKSA-N 1 0 318.442 2.335 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CO ZINC000092003768 193139848 /nfs/dbraw/zinc/13/98/48/193139848.db2.gz JYLWXMIBDQTRMR-IAGOWNOFSA-N 1 0 320.481 2.059 50 0 DEAARO NC(=O)c1cccc(C[C@H]2CC[N@H+](CC3CCOCC3)C2)c1 ZINC000092037001 193144837 /nfs/dbraw/zinc/14/48/37/193144837.db2.gz ROHJVIUKVHMDBP-MRXNPFEDSA-N 1 0 302.418 2.077 50 0 DEAARO CSCCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 ZINC000092062392 193150240 /nfs/dbraw/zinc/15/02/40/193150240.db2.gz ZGOXZIHZYLXUJU-LSDHHAIUSA-N 1 0 308.495 2.367 50 0 DEAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C(C)C)C1 ZINC000092065967 193150344 /nfs/dbraw/zinc/15/03/44/193150344.db2.gz QCIONQDLFBNUJC-CVEARBPZSA-N 1 0 306.454 2.004 50 0 DEAARO Nc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000092065053 193151160 /nfs/dbraw/zinc/15/11/60/193151160.db2.gz SGJDPULYBWOACU-FUHWJXTLSA-N 1 0 323.444 2.155 50 0 DEAARO COCc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000093017413 193195204 /nfs/dbraw/zinc/19/52/04/193195204.db2.gz PHWDFJJCGVLYDC-LJQANCHMSA-N 1 0 318.461 2.377 50 0 DEAARO NC(=O)NC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000093051919 193197981 /nfs/dbraw/zinc/19/79/81/193197981.db2.gz VVSICKFWXDQKRA-UHFFFAOYSA-N 1 0 320.412 2.059 50 0 DEAARO COc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147938 193208175 /nfs/dbraw/zinc/20/81/75/193208175.db2.gz PZGQXMGMJLWFKO-GOSISDBHSA-N 1 0 317.477 2.297 50 0 DEAARO COc1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1O ZINC000095988064 193480363 /nfs/dbraw/zinc/48/03/63/193480363.db2.gz VMWDMCDAGNXBBI-XKQJLSEDSA-N 1 0 303.402 2.491 50 0 DEAARO CC(C)Oc1ccc(C(=O)N2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000014958185 181977425 /nfs/dbraw/zinc/97/74/25/181977425.db2.gz MGXCWQVCDSLFME-QGZVFWFLSA-N 1 0 320.433 2.267 50 0 DEAARO CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000016580797 182050897 /nfs/dbraw/zinc/05/08/97/182050897.db2.gz IJKBOBOXKRFRQR-INIZCTEOSA-N 1 0 306.406 2.063 50 0 DEAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 ZINC000016605136 182053358 /nfs/dbraw/zinc/05/33/58/182053358.db2.gz XHIKLLJALQWMND-NSHDSACASA-N 1 0 312.360 2.333 50 0 DEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3)C2=O)cc1 ZINC000018284786 182101578 /nfs/dbraw/zinc/10/15/78/182101578.db2.gz KCEGQKSEICFHFM-INIZCTEOSA-N 1 0 310.353 2.117 50 0 DEAARO COc1cc(CN2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000019447999 182123952 /nfs/dbraw/zinc/12/39/52/182123952.db2.gz VSSNDYMBRHYPKO-UHFFFAOYSA-N 1 0 308.422 2.238 50 0 DEAARO COc1cc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000019841479 182156102 /nfs/dbraw/zinc/15/61/02/182156102.db2.gz UZGUNDTXQXDRMA-STQMWFEESA-N 1 0 322.405 2.142 50 0 DEAARO Cc1ccsc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000019871779 182159108 /nfs/dbraw/zinc/15/91/08/182159108.db2.gz CSGINZPVWZCSLF-UHFFFAOYSA-N 1 0 310.444 2.036 50 0 DEAARO Cc1ncc2c(c1-c1noc(-c3ccccc3O)n1)CC[NH2+]C2 ZINC000020272229 182202013 /nfs/dbraw/zinc/20/20/13/182202013.db2.gz DWLSOXTXMGLRID-UHFFFAOYSA-N 1 0 308.341 2.458 50 0 DEAARO CCn1ncc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1C ZINC000020601316 182236659 /nfs/dbraw/zinc/23/66/59/182236659.db2.gz VOUYYAMBTNCNRM-KRWDZBQOSA-N 1 0 322.497 2.126 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2ccc(C(N)=O)cc2)CCCCCC1 ZINC000024583782 182384500 /nfs/dbraw/zinc/38/45/00/182384500.db2.gz QBXFIGYKTZCOSW-UHFFFAOYSA-N 1 0 317.433 2.170 50 0 DEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccnn2C)C1 ZINC000681465966 542151799 /nfs/dbraw/zinc/15/17/99/542151799.db2.gz RBNXJOJJTDPBGC-HIFRSBDPSA-N 1 0 313.405 2.377 50 0 DEAARO Cc1cccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000040539061 183096141 /nfs/dbraw/zinc/09/61/41/183096141.db2.gz JCWKPUAIJCMFQH-UHFFFAOYSA-N 1 0 316.445 2.488 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000040523366 183091551 /nfs/dbraw/zinc/09/15/51/183091551.db2.gz MENLNMNTDGFZMQ-ZBFHGGJFSA-N 1 0 320.433 2.201 50 0 DEAARO Cc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000040525335 183092246 /nfs/dbraw/zinc/09/22/46/183092246.db2.gz GCSYNFIRGZPBQJ-HNNXBMFYSA-N 1 0 305.422 2.272 50 0 DEAARO Cc1ccc(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1C ZINC000042541554 183283455 /nfs/dbraw/zinc/28/34/55/183283455.db2.gz MZJAIVKKKYRIIP-UHFFFAOYSA-N 1 0 303.450 2.059 50 0 DEAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000048006669 183613940 /nfs/dbraw/zinc/61/39/40/183613940.db2.gz HSONLJLXMLLHAM-LBPRGKRZSA-N 1 0 307.394 2.325 50 0 DEAARO COCCC[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047935916 183609671 /nfs/dbraw/zinc/60/96/71/183609671.db2.gz GDRSFTJBJAFSKK-UHFFFAOYSA-N 1 0 322.424 2.233 50 0 DEAARO CCC[NH+]1CCC(NC(=O)C2=NO[C@H](c3ccccc3)C2)CC1 ZINC000052985320 183882836 /nfs/dbraw/zinc/88/28/36/183882836.db2.gz SDUZGLPVVLPDGG-KRWDZBQOSA-N 1 0 315.417 2.495 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000110702756 194351929 /nfs/dbraw/zinc/35/19/29/194351929.db2.gz PAWIKOFNWSFJGP-HZUKXOBISA-N 1 0 307.390 2.149 50 0 DEAARO CC[NH+]1CCC(CNC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000057000440 184023865 /nfs/dbraw/zinc/02/38/65/184023865.db2.gz JSYRSWPILFKGMP-UHFFFAOYSA-N 1 0 300.406 2.104 50 0 DEAARO CC[NH+]1CCC(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 ZINC000057000702 184024076 /nfs/dbraw/zinc/02/40/76/184024076.db2.gz VCVRFIIMJKWZNI-GUYCJALGSA-N 1 0 318.417 2.063 50 0 DEAARO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000058201272 184087211 /nfs/dbraw/zinc/08/72/11/184087211.db2.gz UZQNSJGOOZGFEN-ZBFHGGJFSA-N 1 0 310.463 2.399 50 0 DEAARO O=C(c1ncccc1O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000058355828 184107670 /nfs/dbraw/zinc/10/76/70/184107670.db2.gz DXRSSPRBWRJDGB-UHFFFAOYSA-N 1 0 311.385 2.135 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1ccnc1)c1ccco1 ZINC000058354803 184107919 /nfs/dbraw/zinc/10/79/19/184107919.db2.gz HAWLLWSFXXOADU-UONOGXRCSA-N 1 0 304.394 2.236 50 0 DEAARO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000058357823 184108990 /nfs/dbraw/zinc/10/89/90/184108990.db2.gz ATYXUILTVHSJCF-VXGBXAGGSA-N 1 0 304.369 2.423 50 0 DEAARO CC[NH+]1CCC(N(C(=O)CNC(=O)CC(C)(C)C)C2CC2)CC1 ZINC000058261035 184095186 /nfs/dbraw/zinc/09/51/86/184095186.db2.gz HVSXNHNUIGOECY-UHFFFAOYSA-N 1 0 323.481 2.014 50 0 DEAARO Cn1nccc1C1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000058290003 184101028 /nfs/dbraw/zinc/10/10/28/184101028.db2.gz JNWVCOMSOROYON-KRWDZBQOSA-N 1 0 303.381 2.472 50 0 DEAARO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000058291674 184101335 /nfs/dbraw/zinc/10/13/35/184101335.db2.gz VUUCWGGKHJCAJH-MRXNPFEDSA-N 1 0 318.465 2.074 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000058331278 184106484 /nfs/dbraw/zinc/10/64/84/184106484.db2.gz XELONFLGZYXIHL-HUUCEWRRSA-N 1 0 322.416 2.461 50 0 DEAARO COc1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000060411006 184149029 /nfs/dbraw/zinc/14/90/29/184149029.db2.gz OMKQCODRWHGYMA-JTQLQIEISA-N 1 0 314.332 2.121 50 0 DEAARO O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605978 184177179 /nfs/dbraw/zinc/17/71/79/184177179.db2.gz OUBXRGUFAGRSLP-XVNBXDOJSA-N 1 0 314.385 2.125 50 0 DEAARO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCO2)c1 ZINC000062473323 184239918 /nfs/dbraw/zinc/23/99/18/184239918.db2.gz XFNLQLCTNMTZEY-INIZCTEOSA-N 1 0 305.422 2.117 50 0 DEAARO C[N@H+](CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000063116848 184271973 /nfs/dbraw/zinc/27/19/73/184271973.db2.gz YWQATMBTPHTKPI-UHFFFAOYSA-N 1 0 302.353 2.040 50 0 DEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000063159802 184275450 /nfs/dbraw/zinc/27/54/50/184275450.db2.gz UQMVOHKNSSCFGB-UHFFFAOYSA-N 1 0 316.854 2.269 50 0 DEAARO CC[NH+]1CCN(CCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000065288291 184322385 /nfs/dbraw/zinc/32/23/85/184322385.db2.gz MQLLIQFZYZGQJL-UHFFFAOYSA-N 1 0 300.406 2.225 50 0 DEAARO CCc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000065494602 184354931 /nfs/dbraw/zinc/35/49/31/184354931.db2.gz DWDRPTWUHLFGOX-ZDUSSCGKSA-N 1 0 306.454 2.367 50 0 DEAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000065501443 184355315 /nfs/dbraw/zinc/35/53/15/184355315.db2.gz ZBNIHRBUTJLCQG-WMZOPIPTSA-N 1 0 312.417 2.394 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000269209283 207327904 /nfs/dbraw/zinc/32/79/04/207327904.db2.gz BKSWMVZLQHKEOY-ZOWXZIJZSA-N 1 0 308.809 2.367 50 0 DEAARO O=C(c1cnn2ccccc12)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067723940 184483005 /nfs/dbraw/zinc/48/30/05/184483005.db2.gz XHJOPDCVKQELRD-UHFFFAOYSA-N 1 0 312.417 2.330 50 0 DEAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]C1CCC1 ZINC000067833509 184487251 /nfs/dbraw/zinc/48/72/51/184487251.db2.gz BPVXAJKJRFSZLP-IBGZPJMESA-N 1 0 316.445 2.115 50 0 DEAARO O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)N1CCOCC1 ZINC000069567712 184526760 /nfs/dbraw/zinc/52/67/60/184526760.db2.gz GOEURSKEPTYSHW-GOSISDBHSA-N 1 0 302.418 2.366 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000159070934 197324219 /nfs/dbraw/zinc/32/42/19/197324219.db2.gz YZVUVJJSZWNNMR-RHSMWYFYSA-N 1 0 302.418 2.149 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000156706805 197134795 /nfs/dbraw/zinc/13/47/95/197134795.db2.gz NDIIWQNRYVUNRC-JTQLQIEISA-N 1 0 302.296 2.267 50 0 DEAARO Cn1cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1 ZINC000083455956 257240355 /nfs/dbraw/zinc/24/03/55/257240355.db2.gz SRZMGVFQVYQFNJ-INIZCTEOSA-N 1 0 308.426 2.203 50 0 DEAARO COc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000521394622 257240846 /nfs/dbraw/zinc/24/08/46/257240846.db2.gz DAAKCWRYBPJWOI-SECBINFHSA-N 1 0 303.189 2.436 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)cc1O ZINC000071924573 184907647 /nfs/dbraw/zinc/90/76/47/184907647.db2.gz WGRWMMZTUQWHHR-QWHCGFSZSA-N 1 0 306.406 2.280 50 0 DEAARO C[C@@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000131783082 296454403 /nfs/dbraw/zinc/45/44/03/296454403.db2.gz BTWQPFCLROULFB-RHSMWYFYSA-N 1 0 311.470 2.317 50 0 DEAARO CN1CC[NH+](CC2CCN(C(=O)CC3(C)CCCC3)CC2)CC1 ZINC000377432252 133330006 /nfs/dbraw/zinc/33/00/06/133330006.db2.gz NTGYZRBMWIYABE-UHFFFAOYSA-N 1 0 321.509 2.443 50 0 DEAARO Cc1cnc([C@H](NC(=O)NCC[N@@H+](C)C2CC2)C2CC2)s1 ZINC000074200501 401733118 /nfs/dbraw/zinc/73/31/18/401733118.db2.gz DTZSCEMXHIJKTJ-CYBMUJFWSA-N 1 0 308.451 2.296 50 0 DEAARO CC[NH+](CC)CCN(CCOC)c1cc(C)nc(C2CC2)n1 ZINC000075107032 401749449 /nfs/dbraw/zinc/74/94/49/401749449.db2.gz UXSYIGWLMNHWAK-UHFFFAOYSA-N 1 0 306.454 2.457 50 0 DEAARO Cc1ccc(-c2noc(CSc3nc(N)cc(N)[nH+]3)n2)cc1 ZINC000000094146 401687952 /nfs/dbraw/zinc/68/79/52/401687952.db2.gz BJRTUHSGRVRHOR-UHFFFAOYSA-N 1 0 314.374 2.292 50 0 DEAARO NC(=O)C1CC[NH+](CC(O)(c2ccccc2)c2ccccc2)CC1 ZINC000000130352 401688402 /nfs/dbraw/zinc/68/84/02/401688402.db2.gz RKWSZUMHWAOXHM-UHFFFAOYSA-N 1 0 324.424 2.120 50 0 DEAARO Cc1nc(CN2CCC[C@H]([N@H+](C)Cc3c(C)noc3C)C2)no1 ZINC000071870488 401689844 /nfs/dbraw/zinc/68/98/44/401689844.db2.gz DQTRDIUFBUKCGC-AWEZNQCLSA-N 1 0 319.409 2.079 50 0 DEAARO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000000239790 401691992 /nfs/dbraw/zinc/69/19/92/401691992.db2.gz RHWZVTQSCHNNHS-ZDUSSCGKSA-N 1 0 306.406 2.260 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000000293913 401693596 /nfs/dbraw/zinc/69/35/96/401693596.db2.gz JGJQXWOPITYZNV-CQSZACIVSA-N 1 0 307.390 2.479 50 0 DEAARO C[C@H](C[NH+]1CCCCC1)OC(=O)[C@H]1COc2ccccc2O1 ZINC000000316373 401694476 /nfs/dbraw/zinc/69/44/76/401694476.db2.gz NNCGNPRKCLJWQT-CZUORRHYSA-N 1 0 305.374 2.244 50 0 DEAARO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000071914462 401696905 /nfs/dbraw/zinc/69/69/05/401696905.db2.gz UHQWVJPVGFCZBI-LBPRGKRZSA-N 1 0 324.371 2.196 50 0 DEAARO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1OC ZINC000071915440 401697002 /nfs/dbraw/zinc/69/70/02/401697002.db2.gz VEOBZIVKOCZKQQ-HNNXBMFYSA-N 1 0 320.433 2.045 50 0 DEAARO COc1ccccc1/C=C/C[NH2+]CC(C)(C)N1CCOCC1 ZINC000071924517 401697952 /nfs/dbraw/zinc/69/79/52/401697952.db2.gz XTLGJRNADKFQBI-SOFGYWHQSA-N 1 0 304.434 2.409 50 0 DEAARO Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)c1 ZINC000072012762 401701002 /nfs/dbraw/zinc/70/10/02/401701002.db2.gz ABSSHLPFZYOFPU-HNNXBMFYSA-N 1 0 324.428 2.395 50 0 DEAARO CC(=O)N1CCC(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000072253597 401704341 /nfs/dbraw/zinc/70/43/41/401704341.db2.gz WFJAZCGCQBPKMN-KRWDZBQOSA-N 1 0 318.465 2.432 50 0 DEAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000072407668 401710026 /nfs/dbraw/zinc/71/00/26/401710026.db2.gz WJNCTICXRNWRFS-DLBZAZTESA-N 1 0 302.418 2.146 50 0 DEAARO C[N@H+](CCO)C[C@H](O)CN(c1ccccc1)c1ccccc1 ZINC000001819743 401711143 /nfs/dbraw/zinc/71/11/43/401711143.db2.gz SKYQKBKRQSMUEN-SFHVURJKSA-N 1 0 300.402 2.110 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002630554 401716132 /nfs/dbraw/zinc/71/61/32/401716132.db2.gz IZMNPAAYEOHJJJ-HNNXBMFYSA-N 1 0 317.433 2.336 50 0 DEAARO CC(C)(CO)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000002827183 401718959 /nfs/dbraw/zinc/71/89/59/401718959.db2.gz GDEYSGYAHFMAMR-QGZVFWFLSA-N 1 0 315.413 2.454 50 0 DEAARO Clc1cccc(COc2cncc(N3CC[NH2+]CC3)n2)c1 ZINC000014211319 401809504 /nfs/dbraw/zinc/80/95/04/401809504.db2.gz PCWGGOVOEWHPMG-UHFFFAOYSA-N 1 0 304.781 2.119 50 0 in-vitro DEAARO C[C@@H](C(=O)Nc1ccccc1C(N)=O)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009497806 401763071 /nfs/dbraw/zinc/76/30/71/401763071.db2.gz AAAHTGPODDTJHQ-XQQFMLRXSA-N 1 0 303.406 2.090 50 0 DEAARO COc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2=O)cc1F ZINC000075876408 401772547 /nfs/dbraw/zinc/77/25/47/401772547.db2.gz ADKAFEICQANEHT-HNNXBMFYSA-N 1 0 306.381 2.421 50 0 DEAARO COc1ccc2c(CC(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)coc2c1 ZINC000076050656 401779141 /nfs/dbraw/zinc/77/91/41/401779141.db2.gz NWXCLPRTFHCIBY-LRDDRELGSA-N 1 0 316.401 2.392 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000012196057 401781407 /nfs/dbraw/zinc/78/14/07/401781407.db2.gz PFOXNZFGYNSSNG-LBPRGKRZSA-N 1 0 302.330 2.041 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000076089594 401781610 /nfs/dbraw/zinc/78/16/10/401781610.db2.gz PLJONMZHZSNIIQ-DOMZBBRYSA-N 1 0 314.426 2.148 50 0 DEAARO CNS(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000076089592 401781778 /nfs/dbraw/zinc/78/17/78/401781778.db2.gz PLJONMZHZSNIIQ-SWLSCSKDSA-N 1 0 314.426 2.148 50 0 DEAARO COc1ccc(OC)c(COC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000012420198 401785547 /nfs/dbraw/zinc/78/55/47/401785547.db2.gz YIDIYJZNRWHQRF-HOCLYGCPSA-N 1 0 323.433 2.456 50 0 DEAARO COc1ccc(CC(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012442728 401786493 /nfs/dbraw/zinc/78/64/93/401786493.db2.gz RYGCNZOSUVYUBS-UHFFFAOYSA-N 1 0 304.434 2.474 50 0 DEAARO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012570897 401788447 /nfs/dbraw/zinc/78/84/47/401788447.db2.gz FTDSFGKPOVURII-INIZCTEOSA-N 1 0 313.401 2.420 50 0 DEAARO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccccc2Cl)CC1 ZINC000012904685 401793356 /nfs/dbraw/zinc/79/33/56/401793356.db2.gz AWQZPKZQQOJDLX-UHFFFAOYSA-N 1 0 323.868 2.372 50 0 DEAARO Cn1cccc1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077470872 401816710 /nfs/dbraw/zinc/81/67/10/401816710.db2.gz WKVFIJXUVLVULJ-UHFFFAOYSA-N 1 0 323.440 2.340 50 0 DEAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1cccc2ccccc21 ZINC000077521499 401818673 /nfs/dbraw/zinc/81/86/73/401818673.db2.gz CWUCGQFHWMWZHA-UHFFFAOYSA-N 1 0 323.396 2.056 50 0 DEAARO COC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016621923 401819762 /nfs/dbraw/zinc/81/97/62/401819762.db2.gz OMYRMCORADPMJL-OAHLLOKOSA-N 1 0 304.434 2.358 50 0 DEAARO CCC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020819086 401825117 /nfs/dbraw/zinc/82/51/17/401825117.db2.gz AGXFZDRRAZUHJX-QGZVFWFLSA-N 1 0 306.450 2.375 50 0 DEAARO CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)N1CCOCC1 ZINC000079311841 401872009 /nfs/dbraw/zinc/87/20/09/401872009.db2.gz JKPLWDNNLPJTJD-KRWDZBQOSA-N 1 0 302.418 2.245 50 0 DEAARO CC[NH+]1CCN(C2(CNC(=O)c3ccco3)CCCCC2)CC1 ZINC000028403220 401851822 /nfs/dbraw/zinc/85/18/22/401851822.db2.gz IXENLDUWFHNNRS-UHFFFAOYSA-N 1 0 319.449 2.350 50 0 DEAARO CC(C)=CC[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2CC(C)C ZINC000014534557 401812175 /nfs/dbraw/zinc/81/21/75/401812175.db2.gz KZVMIVNKSSUHJX-UHFFFAOYSA-N 1 0 307.438 2.337 50 0 DEAARO O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1CCC[NH2+]C1 ZINC000129933189 401812723 /nfs/dbraw/zinc/81/27/23/401812723.db2.gz MHSMQCIGKMXENF-NSHDSACASA-N 1 0 300.324 2.364 50 0 DEAARO CC[NH2+][C@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 ZINC000014744272 401813349 /nfs/dbraw/zinc/81/33/49/401813349.db2.gz WVMNORKCUVMJLX-AWEZNQCLSA-N 1 0 318.465 2.290 50 0 DEAARO C[N@H+](CCNC(=O)c1cc2ccccn2n1)C1CCCCC1 ZINC000032951709 401887146 /nfs/dbraw/zinc/88/71/46/401887146.db2.gz JDSKTOWCBDPYNG-UHFFFAOYSA-N 1 0 300.406 2.329 50 0 DEAARO COc1ccc(OC)c(COC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000035052940 401895027 /nfs/dbraw/zinc/89/50/27/401895027.db2.gz QTRBPWTVSGDPMB-HOCLYGCPSA-N 1 0 323.433 2.313 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H]3CCCO3)C2)c1 ZINC000081571102 401897225 /nfs/dbraw/zinc/89/72/25/401897225.db2.gz YLGIAIXDRWULOF-GDBMZVCRSA-N 1 0 320.433 2.393 50 0 DEAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000037116477 401910791 /nfs/dbraw/zinc/91/07/91/401910791.db2.gz AQBFFFDZNHZELE-QMMMGPOBSA-N 1 0 309.218 2.105 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000084938008 401912348 /nfs/dbraw/zinc/91/23/48/401912348.db2.gz QEFLKYWTCBKBGB-CYBMUJFWSA-N 1 0 308.403 2.148 50 0 DEAARO Cc1cc(CN(C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)no1 ZINC000044969375 401952587 /nfs/dbraw/zinc/95/25/87/401952587.db2.gz CEFRJELRBSSUBS-AWEZNQCLSA-N 1 0 322.434 2.489 50 0 DEAARO c1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c2c(c1)OCCCO2 ZINC000089774310 401962391 /nfs/dbraw/zinc/96/23/91/401962391.db2.gz RVJWLMVJQVMWEE-CQSZACIVSA-N 1 0 302.418 2.422 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000046445495 401969967 /nfs/dbraw/zinc/96/99/67/401969967.db2.gz XXSHJFQEYPJXST-UHFFFAOYSA-N 1 0 304.390 2.062 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc(OC)ccc21 ZINC000046742053 401972347 /nfs/dbraw/zinc/97/23/47/401972347.db2.gz PXMSFVCPTDPOFI-HNNXBMFYSA-N 1 0 315.417 2.250 50 0 DEAARO CC(C)[C@@H](NC(=O)CN1CC[N@H+](C)C[C@H]1C)c1cccs1 ZINC000089938968 401975860 /nfs/dbraw/zinc/97/58/60/401975860.db2.gz LKEGPJMBZLPZAP-CZUORRHYSA-N 1 0 309.479 2.197 50 0 DEAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000048367958 401999036 /nfs/dbraw/zinc/99/90/36/401999036.db2.gz JFBSTNHOKASZRU-JYJNAYRXSA-N 1 0 316.401 2.092 50 0 DEAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)o1 ZINC000044317583 401941274 /nfs/dbraw/zinc/94/12/74/401941274.db2.gz OIVIHRXZXKXSPE-VIFPVBQESA-N 1 0 313.195 2.256 50 0 DEAARO COc1cccc(CCNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000089375202 401944138 /nfs/dbraw/zinc/94/41/38/401944138.db2.gz BAYRKCLSNPABAJ-UHFFFAOYSA-N 1 0 319.449 2.221 50 0 DEAARO COc1ccccc1CC(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000121297164 402026302 /nfs/dbraw/zinc/02/63/02/402026302.db2.gz PLKWIAUYNGTFNZ-INIZCTEOSA-N 1 0 312.369 2.313 50 0 DEAARO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccnc2)ncn1 ZINC000095351538 402026508 /nfs/dbraw/zinc/02/65/08/402026508.db2.gz ZTJFVDHKBCYVFM-HIFRSBDPSA-N 1 0 312.421 2.233 50 0 DEAARO CCc1cnc(NCC2([NH+]3CCN(C)CC3)CCCCC2)nc1 ZINC000095379870 402030614 /nfs/dbraw/zinc/03/06/14/402030614.db2.gz PQSSMSJYXVHNKU-UHFFFAOYSA-N 1 0 317.481 2.401 50 0 DEAARO CCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378737 402030646 /nfs/dbraw/zinc/03/06/46/402030646.db2.gz ZYTOYPIKPKRXMB-QXAKKESOSA-N 1 0 314.429 2.494 50 0 DEAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(OCC)OCC)C1 ZINC000095941560 402035076 /nfs/dbraw/zinc/03/50/76/402035076.db2.gz KOXMGODERWQAFH-HUUCEWRRSA-N 1 0 314.470 2.402 50 0 DEAARO CC[C@H](O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000095976165 402040268 /nfs/dbraw/zinc/04/02/68/402040268.db2.gz FYDFVHKOBCBLNC-INIZCTEOSA-N 1 0 305.422 2.352 50 0 DEAARO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)n1 ZINC000052863701 402048451 /nfs/dbraw/zinc/04/84/51/402048451.db2.gz WTJPSWZBLQKQTJ-CYBMUJFWSA-N 1 0 306.410 2.006 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000053202635 402052345 /nfs/dbraw/zinc/05/23/45/402052345.db2.gz DOGYXNPMAKQCNX-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000053274895 402053479 /nfs/dbraw/zinc/05/34/79/402053479.db2.gz BQYRPUQOWHDASK-OAHLLOKOSA-N 1 0 312.417 2.461 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3cc(F)cc(F)c3)c2N)CC1 ZINC000096282004 402076140 /nfs/dbraw/zinc/07/61/40/402076140.db2.gz NJENMYYRXRNQJO-UHFFFAOYSA-N 1 0 319.359 2.146 50 0 DEAARO Cc1cc(C)cc(NC(=O)CC(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000055211278 402077887 /nfs/dbraw/zinc/07/78/87/402077887.db2.gz SEUCZGHJKIARIZ-INIZCTEOSA-N 1 0 317.433 2.233 50 0 DEAARO COC(=O)CCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096409568 402079378 /nfs/dbraw/zinc/07/93/78/402079378.db2.gz ZMWQPDJHLCGWQW-UHFFFAOYSA-N 1 0 318.417 2.176 50 0 DEAARO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)nn1C(C)(C)C ZINC000055377514 402081300 /nfs/dbraw/zinc/08/13/00/402081300.db2.gz DJRZXHYTLJAXHJ-ZDUSSCGKSA-N 1 0 306.454 2.408 50 0 DEAARO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCO3)cc21 ZINC000096418437 402081749 /nfs/dbraw/zinc/08/17/49/402081749.db2.gz HVJNDNPILWYXHY-MRXNPFEDSA-N 1 0 301.390 2.320 50 0 DEAARO CC(C)COCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421419 402082528 /nfs/dbraw/zinc/08/25/28/402082528.db2.gz OKRZQJMDPILEAQ-GVDBMIGSSA-N 1 0 323.481 2.175 50 0 DEAARO OC1(C[NH+](Cc2ccccn2)CC2(O)CCCC2)CCCC1 ZINC000096424226 402083355 /nfs/dbraw/zinc/08/33/55/402083355.db2.gz QHSUCTHPWDUHEM-UHFFFAOYSA-N 1 0 304.434 2.494 50 0 DEAARO Brc1cc2c(c(C[NH2+]CCn3ccnc3)c1)OCC2 ZINC000096501770 402097388 /nfs/dbraw/zinc/09/73/88/402097388.db2.gz HWGYJNAEJLGHBW-UHFFFAOYSA-N 1 0 322.206 2.370 50 0 DEAARO CCC(CC)[N@H+](CC(=O)Nc1ccccc1C(N)=O)C1CC1 ZINC000058268303 402099588 /nfs/dbraw/zinc/09/95/88/402099588.db2.gz ZPJPWWCQJLNRJU-UHFFFAOYSA-N 1 0 303.406 2.377 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)no1 ZINC000097112662 402108675 /nfs/dbraw/zinc/10/86/75/402108675.db2.gz IHWDAQDQJIKVRX-DGCLKSJQSA-N 1 0 301.346 2.076 50 0 DEAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000097141816 402110894 /nfs/dbraw/zinc/11/08/94/402110894.db2.gz XGCWMIYEYJSFIF-AAEUAGOBSA-N 1 0 322.371 2.071 50 0 DEAARO C[NH+]1CCC(Nc2ccccc2N2CCC(CO)CC2)CC1 ZINC000097142017 402111034 /nfs/dbraw/zinc/11/10/34/402111034.db2.gz VRNBNTGRBOYTJO-UHFFFAOYSA-N 1 0 303.450 2.401 50 0 DEAARO C[N@H+](CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1 ZINC000063116572 402111615 /nfs/dbraw/zinc/11/16/15/402111615.db2.gz FQRCPPXMRDKRBY-UHFFFAOYSA-N 1 0 304.438 2.340 50 0 DEAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000097159941 402112697 /nfs/dbraw/zinc/11/26/97/402112697.db2.gz YJZBKIYEFNQXLI-LLVKDONJSA-N 1 0 317.389 2.072 50 0 DEAARO COc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(CCO)c2C)cc1F ZINC000097159775 402112965 /nfs/dbraw/zinc/11/29/65/402112965.db2.gz FTDVHHYXZFRAEQ-LLVKDONJSA-N 1 0 321.396 2.491 50 0 DEAARO c1nc2c(c(N3CCOCC3)n1)C[N@H+](CC1CCCCC1)CC2 ZINC000097202445 402116711 /nfs/dbraw/zinc/11/67/11/402116711.db2.gz RRXVIHYOIWUBJU-UHFFFAOYSA-N 1 0 316.449 2.252 50 0 DEAARO Cn1nccc1-c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000096142281 402062145 /nfs/dbraw/zinc/06/21/45/402062145.db2.gz IKKSHUKUZDSIAP-OAHLLOKOSA-N 1 0 315.417 2.313 50 0 DEAARO CC[C@H](C)[C@H](C)[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 ZINC000065568685 402126205 /nfs/dbraw/zinc/12/62/05/402126205.db2.gz KPSUZVMICQKBSN-KBPBESRZSA-N 1 0 323.481 2.013 50 0 DEAARO CC[N@H+](Cc1c[nH]nc1-c1cc(C)ccc1C)[C@H]1COC[C@@H]1O ZINC000097618894 402128768 /nfs/dbraw/zinc/12/87/68/402128768.db2.gz VJNWXMSBJREVLO-IRXDYDNUSA-N 1 0 315.417 2.275 50 0 DEAARO COc1cc(C[N@H+](C)CCN2CCCCC2=O)cc(OC)c1 ZINC000097776207 402132748 /nfs/dbraw/zinc/13/27/48/402132748.db2.gz ORIVSIOBBBUBAJ-UHFFFAOYSA-N 1 0 306.406 2.148 50 0 DEAARO CC(C)(O)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000097372261 402122846 /nfs/dbraw/zinc/12/28/46/402122846.db2.gz RPXCXJOBRPQYCQ-UHFFFAOYSA-N 1 0 315.204 2.435 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCCO1 ZINC000097373444 402122961 /nfs/dbraw/zinc/12/29/61/402122961.db2.gz LVPMLGFLMWILHJ-JGGQBBKZSA-N 1 0 306.381 2.478 50 0 DEAARO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(O)c2)c1 ZINC000067010511 402150059 /nfs/dbraw/zinc/15/00/59/402150059.db2.gz YVRIHJQETBHPGY-LBPRGKRZSA-N 1 0 320.414 2.151 50 0 DEAARO C[C@H](C[NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067955232 402180755 /nfs/dbraw/zinc/18/07/55/402180755.db2.gz QWOLYBQUMLJERD-SNVBAGLBSA-N 1 0 321.327 2.363 50 0 DEAARO Cc1cc(CN2CC[NH+](CC(C)(C)O)CC2)c2ccccc2n1 ZINC000124461195 402181455 /nfs/dbraw/zinc/18/14/55/402181455.db2.gz MTKZGCFXBYWEHY-UHFFFAOYSA-N 1 0 313.445 2.432 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000124869877 402201628 /nfs/dbraw/zinc/20/16/28/402201628.db2.gz USLKJTBNQHZFLC-LLVKDONJSA-N 1 0 318.808 2.268 50 0 DEAARO C[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000153654224 402160601 /nfs/dbraw/zinc/16/06/01/402160601.db2.gz RSZXVEWSDGMGCH-UWVGGRQHSA-N 1 0 300.761 2.067 50 0 DEAARO C[C@@H](C[N@H+](C)Cc1ccc(-n2ccnc2)cc1)N1CCOCC1 ZINC000067560273 402162176 /nfs/dbraw/zinc/16/21/76/402162176.db2.gz GEALUZVGLDKENT-INIZCTEOSA-N 1 0 314.433 2.025 50 0 DEAARO Cc1nc(CC[NH3+])cc(N2CCc3c4ccccc4[nH]c3C2)n1 ZINC000067673900 402167322 /nfs/dbraw/zinc/16/73/22/402167322.db2.gz RTJNMHNEFIFZMY-UHFFFAOYSA-N 1 0 307.401 2.330 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067677892 402167337 /nfs/dbraw/zinc/16/73/37/402167337.db2.gz TZKCZMBXWZOEMG-GOSISDBHSA-N 1 0 316.449 2.466 50 0 DEAARO CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000067691637 402167820 /nfs/dbraw/zinc/16/78/20/402167820.db2.gz JMSCVTFDJYDWQM-AWEZNQCLSA-N 1 0 305.422 2.226 50 0 DEAARO Cc1cc(C)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)nc2c1O ZINC000067726098 402170441 /nfs/dbraw/zinc/17/04/41/402170441.db2.gz BQZRBBARYADOEX-CYBMUJFWSA-N 1 0 313.401 2.239 50 0 DEAARO CCSc1nc(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000067741134 402171018 /nfs/dbraw/zinc/17/10/18/402171018.db2.gz RUSWGBAFDIHLNH-NSHDSACASA-N 1 0 313.492 2.256 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C3CCC3)C[C@H]2CCO)c(F)c1 ZINC000104334068 402202942 /nfs/dbraw/zinc/20/29/42/402202942.db2.gz WFJRPSKTQLEMNK-MRXNPFEDSA-N 1 0 322.424 2.255 50 0 DEAARO CCc1oc(C(=O)N[C@@H](C)c2nc[nH]n2)cc1C[NH+]1CCCC1 ZINC000067843313 402175239 /nfs/dbraw/zinc/17/52/39/402175239.db2.gz XXYIBSOVWRVOKZ-NSHDSACASA-N 1 0 317.393 2.047 50 0 DEAARO C[C@H](Cn1cncn1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000067856401 402175731 /nfs/dbraw/zinc/17/57/31/402175731.db2.gz RMZLJRDRKSOPPH-LLVKDONJSA-N 1 0 301.325 2.251 50 0 DEAARO COC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000069420937 402222838 /nfs/dbraw/zinc/22/28/38/402222838.db2.gz MPKGEJPNPTYXGG-MRXNPFEDSA-N 1 0 316.401 2.174 50 0 DEAARO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H](C)[NH+](C)C ZINC000069420894 402223111 /nfs/dbraw/zinc/22/31/11/402223111.db2.gz DWKVNDZEDRIHAL-CHWSQXEVSA-N 1 0 317.437 2.391 50 0 DEAARO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000107355916 402230771 /nfs/dbraw/zinc/23/07/71/402230771.db2.gz XBJJHQDGFPXVLS-CPUCHLNUSA-N 1 0 321.469 2.291 50 0 DEAARO CN1CCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000069619998 402234515 /nfs/dbraw/zinc/23/45/15/402234515.db2.gz GCMBYKVKSKHGDD-CABCVRRESA-N 1 0 321.490 2.486 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000069624610 402235272 /nfs/dbraw/zinc/23/52/72/402235272.db2.gz WEUAKHCMWGGKCJ-FMKPAKJESA-N 1 0 321.396 2.310 50 0 DEAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3o2)CC1 ZINC000069630513 402235825 /nfs/dbraw/zinc/23/58/25/402235825.db2.gz GSJZOWZHGDFFGG-INIZCTEOSA-N 1 0 317.433 2.352 50 0 DEAARO Cc1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 ZINC000069654155 402236366 /nfs/dbraw/zinc/23/63/66/402236366.db2.gz FALWXGIQHRYACH-HNNXBMFYSA-N 1 0 322.416 2.442 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000069654173 402236482 /nfs/dbraw/zinc/23/64/82/402236482.db2.gz JPKKWEJDKKBFSE-YOEHRIQHSA-N 1 0 312.417 2.190 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1C ZINC000069667813 402237500 /nfs/dbraw/zinc/23/75/00/402237500.db2.gz WQIDVJQHZUIBOA-GJZGRUSLSA-N 1 0 304.438 2.126 50 0 DEAARO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000069770735 402243328 /nfs/dbraw/zinc/24/33/28/402243328.db2.gz SFEYDMPPDVLSRY-QGZVFWFLSA-N 1 0 311.385 2.110 50 0 DEAARO CC[C@@H]1CN(C[C@H](O)c2ccc(C)c(C)c2)CC[N@@H+]1CCOC ZINC000069810460 402244771 /nfs/dbraw/zinc/24/47/71/402244771.db2.gz SUSXZTHZFYUHNP-MOPGFXCFSA-N 1 0 320.477 2.379 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000069808065 402244856 /nfs/dbraw/zinc/24/48/56/402244856.db2.gz UUPFCBFWTZWMER-OAHLLOKOSA-N 1 0 310.401 2.221 50 0 DEAARO CC[NH+](CC)CCCNC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000069848615 402247919 /nfs/dbraw/zinc/24/79/19/402247919.db2.gz QNAZTECSDQBDEE-QGZVFWFLSA-N 1 0 314.433 2.321 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@H](C)n1cccn1 ZINC000069870259 402248230 /nfs/dbraw/zinc/24/82/30/402248230.db2.gz AAXZGTQOXUBXAH-WOPDTQHZSA-N 1 0 321.812 2.498 50 0 DEAARO COC(=O)c1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000069897476 402249787 /nfs/dbraw/zinc/24/97/87/402249787.db2.gz RUXRJHWNYUMOKE-INIZCTEOSA-N 1 0 316.401 2.174 50 0 DEAARO CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000069920042 402250958 /nfs/dbraw/zinc/25/09/58/402250958.db2.gz WICOXKLMZAMPEK-KRWDZBQOSA-N 1 0 316.445 2.022 50 0 DEAARO Cn1c(=O)c2sccc2nc1SC[C@H]1CCC[N@H+](C)C1 ZINC000070021372 402255499 /nfs/dbraw/zinc/25/54/99/402255499.db2.gz ULTWOOYTXJRVLM-JTQLQIEISA-N 1 0 309.460 2.429 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000070173574 402258316 /nfs/dbraw/zinc/25/83/16/402258316.db2.gz QSJTWCPTSDCNSM-MNOVXSKESA-N 1 0 302.827 2.088 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC000070877030 402266285 /nfs/dbraw/zinc/26/62/85/402266285.db2.gz OEDHHJUQPCOKMP-VIFPVBQESA-N 1 0 301.184 2.255 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000071142836 402270098 /nfs/dbraw/zinc/27/00/98/402270098.db2.gz HSIIOXIVLARTNC-NSHDSACASA-N 1 0 311.223 2.439 50 0 DEAARO C[NH+](C)CCCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O ZINC000071279600 402271706 /nfs/dbraw/zinc/27/17/06/402271706.db2.gz CSWPZRPDQAGUMF-UHFFFAOYSA-N 1 0 323.396 2.104 50 0 DEAARO C[C@@H]([NH3+])CC(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000071315095 402273062 /nfs/dbraw/zinc/27/30/62/402273062.db2.gz TVQQDTSBAKZFKD-CQSZACIVSA-N 1 0 312.417 2.072 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2ccn(C)n2)CCC[N@@H+]1CC1CC1 ZINC000071552285 402275662 /nfs/dbraw/zinc/27/56/62/402275662.db2.gz SGLILZLUTAYHRU-INIZCTEOSA-N 1 0 304.438 2.003 50 0 DEAARO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC000071576133 402275691 /nfs/dbraw/zinc/27/56/91/402275691.db2.gz IBQMGKSAUXGWIP-MRXNPFEDSA-N 1 0 318.392 2.485 50 0 DEAARO C[C@H]1C[N@H+](CCc2ccncc2)CCN1CCc1ccncc1 ZINC000071794317 402278377 /nfs/dbraw/zinc/27/83/77/402278377.db2.gz SAGPNGDKPYDMDF-KRWDZBQOSA-N 1 0 310.445 2.268 50 0 DEAARO CCOC(=O)c1nc(N2CC[NH+](CC)CC2)cc(C(C)(C)C)n1 ZINC000225815389 402324230 /nfs/dbraw/zinc/32/42/30/402324230.db2.gz XFKHHXDLKXMNOQ-UHFFFAOYSA-N 1 0 320.437 2.093 50 0 DEAARO CN1C[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)CCC1=O ZINC000225807136 402324362 /nfs/dbraw/zinc/32/43/62/402324362.db2.gz LOHXGNCPEYBGQU-VIFPVBQESA-N 1 0 320.286 2.435 50 0 DEAARO COc1ccccc1[C@@H](O)C[NH2+]Cc1cccc2c1OCO2 ZINC000071819631 402281659 /nfs/dbraw/zinc/28/16/59/402281659.db2.gz QCZOZIVPEIVRTG-AWEZNQCLSA-N 1 0 301.342 2.247 50 0 DEAARO C[N@H+](CCCn1cccn1)Cc1cnc(-c2ccccn2)nc1 ZINC000215194914 402281901 /nfs/dbraw/zinc/28/19/01/402281901.db2.gz PAFFNYFATUBICP-UHFFFAOYSA-N 1 0 308.389 2.257 50 0 DEAARO CN(Cc1cnn(-c2cccc(Cl)c2)c1)C[C@H]1COCCO1 ZINC000215660036 402284174 /nfs/dbraw/zinc/28/41/74/402284174.db2.gz OSMCRHYPPFVHDO-INIZCTEOSA-N 1 0 321.808 2.373 50 0 DEAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc2c1OCO2 ZINC000071831309 402285224 /nfs/dbraw/zinc/28/52/24/402285224.db2.gz HIAIULMMCNBXJW-AWEZNQCLSA-N 1 0 301.342 2.247 50 0 DEAARO C[NH+](C)C[C@H]1COCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000216099745 402286682 /nfs/dbraw/zinc/28/66/82/402286682.db2.gz GVKUVNWSVMHCQL-CYBMUJFWSA-N 1 0 300.805 2.489 50 0 DEAARO CCOc1ccc2nc(C[N@H+](C)C[C@H]3COCCO3)ccc2c1 ZINC000216148822 402287209 /nfs/dbraw/zinc/28/72/09/402287209.db2.gz HKHHVIKBBYNRCR-KRWDZBQOSA-N 1 0 316.401 2.481 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000216292297 402287599 /nfs/dbraw/zinc/28/75/99/402287599.db2.gz CAMUVIUTNCXFAW-QGZVFWFLSA-N 1 0 316.445 2.371 50 0 DEAARO COc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000071857215 402288804 /nfs/dbraw/zinc/28/88/04/402288804.db2.gz GBCHXBVHJQUXPD-OAHLLOKOSA-N 1 0 320.437 2.010 50 0 DEAARO O=C([C@@H](O)c1ccccc1Cl)N1CC([NH+]2CCCCC2)C1 ZINC000223577382 402311548 /nfs/dbraw/zinc/31/15/48/402311548.db2.gz ADNAOHVHSJBSEG-HNNXBMFYSA-N 1 0 308.809 2.070 50 0 DEAARO COc1ccc(-c2noc(CCc3c[nH]cn3)n2)c(OC)c1 ZINC000225507073 402319372 /nfs/dbraw/zinc/31/93/72/402319372.db2.gz ZMEARRMOLUFDKA-UHFFFAOYSA-N 1 0 300.318 2.262 50 0 DEAARO Cc1nc2ccc(N3CC[C@H](CNc4cccc(C)[nH+]4)C3)nn2n1 ZINC000225539637 402320328 /nfs/dbraw/zinc/32/03/28/402320328.db2.gz AWKOWMOUQIAFQR-CQSZACIVSA-N 1 0 323.404 2.075 50 0 DEAARO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000229337193 402342137 /nfs/dbraw/zinc/34/21/37/402342137.db2.gz DQJYMJAJFNYYCM-STQMWFEESA-N 1 0 314.426 2.148 50 0 DEAARO Cc1cc(CN2CCN(C[C@@H](O)c3ccccc3)[C@@H](C)C2)no1 ZINC000229375790 402342611 /nfs/dbraw/zinc/34/26/11/402342611.db2.gz XNEAUBIBRLOSRJ-KBXCAEBGSA-N 1 0 315.417 2.223 50 0 DEAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000229941799 402346222 /nfs/dbraw/zinc/34/62/22/402346222.db2.gz YPMFMGUBLZJKFP-OIISXLGYSA-N 1 0 306.475 2.280 50 0 DEAARO Cn1cc([C@@H]([NH2+]CCC2OCCO2)c2ccc(F)cc2)cn1 ZINC000185415757 402351098 /nfs/dbraw/zinc/35/10/98/402351098.db2.gz QAOMKGSINBXQQG-INIZCTEOSA-N 1 0 305.353 2.001 50 0 DEAARO CC(C)c1nccn1CCCNC(=O)CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000244795079 402449620 /nfs/dbraw/zinc/44/96/20/402449620.db2.gz 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/nfs/dbraw/zinc/50/32/33/402503233.db2.gz FMZFHLTYTCVINS-RYUDHWBXSA-N 1 0 307.463 2.465 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179002333 402563582 /nfs/dbraw/zinc/56/35/82/402563582.db2.gz ZCHITOQRPCKKGX-LLVKDONJSA-N 1 0 318.808 2.412 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000179007391 402564045 /nfs/dbraw/zinc/56/40/45/402564045.db2.gz ICOPBLFFLOCGJY-GFCCVEGCSA-N 1 0 318.808 2.207 50 0 DEAARO COc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1 ZINC000248150630 402584141 /nfs/dbraw/zinc/58/41/41/402584141.db2.gz VNHZAVGTWWHQEM-DOTOQJQBSA-N 1 0 301.390 2.090 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCOCC1 ZINC000248861974 402611695 /nfs/dbraw/zinc/61/16/95/402611695.db2.gz PTNFNJSPAZPVQX-RHSMWYFYSA-N 1 0 302.418 2.050 50 0 DEAARO CN1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1=O ZINC000248961656 402615845 /nfs/dbraw/zinc/61/58/45/402615845.db2.gz CAQGAIBEYMJSLE-RDBSUJKOSA-N 1 0 312.772 2.129 50 0 DEAARO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000252549995 402658429 /nfs/dbraw/zinc/65/84/29/402658429.db2.gz RYUJRCHJOFVXFL-PBHICJAKSA-N 1 0 319.380 2.263 50 0 DEAARO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC1(C)COC1 ZINC000252495600 402655923 /nfs/dbraw/zinc/65/59/23/402655923.db2.gz OUHWYOKVGJOWHY-OAHLLOKOSA-N 1 0 306.406 2.381 50 0 DEAARO CCCNC(=O)C[N@H+]([C@@H](CC)CO)[C@@H]1CCc2ccccc2C1 ZINC000252496310 402656260 /nfs/dbraw/zinc/65/62/60/402656260.db2.gz PGHQQYLGADSKRF-ZWKOTPCHSA-N 1 0 318.461 2.143 50 0 DEAARO [NH3+][C@@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000252506279 402657384 /nfs/dbraw/zinc/65/73/84/402657384.db2.gz VYGLRLGLKWZTMZ-STMXVASLSA-N 1 0 300.811 2.064 50 0 DEAARO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000192216432 402717594 /nfs/dbraw/zinc/71/75/94/402717594.db2.gz DNUMWOAYCTZYMW-KRWDZBQOSA-N 1 0 302.418 2.194 50 0 DEAARO NC(=O)c1c[nH+]ccc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000253425614 402666009 /nfs/dbraw/zinc/66/60/09/402666009.db2.gz 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Clc1ccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)s1 ZINC000299763724 403568182 /nfs/dbraw/zinc/56/81/82/403568182.db2.gz ZYAAHAIDYFOGEN-NWDGAFQWSA-N 1 0 310.810 2.339 50 0 DEAARO Cn1cc(CCC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000299772678 403570421 /nfs/dbraw/zinc/57/04/21/403570421.db2.gz AEWWTAJRUIALPS-UHFFFAOYSA-N 1 0 318.465 2.220 50 0 DEAARO Cc1nnc(-c2ccc(NC(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000299775889 403572330 /nfs/dbraw/zinc/57/23/30/403572330.db2.gz LMWURSUBYKMDJN-UHFFFAOYSA-N 1 0 315.377 2.262 50 0 DEAARO O=C(c1cccc(-c2ccncc2F)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299783264 403574559 /nfs/dbraw/zinc/57/45/59/403574559.db2.gz ZOZDHNUNGMJSHC-WMLDXEAASA-N 1 0 311.360 2.322 50 0 DEAARO Cc1cc(N2CCn3nc(CNc4ncccn4)cc3C2)cc[nH+]1 ZINC000299785328 403574702 /nfs/dbraw/zinc/57/47/02/403574702.db2.gz YAONMTJWPJRRBP-UHFFFAOYSA-N 1 0 321.388 2.009 50 0 DEAARO CC(C)([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000294253295 403683783 /nfs/dbraw/zinc/68/37/83/403683783.db2.gz PGKBERWJELOJKJ-AWEZNQCLSA-N 1 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UXALFAKMQDXZBC-UHFFFAOYSA-N 1 0 306.435 2.050 50 0 DEAARO Cc1nc[nH]c1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000426701504 405375170 /nfs/dbraw/zinc/37/51/70/405375170.db2.gz XAMAEASGQVPEQP-INIZCTEOSA-N 1 0 324.428 2.356 50 0 DEAARO C[C@H](c1ccc(-c2cnc3ncnn3c2)cc1)[NH+]1CCOCC1 ZINC000426701540 405375205 /nfs/dbraw/zinc/37/52/05/405375205.db2.gz CNECSNJAZXTPQJ-CYBMUJFWSA-N 1 0 309.373 2.185 50 0 DEAARO COC(=O)c1cc(CN[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)on1 ZINC000583651441 405780416 /nfs/dbraw/zinc/78/04/16/405780416.db2.gz NDHWZZMMZAMSEF-WBMJQRKESA-N 1 0 317.389 2.242 50 0 DEAARO Cc1cnc(-c2cccnc2)n1CCNC(=O)c1cccn1C ZINC000575553736 406811924 /nfs/dbraw/zinc/81/19/24/406811924.db2.gz GNBLADDILXFMMY-UHFFFAOYSA-N 1 0 309.373 2.022 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnns2)[C@@H]1c1cccs1 ZINC000129725379 196070761 /nfs/dbraw/zinc/07/07/61/196070761.db2.gz BXXAXXMMXFJJJC-ZWNOBZJWSA-N 1 0 322.459 2.413 50 0 DEAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000130917077 196123293 /nfs/dbraw/zinc/12/32/93/196123293.db2.gz PKNKPBIBZKDRGK-HNNXBMFYSA-N 1 0 318.417 2.120 50 0 DEAARO CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000179109859 224884513 /nfs/dbraw/zinc/88/45/13/224884513.db2.gz AAFFPIPBQBAXGO-CQSZACIVSA-N 1 0 318.808 2.019 50 0 DEAARO FC(F)COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000239351861 225213833 /nfs/dbraw/zinc/21/38/33/225213833.db2.gz AADFKJCGJNPHOK-KGLIPLIRSA-N 1 0 311.376 2.442 50 0 DEAARO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000299741816 229376830 /nfs/dbraw/zinc/37/68/30/229376830.db2.gz GHSYEAWICJAVJI-DKZVVXNFSA-N 1 0 316.298 2.435 50 0 DEAARO Nc1nscc1C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000299781157 229436048 /nfs/dbraw/zinc/43/60/48/229436048.db2.gz LKCQTMUIBJTAFG-UHFFFAOYSA-N 1 0 308.451 2.110 50 0 DEAARO Cc1[nH]nc2ncc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc12 ZINC000048353999 424832979 /nfs/dbraw/zinc/83/29/79/424832979.db2.gz PKPBQJHUMDUWNZ-HNNXBMFYSA-N 1 0 300.337 2.229 50 0 DEAARO O=C(NCCCOCc1ccco1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044967160 424814843 /nfs/dbraw/zinc/81/48/43/424814843.db2.gz DAPLLRNSYSNNPA-HZPDHXFCSA-N 1 0 321.421 2.112 50 0 DEAARO COc1ccc([C@@H](O)C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000048710181 424834797 /nfs/dbraw/zinc/83/47/97/424834797.db2.gz OZPLNEROAGZMGP-INIZCTEOSA-N 1 0 303.406 2.470 50 0 DEAARO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1CC1 ZINC000049238180 424835446 /nfs/dbraw/zinc/83/54/46/424835446.db2.gz XHPRNZPJDHSERG-UHFFFAOYSA-N 1 0 322.206 2.299 50 0 DEAARO CC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1OCC(=O)NC ZINC000048750062 424835960 /nfs/dbraw/zinc/83/59/60/424835960.db2.gz MHQQMQKVMULGAS-MRXNPFEDSA-N 1 0 313.401 2.447 50 0 DEAARO O=C(N[C@@H]1CCc2ccc(F)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101387743 424847013 /nfs/dbraw/zinc/84/70/13/424847013.db2.gz RXAIGYVYBQSQOM-DOTOQJQBSA-N 1 0 315.392 2.469 50 0 DEAARO [NH2+]=C1c2ccccc2CN1NC(=O)CN1CCCc2ccccc21 ZINC000102231115 424847632 /nfs/dbraw/zinc/84/76/32/424847632.db2.gz 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274969736 /nfs/dbraw/zinc/96/97/36/274969736.db2.gz YKNVIOCSNDKNOH-UHFFFAOYSA-N 1 0 321.384 2.386 50 0 DEAARO c1cnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)nc1 ZINC000024014041 275073589 /nfs/dbraw/zinc/07/35/89/275073589.db2.gz UGAFKESDRAXYDE-UHFFFAOYSA-N 1 0 305.385 2.347 50 0 DEAARO C[NH+](C)C1(CNC(=O)C[C@@H]2CCc3ccccc32)CCOCC1 ZINC000092081376 276766239 /nfs/dbraw/zinc/76/62/39/276766239.db2.gz URSLZQOOHFGICJ-INIZCTEOSA-N 1 0 316.445 2.334 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058391481 278092044 /nfs/dbraw/zinc/09/20/44/278092044.db2.gz SEMQRYOEXCJFNN-AWEZNQCLSA-N 1 0 319.497 2.183 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1N(C)C ZINC000221714218 278262131 /nfs/dbraw/zinc/26/21/31/278262131.db2.gz KTGXAIFCTSVXJI-ZQIUZPCESA-N 1 0 319.449 2.039 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CCCS(=O)(=O)c1ccccc1)n1cccn1 ZINC000069951287 278304159 /nfs/dbraw/zinc/30/41/59/278304159.db2.gz VFUHPACGHFQOEK-LSDHHAIUSA-N 1 0 321.446 2.286 50 0 DEAARO 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C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1cccc(CO)c1 ZINC000828827571 783862116 /nfs/dbraw/zinc/86/21/16/783862116.db2.gz FNSKBGQPFHHNCK-CQSZACIVSA-N 1 0 323.396 2.067 50 0 DEAARO CCn1ccc(C(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000581798450 784779091 /nfs/dbraw/zinc/77/90/91/784779091.db2.gz NAOJJHRJSFMZSV-SJLPKXTDSA-N 1 0 324.428 2.250 50 0 DEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1CS(=O)(=O)C1 ZINC000585116711 789704112 /nfs/dbraw/zinc/70/41/12/789704112.db2.gz GPBGTVMYMCXRQE-UHFFFAOYSA-N 1 0 324.229 2.136 50 0 DEAARO Cn1c(C[NH2+]C[C@H]2CSCCS2)cnc1Br ZINC000585118274 789704622 /nfs/dbraw/zinc/70/46/22/789704622.db2.gz ISBIEYSCZASNTJ-VIFPVBQESA-N 1 0 322.297 2.121 50 0 DEAARO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000585117222 789704719 /nfs/dbraw/zinc/70/47/19/789704719.db2.gz VJVBICNBEHPKRY-ZDUSSCGKSA-N 1 0 319.405 2.341 50 0 DEAARO Cc1nnc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000585121442 789707963 /nfs/dbraw/zinc/70/79/63/789707963.db2.gz 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/nfs/dbraw/zinc/85/15/33/792851533.db2.gz BOYBTZTXLVLVLW-UHFFFAOYSA-N 1 0 304.510 2.332 50 0 DEAARO CC[C@@H](C(=O)Nc1ccc(C(=O)NC(C)C)cc1)[N@H+](C)CC ZINC000952991269 792877219 /nfs/dbraw/zinc/87/72/19/792877219.db2.gz MMHIPABNMAKYML-HNNXBMFYSA-N 1 0 305.422 2.494 50 0 DEAARO C=CS(=O)(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000667988065 794095694 /nfs/dbraw/zinc/09/56/94/794095694.db2.gz TWBMHQDCNISWIZ-CQSZACIVSA-N 1 0 322.430 2.038 50 0 DEAARO COc1c(F)cccc1C[N@@H+]1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529095177 1070849313 /nfs/dbraw/zinc/84/93/13/1070849313.db2.gz NAUZHAPKDJSUNI-WBVHZDCISA-N 1 0 316.376 2.265 50 0 DEAARO Cc1cnc(C)c(N2CCCO[C@H](C[NH+]3CCCCC3)C2)n1 ZINC001506397521 1061936242 /nfs/dbraw/zinc/93/62/42/1061936242.db2.gz DBSNBOLYLZMGJR-MRXNPFEDSA-N 1 0 304.438 2.175 50 0 DEAARO Cn1ccnc1CC[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC001506399099 1061939389 /nfs/dbraw/zinc/93/93/89/1061939389.db2.gz JWBXMIAPISRDMR-MRXNPFEDSA-N 1 0 300.406 2.039 50 0 DEAARO Cc1nc(N)nc(N2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC001506431668 1061978328 /nfs/dbraw/zinc/97/83/28/1061978328.db2.gz UOWRRVGERQCSKB-UHFFFAOYSA-N 1 0 309.845 2.333 50 0 DEAARO CC[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)[N@H+](C)CC ZINC000822555790 1090637644 /nfs/dbraw/zinc/63/76/44/1090637644.db2.gz NIWPCASBKZXMOL-INIZCTEOSA-N 1 0 317.433 2.160 50 0 DEAARO C[NH+]1CCC(CNC(=O)Cc2ccncc2)(c2ccccc2)CC1 ZINC000823759376 1090696632 /nfs/dbraw/zinc/69/66/32/1090696632.db2.gz CHPDCQATPDXOSQ-UHFFFAOYSA-N 1 0 323.440 2.404 50 0 DEAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000091691564 282084153 /nfs/dbraw/zinc/08/41/53/282084153.db2.gz NQDJKTNVGUDCRI-LJQANCHMSA-N 1 0 324.428 2.383 50 0 DEAARO Cc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cs1 ZINC000095518237 185376689 /nfs/dbraw/zinc/37/66/89/185376689.db2.gz VOMAECPPVUFLKV-ZIAGYGMSSA-N 1 0 305.447 2.398 50 0 DEAARO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n(C2CCCC2)n1 ZINC000095521835 185377561 /nfs/dbraw/zinc/37/75/61/185377561.db2.gz FEUNPDQGWGGVDF-CQSZACIVSA-N 1 0 305.426 2.474 50 0 DEAARO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1 ZINC000278484455 214183666 /nfs/dbraw/zinc/18/36/66/214183666.db2.gz KLHIANJSXBRJKC-AWEZNQCLSA-N 1 0 303.406 2.404 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N(C)[C@@H]2CCc3ccccc32)CC1 ZINC000079335583 185165670 /nfs/dbraw/zinc/16/56/70/185165670.db2.gz MIMQXSJMIRJIRF-GOSISDBHSA-N 1 0 315.461 2.160 50 0 DEAARO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc4occc4c3)C2=O)n(C)n1 ZINC000286568736 219057968 /nfs/dbraw/zinc/05/79/68/219057968.db2.gz PLBKFGHSANZDHQ-OAHLLOKOSA-N 1 0 324.384 2.370 50 0 DEAARO CCc1c(C(=O)N2CCC[C@H](C[NH2+]C)C2)cnn1C(C)(C)C ZINC000299740319 529475467 /nfs/dbraw/zinc/47/54/67/529475467.db2.gz YJUCZQZSIAKUGV-CYBMUJFWSA-N 1 0 306.454 2.272 50 0 DEAARO CC[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000089948265 185270761 /nfs/dbraw/zinc/27/07/61/185270761.db2.gz MUJPOKXODISERW-GDBMZVCRSA-N 1 0 311.470 2.365 50 0 DEAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cnc2cc(C)ccn12 ZINC000089949122 185271069 /nfs/dbraw/zinc/27/10/69/185271069.db2.gz DIAAHGAMMMKHBH-RDJZCZTQSA-N 1 0 314.433 2.379 50 0 DEAARO CS[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CCS(=O)CC1 ZINC000090114316 185282802 /nfs/dbraw/zinc/28/28/02/185282802.db2.gz ZIVPYHIFFIIAHD-ZIAGYGMSSA-N 1 0 318.552 2.093 50 0 DEAARO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090115978 185282931 /nfs/dbraw/zinc/28/29/31/185282931.db2.gz AJVUUMTZESNQJS-DZGCQCFKSA-N 1 0 316.405 2.119 50 0 DEAARO CNC(=O)c1cccc(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000095401994 185354587 /nfs/dbraw/zinc/35/45/87/185354587.db2.gz QYFPEYXKPIIQHV-CYBMUJFWSA-N 1 0 304.419 2.218 50 0 DEAARO CN1CCN(c2ncc(C[NH2+]C3(c4ccccc4)CC3)cn2)CC1 ZINC000095416658 185358920 /nfs/dbraw/zinc/35/89/20/185358920.db2.gz WJPAVEXUPPXLHJ-UHFFFAOYSA-N 1 0 323.444 2.007 50 0 DEAARO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1 ZINC000095420636 185360201 /nfs/dbraw/zinc/36/02/01/185360201.db2.gz LIRFIIGGNGCLCO-CYBMUJFWSA-N 1 0 314.389 2.270 50 0 DEAARO O=C(c1cc(Cl)c[nH]1)N1CC[NH+]([C@H]2CCCSC2)CC1 ZINC000095457037 185370311 /nfs/dbraw/zinc/37/03/11/185370311.db2.gz WXSSCSRPMZSDCY-LBPRGKRZSA-N 1 0 313.854 2.322 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C1 ZINC000097019587 185397991 /nfs/dbraw/zinc/39/79/91/185397991.db2.gz LVYBXJPKNUDKQN-LBPRGKRZSA-N 1 0 305.378 2.046 50 0 DEAARO Cc1nn(C)cc1C(=O)NC[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000071576240 282293830 /nfs/dbraw/zinc/29/38/30/282293830.db2.gz YNBRJAQHUXXPAA-INIZCTEOSA-N 1 0 300.406 2.070 50 0 DEAARO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000085357798 539399908 /nfs/dbraw/zinc/39/99/08/539399908.db2.gz NCLFDRWXJXSAIO-JSGCOSHPSA-N 1 0 307.825 2.116 50 0 DEAARO CN(Cc1ccsc1)C(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000248114688 530014071 /nfs/dbraw/zinc/01/40/71/530014071.db2.gz LABZDHFMMKOSGK-BETUJISGSA-N 1 0 319.434 2.054 50 0 DEAARO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)N2CCCCCC2)[nH]n1 ZINC000090528135 539416057 /nfs/dbraw/zinc/41/60/57/539416057.db2.gz ZRWOQHGIVKWCFI-KGLIPLIRSA-N 1 0 306.454 2.420 50 0 DEAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000091373353 539419844 /nfs/dbraw/zinc/41/98/44/539419844.db2.gz VMQKPHYAQBSKET-OLZOCXBDSA-N 1 0 310.825 2.108 50 0 DEAARO C[C@H](Cc1cnccn1)NC(=O)CC[NH+]1CCCCCCC1 ZINC000063833579 190699453 /nfs/dbraw/zinc/69/94/53/190699453.db2.gz HLQMGYIDXKUOFA-OAHLLOKOSA-N 1 0 304.438 2.180 50 0 DEAARO Cc1ccc([C@H](CNC(=O)CCc2cnccn2)[NH+](C)C)cc1 ZINC000279618266 215009474 /nfs/dbraw/zinc/00/94/74/215009474.db2.gz GOZTWEIXOUBUIR-KRWDZBQOSA-N 1 0 312.417 2.137 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000070173459 190867394 /nfs/dbraw/zinc/86/73/94/190867394.db2.gz CMISFPJTAQWMJQ-VHSXEESVSA-N 1 0 320.817 2.227 50 0 DEAARO COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C2)c1 ZINC000170049023 539614230 /nfs/dbraw/zinc/61/42/30/539614230.db2.gz VBPXMKAPCMIYAV-BLLLJJGKSA-N 1 0 320.433 2.393 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOC[C@@H]1C ZINC000170041663 539614290 /nfs/dbraw/zinc/61/42/90/539614290.db2.gz RQWVXQOUPHLFNW-TVYYEHBDSA-N 1 0 324.490 2.184 50 0 DEAARO CC(C)(C(=O)NC[C@@H](O)c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000170059817 539614308 /nfs/dbraw/zinc/61/43/08/539614308.db2.gz UTBZXVTUGZMIDO-SWLSCSKDSA-N 1 0 308.397 2.001 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N1CC[C@H]([NH3+])C1 ZINC000255053471 282611080 /nfs/dbraw/zinc/61/10/80/282611080.db2.gz GDERNBYLSCLDPK-RXNFCKPNSA-N 1 0 310.829 2.074 50 0 DEAARO OCC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCC1 ZINC000184366317 539667663 /nfs/dbraw/zinc/66/76/63/539667663.db2.gz SLSVILHPKIXWGC-KRWDZBQOSA-N 1 0 305.418 2.497 50 0 DEAARO O=C(c1cc[nH]c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072130822 191045028 /nfs/dbraw/zinc/04/50/28/191045028.db2.gz DONKMUXFTOQNLM-GOSISDBHSA-N 1 0 309.413 2.330 50 0 DEAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000072149986 191056492 /nfs/dbraw/zinc/05/64/92/191056492.db2.gz AGAHHINEARWRAQ-AWEZNQCLSA-N 1 0 305.422 2.390 50 0 DEAARO COCc1ncc(C[N@@H+]2CCCN(c3ccccc3)CC2)cn1 ZINC000072152018 191058099 /nfs/dbraw/zinc/05/80/99/191058099.db2.gz IYODBFDSUBBPEP-UHFFFAOYSA-N 1 0 312.417 2.335 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000072167523 191067313 /nfs/dbraw/zinc/06/73/13/191067313.db2.gz AEGKYQWZSHEDNQ-INIZCTEOSA-N 1 0 312.417 2.429 50 0 DEAARO CC[NH+](CC)CCNS(=O)(=O)c1cccc(CSC)c1 ZINC000072240363 191084393 /nfs/dbraw/zinc/08/43/93/191084393.db2.gz AIIRMUSLMGNRPW-UHFFFAOYSA-N 1 0 316.492 2.170 50 0 DEAARO CCCc1c(C(=O)N[C@@H](C)CC[NH+](C)C)[nH]c(C)c1C(=O)OC ZINC000072281873 191102887 /nfs/dbraw/zinc/10/28/87/191102887.db2.gz NBYSJCHSICHIBP-NSHDSACASA-N 1 0 323.437 2.132 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cnc(-c3ccccc3)s2)C1 ZINC000225632159 186285055 /nfs/dbraw/zinc/28/50/55/186285055.db2.gz OGENRCFGFPJQJQ-NWDGAFQWSA-N 1 0 303.387 2.126 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000237441977 186289295 /nfs/dbraw/zinc/28/92/95/186289295.db2.gz IDUXCWYSFNZYFE-JAGRNKBHSA-N 1 0 300.402 2.221 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237450500 186291123 /nfs/dbraw/zinc/29/11/23/186291123.db2.gz SKYINRQUBYRGFD-DYVFJYSZSA-N 1 0 312.417 2.380 50 0 DEAARO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(F)c3cccnc13)CC2 ZINC000072302424 191115210 /nfs/dbraw/zinc/11/52/10/191115210.db2.gz RWAVNIQHOUSBCG-UHFFFAOYSA-N 1 0 324.359 2.026 50 0 DEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000072411645 191154012 /nfs/dbraw/zinc/15/40/12/191154012.db2.gz GNVPKNGILSEQEA-IBGZPJMESA-N 1 0 321.461 2.099 50 0 DEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072411644 191154171 /nfs/dbraw/zinc/15/41/71/191154171.db2.gz GNVPKNGILSEQEA-LJQANCHMSA-N 1 0 321.461 2.099 50 0 DEAARO c1ccc(C2=CCN(c3ncnc4c3CC[NH2+]CC4)CC2)cc1 ZINC000072419389 191156722 /nfs/dbraw/zinc/15/67/22/191156722.db2.gz AQOUWAVCAWYXKY-UHFFFAOYSA-N 1 0 306.413 2.459 50 0 DEAARO C[C@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)C[NH+](C)C ZINC000072431298 191163606 /nfs/dbraw/zinc/16/36/06/191163606.db2.gz YBJGDRCVWSZZEF-CQSZACIVSA-N 1 0 306.450 2.318 50 0 DEAARO Cc1ccc(NC(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1C(C)C ZINC000299755807 539860023 /nfs/dbraw/zinc/86/00/23/539860023.db2.gz FAEHYYHBGRPXLP-QGZVFWFLSA-N 1 0 305.422 2.354 50 0 DEAARO Cc1c(C)n(C[C@H](O)C[NH2+]C[C@@H]2CCCO2)c2ccccc12 ZINC000004189295 181083418 /nfs/dbraw/zinc/08/34/18/181083418.db2.gz LITRHYXJMAYHDP-CVEARBPZSA-N 1 0 302.418 2.388 50 0 DEAARO CCCn1cc(C(=O)NCC[NH+]2CCCC2)c2cccnc21 ZINC000065216836 354679689 /nfs/dbraw/zinc/67/96/89/354679689.db2.gz OJZRBUFRFSHEJA-UHFFFAOYSA-N 1 0 300.406 2.272 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)CSCC(=O)c2ccccc2)C1 ZINC000072273295 354899660 /nfs/dbraw/zinc/89/96/60/354899660.db2.gz IQPQGBIJHBNHKQ-AWEZNQCLSA-N 1 0 320.458 2.061 50 0 DEAARO O=c1c2[nH]c3ccc(F)cc3c2ncn1CC[NH+]1CCCC1 ZINC000004834556 181159458 /nfs/dbraw/zinc/15/94/58/181159458.db2.gz QUALBBCJPKPRSQ-UHFFFAOYSA-N 1 0 300.337 2.113 50 0 DEAARO Cc1nc(NC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)sc1C ZINC000075606732 355096088 /nfs/dbraw/zinc/09/60/88/355096088.db2.gz GOLMKYLBCXNYGN-MWLCHTKSSA-N 1 0 307.423 2.134 50 0 DEAARO C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CN1C1CC1 ZINC000079073648 355295308 /nfs/dbraw/zinc/29/53/08/355295308.db2.gz IPTGHYXYGVCAFM-WBMJQRKESA-N 1 0 320.408 2.450 50 0 DEAARO COc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000005007155 181189590 /nfs/dbraw/zinc/18/95/90/181189590.db2.gz OLBCDTHFPKMXLC-UHFFFAOYSA-N 1 0 318.417 2.404 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)C1 ZINC000005050544 181196865 /nfs/dbraw/zinc/19/68/65/181196865.db2.gz MYTGYLYFMWBPSL-FMKPAKJESA-N 1 0 321.417 2.271 50 0 DEAARO C[NH2+]Cc1ccccc1OCC(=O)Nc1ccccc1OC ZINC000005064523 181199460 /nfs/dbraw/zinc/19/94/60/181199460.db2.gz IIFGNDDLRDZZRX-UHFFFAOYSA-N 1 0 300.358 2.432 50 0 DEAARO CC(C)OC[C@H](O)C[NH+]1CCN([C@H](C)c2ccccc2F)CC1 ZINC000097228759 355703252 /nfs/dbraw/zinc/70/32/52/355703252.db2.gz GLVNZRGYBUMWCB-HZPDHXFCSA-N 1 0 324.440 2.290 50 0 DEAARO CC(C)OC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000097228756 355703301 /nfs/dbraw/zinc/70/33/01/355703301.db2.gz GLVNZRGYBUMWCB-JKSUJKDBSA-N 1 0 324.440 2.290 50 0 DEAARO C[C@@H](C[NH2+]Cc1sccc1Br)N1CCOCC1 ZINC000097378270 355705042 /nfs/dbraw/zinc/70/50/42/355705042.db2.gz XWMXDBFJGZJMBT-JTQLQIEISA-N 1 0 319.268 2.321 50 0 DEAARO C[NH+](C)C[C@@H]1CN(C(=O)c2ccsc2)CC12CCOCC2 ZINC000097942780 355706770 /nfs/dbraw/zinc/70/67/70/355706770.db2.gz YXZGHXJIAGKJKT-CQSZACIVSA-N 1 0 308.447 2.179 50 0 DEAARO COc1ccc2oc(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2c1 ZINC000110697903 355745034 /nfs/dbraw/zinc/74/50/34/355745034.db2.gz LMXCSVHOAPXFTI-YOEHRIQHSA-N 1 0 316.401 2.394 50 0 DEAARO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000170595640 355986838 /nfs/dbraw/zinc/98/68/38/355986838.db2.gz JNYHCAGIAFAYMC-AWEZNQCLSA-N 1 0 315.421 2.184 50 0 DEAARO C[Si](C)(C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC000170616837 355989832 /nfs/dbraw/zinc/98/98/32/355989832.db2.gz SWQQRKCHRCQGFP-OAHLLOKOSA-N 1 0 304.510 2.119 50 0 DEAARO COc1ccc(OC)c(CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000195543179 356256319 /nfs/dbraw/zinc/25/63/19/356256319.db2.gz BGEYVNRPIDZXST-OCCSQVGLSA-N 1 0 318.417 2.322 50 0 DEAARO CC(C)[C@H](O)CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000195565096 356257671 /nfs/dbraw/zinc/25/76/71/356257671.db2.gz YLUPYHREGRSTFZ-BHYGNILZSA-N 1 0 304.434 2.030 50 0 DEAARO O=C(C1CCC([NH2+]C[C@@H]2CCC=CO2)CC1)N1CCSCC1 ZINC000225583408 356276313 /nfs/dbraw/zinc/27/63/13/356276313.db2.gz DPTADEPXAAKINJ-GPANFISMSA-N 1 0 324.490 2.403 50 0 DEAARO COC(=O)[C@@H](O)C1CCN(Cc2cc(Cl)cs2)CC1 ZINC000194434705 356238950 /nfs/dbraw/zinc/23/89/50/356238950.db2.gz WWGVLUHWPKQNQD-LBPRGKRZSA-N 1 0 303.811 2.147 50 0 DEAARO CCOc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000236900998 202061564 /nfs/dbraw/zinc/06/15/64/202061564.db2.gz RXQDJGUWAZKVTP-TZMCWYRMSA-N 1 0 306.406 2.293 50 0 DEAARO CC[C@](C)(O)Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000585091524 540256375 /nfs/dbraw/zinc/25/63/75/540256375.db2.gz SWORWGMSPIIYCP-MSOLQXFVSA-N 1 0 314.433 2.429 50 0 DEAARO CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)ONC(=O)OC(C)(C)C ZINC000398695737 356720708 /nfs/dbraw/zinc/72/07/08/356720708.db2.gz DOISBRIUEYEGJC-MJBXVCDLSA-N 1 0 316.442 2.482 50 0 DEAARO CC[C@](C)(O)Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000585091526 540256640 /nfs/dbraw/zinc/25/66/40/540256640.db2.gz SWORWGMSPIIYCP-ROUUACIJSA-N 1 0 314.433 2.429 50 0 DEAARO COc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)ccc1C ZINC000237245940 202202701 /nfs/dbraw/zinc/20/27/01/202202701.db2.gz ZSCRLDXKYQKMGJ-LBPRGKRZSA-N 1 0 316.323 2.256 50 0 DEAARO C[C@@H](CCNC(=O)N(C)CC[NH+]1CCCCCC1)n1ccnc1 ZINC000584897322 357329652 /nfs/dbraw/zinc/32/96/52/357329652.db2.gz WFTBUQPVSRXHRA-INIZCTEOSA-N 1 0 321.469 2.352 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNC(=O)N2CC(c3ccncc3)C2)C1 ZINC000584896724 357329730 /nfs/dbraw/zinc/32/97/30/357329730.db2.gz DDSVMKXDXSXGFQ-HNNXBMFYSA-N 1 0 316.449 2.312 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000584902083 357331491 /nfs/dbraw/zinc/33/14/91/357331491.db2.gz TZCJYWDTVTYTOT-UHFFFAOYSA-N 1 0 321.396 2.099 50 0 DEAARO O=C(CCc1cn[nH]c1)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000584902045 357331811 /nfs/dbraw/zinc/33/18/11/357331811.db2.gz DKYCIVLUTPYZCO-UHFFFAOYSA-N 1 0 304.438 2.257 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000585137231 357337186 /nfs/dbraw/zinc/33/71/86/357337186.db2.gz NJDFTFZGUOMPCX-HNNXBMFYSA-N 1 0 311.813 2.260 50 0 DEAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000585141809 357338480 /nfs/dbraw/zinc/33/84/80/357338480.db2.gz GIARYGYTZJJRAH-HNNXBMFYSA-N 1 0 317.368 2.297 50 0 DEAARO COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000089314125 192765348 /nfs/dbraw/zinc/76/53/48/192765348.db2.gz YFQLKSZYFCMTRT-UONOGXRCSA-N 1 0 309.435 2.205 50 0 DEAARO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000237835148 202365935 /nfs/dbraw/zinc/36/59/35/202365935.db2.gz CNPXDDUNDUXBJQ-HOTGVXAUSA-N 1 0 306.381 2.323 50 0 DEAARO Cc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(Cl)cc1F ZINC000237789499 202356479 /nfs/dbraw/zinc/35/64/79/202356479.db2.gz PEKYKPHUGXVYKO-JTQLQIEISA-N 1 0 320.817 2.065 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000237912624 202389927 /nfs/dbraw/zinc/38/99/27/202389927.db2.gz ZFVNOWSWHJEVFY-IXDOHACOSA-N 1 0 302.418 2.179 50 0 DEAARO c1cnn(CCC[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000670435490 540932639 /nfs/dbraw/zinc/93/26/39/540932639.db2.gz CRSWDFJHEGVAOK-UHFFFAOYSA-N 1 0 311.389 2.237 50 0 DEAARO CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000670438264 540933442 /nfs/dbraw/zinc/93/34/42/540933442.db2.gz ZKVKSFVUFWPFDS-CYBMUJFWSA-N 1 0 322.430 2.364 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCCNc1cnc2ccccc2n1 ZINC000670447545 540934646 /nfs/dbraw/zinc/93/46/46/540934646.db2.gz AEEANWLMYIKCNX-AWEZNQCLSA-N 1 0 300.406 2.279 50 0 DEAARO Cc1sc2ncn([C@@H]3COC4(C3)CC[NH2+]CC4)c(=O)c2c1C ZINC000670449452 540935236 /nfs/dbraw/zinc/93/52/36/540935236.db2.gz YFNINGXEWMQVNR-LBPRGKRZSA-N 1 0 319.430 2.158 50 0 DEAARO O=C(C1CCC1)N1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000670453642 540935763 /nfs/dbraw/zinc/93/57/63/540935763.db2.gz IQOMYFBDLNZUPP-ZWKOTPCHSA-N 1 0 319.493 2.195 50 0 DEAARO COCc1nc([C@H]2CCC[N@H+](C)C2)n(-c2ccccc2F)n1 ZINC000670453633 540935814 /nfs/dbraw/zinc/93/58/14/540935814.db2.gz SSOGNODYEOEZPV-LBPRGKRZSA-N 1 0 304.369 2.362 50 0 DEAARO CC[NH+]1CCN(Cc2ncnn2Cc2ccccc2Cl)CC1 ZINC000670460428 540936978 /nfs/dbraw/zinc/93/69/78/540936978.db2.gz ZOLWHRHIZQSLGX-UHFFFAOYSA-N 1 0 319.840 2.117 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000063193997 296028016 /nfs/dbraw/zinc/02/80/16/296028016.db2.gz GQSHTBLBNLQMOM-BXKDBHETSA-N 1 0 320.817 2.370 50 0 DEAARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(C)c1F ZINC000193306456 201025890 /nfs/dbraw/zinc/02/58/90/201025890.db2.gz WLZMMEGAPMXODN-UHFFFAOYSA-N 1 0 314.426 2.287 50 0 DEAARO CCOC1CC(C[NH2+]Cc2ccsc2)(N2CCOCC2)C1 ZINC000195460336 201391963 /nfs/dbraw/zinc/39/19/63/201391963.db2.gz RCYQEXIKRIXNSG-UHFFFAOYSA-N 1 0 310.463 2.108 50 0 DEAARO COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1F ZINC000090883073 192941665 /nfs/dbraw/zinc/94/16/65/192941665.db2.gz KJASPJOCKCBSKJ-NSHDSACASA-N 1 0 315.410 2.310 50 0 DEAARO Cc1c(C)n(-c2ccccc2)c2ncn(CC[NH+](C)C)c(=N)c12 ZINC000006662087 181367188 /nfs/dbraw/zinc/36/71/88/181367188.db2.gz FJHQJSPBYGSFFK-UHFFFAOYSA-N 1 0 309.417 2.485 50 0 DEAARO Cc1c(C)n(Cc2ccco2)c2ncn(CC[NH+](C)C)c(=N)c12 ZINC000006719864 181376726 /nfs/dbraw/zinc/37/67/26/181376726.db2.gz UURXPERBURFJEB-UHFFFAOYSA-N 1 0 313.405 2.137 50 0 DEAARO CC[NH+]1CCC(NC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000006741165 181380445 /nfs/dbraw/zinc/38/04/45/181380445.db2.gz ZHOCBLGDJFAJHP-UHFFFAOYSA-N 1 0 307.394 2.310 50 0 DEAARO NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1ccccc1 ZINC000006743445 181381286 /nfs/dbraw/zinc/38/12/86/181381286.db2.gz ZWZSPCZJQBZNRJ-UHFFFAOYSA-N 1 0 304.777 2.494 50 0 DEAARO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCC(C(N)=O)CC3)c2c1 ZINC000006759455 181384722 /nfs/dbraw/zinc/38/47/22/181384722.db2.gz KVHDVVNHKWIXAJ-UHFFFAOYSA-N 1 0 314.385 2.107 50 0 DEAARO Cc1ccccc1CN(CCO)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000091289081 193031479 /nfs/dbraw/zinc/03/14/79/193031479.db2.gz IKJVJKDGGASWTD-KRWDZBQOSA-N 1 0 318.461 2.438 50 0 DEAARO COc1cccc([C@H]2CN(C(=O)c3cc(C)oc3C)C[C@@H]2[NH3+])c1 ZINC000091364906 193046408 /nfs/dbraw/zinc/04/64/08/193046408.db2.gz YGZBRUAENYFFML-SJORKVTESA-N 1 0 314.385 2.472 50 0 DEAARO COc1cc(CCC(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)ccc1C ZINC000091380869 193048415 /nfs/dbraw/zinc/04/84/15/193048415.db2.gz ZJMIQHMPCPLVKA-CVEARBPZSA-N 1 0 302.418 2.132 50 0 DEAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000091425007 193053672 /nfs/dbraw/zinc/05/36/72/193053672.db2.gz GQBILBZBOVXVQU-QGZVFWFLSA-N 1 0 311.397 2.445 50 0 DEAARO CCCn1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000091526923 193069878 /nfs/dbraw/zinc/06/98/78/193069878.db2.gz SIOVNFHQIJPLTR-CYBMUJFWSA-N 1 0 304.438 2.300 50 0 DEAARO OC[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091548026 193071438 /nfs/dbraw/zinc/07/14/38/193071438.db2.gz MJEXDGFIMWSGKR-HZPDHXFCSA-N 1 0 308.853 2.476 50 0 DEAARO Cc1cc(C)c2[nH]c(C[NH2+]C[C@@H](O)c3ccccn3)cc(=O)c2c1 ZINC000091663657 193087171 /nfs/dbraw/zinc/08/71/71/193087171.db2.gz VXIXBPCKXJZZSN-GOSISDBHSA-N 1 0 323.396 2.363 50 0 DEAARO COc1cccc(CN2CC3(CC[NH2+]CC3)CCC2=O)c1OC ZINC000091830680 193114433 /nfs/dbraw/zinc/11/44/33/193114433.db2.gz JXGZKHXSOUHBTN-UHFFFAOYSA-N 1 0 318.417 2.196 50 0 DEAARO CCSc1cncc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000096429493 193638178 /nfs/dbraw/zinc/63/81/78/193638178.db2.gz HIPSQPGDWPQMHK-CQSZACIVSA-N 1 0 322.478 2.137 50 0 DEAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000011754585 181703840 /nfs/dbraw/zinc/70/38/40/181703840.db2.gz ZMDGEUBVLRIKHL-KRWDZBQOSA-N 1 0 307.397 2.397 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000016604282 182052459 /nfs/dbraw/zinc/05/24/59/182052459.db2.gz NUQILBVWOLUZFK-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO CCCC[NH2+][C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000020130608 182190218 /nfs/dbraw/zinc/19/02/18/182190218.db2.gz SUTQGESBJYQYBD-OAHLLOKOSA-N 1 0 304.390 2.497 50 0 DEAARO C[N@@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@@H]1CCO ZINC000020514690 182226637 /nfs/dbraw/zinc/22/66/37/182226637.db2.gz QCGWDLNQDRDQLU-KRWDZBQOSA-N 1 0 300.402 2.445 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@@H]1CCO ZINC000020538575 182228867 /nfs/dbraw/zinc/22/88/67/182228867.db2.gz CZHDEHFPDKKDDH-INIZCTEOSA-N 1 0 308.470 2.058 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC000022693947 182331037 /nfs/dbraw/zinc/33/10/37/182331037.db2.gz VSYCNEHMXCJXST-NSHDSACASA-N 1 0 300.786 2.020 50 0 DEAARO OCC1CC[NH+]([C@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000022851238 182336725 /nfs/dbraw/zinc/33/67/25/182336725.db2.gz JNDNDUNUEAPIJK-IBGZPJMESA-N 1 0 302.462 2.398 50 0 DEAARO COc1ccc([C@H](C[NH2+]Cc2cccnc2)N(C)C)cc1OC ZINC000022924281 182340964 /nfs/dbraw/zinc/34/09/64/182340964.db2.gz LXDVGHVTFKNJIO-INIZCTEOSA-N 1 0 315.417 2.491 50 0 DEAARO C[C@H]1C[NH+](CCCNC(=O)Nc2ccccc2F)C[C@H](C)O1 ZINC000024989650 182397654 /nfs/dbraw/zinc/39/76/54/182397654.db2.gz OITMCHWUPWTIQX-STQMWFEESA-N 1 0 309.385 2.447 50 0 DEAARO CN(Cc1ccccc1Br)C(=O)C1CC[NH2+]CC1 ZINC000037798047 182926765 /nfs/dbraw/zinc/92/67/65/182926765.db2.gz OEABMBMQLSFMEF-UHFFFAOYSA-N 1 0 311.223 2.407 50 0 DEAARO Nc1nc(Cl)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000040051229 183029874 /nfs/dbraw/zinc/02/98/74/183029874.db2.gz XKGFTUBDUDIZRN-GFCCVEGCSA-N 1 0 303.797 2.399 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccsc1 ZINC000040089496 183033036 /nfs/dbraw/zinc/03/30/36/183033036.db2.gz WCTHJGXFTAGIPX-CQSZACIVSA-N 1 0 319.430 2.249 50 0 DEAARO CCc1nn2c(nc(C[N@H+]([C@H](C)C3CC3)C3CC3)cc2=O)s1 ZINC000040540543 183097395 /nfs/dbraw/zinc/09/73/95/183097395.db2.gz YNFQVIZKXXOUIF-SNVBAGLBSA-N 1 0 318.446 2.476 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000040598164 183107337 /nfs/dbraw/zinc/10/73/37/183107337.db2.gz KYAGBYGSBXRDKS-JTQLQIEISA-N 1 0 320.817 2.099 50 0 DEAARO Cc1noc(-c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)n1 ZINC000043108799 183338480 /nfs/dbraw/zinc/33/84/80/183338480.db2.gz OYAHGFIHMZNJLP-UHFFFAOYSA-N 1 0 302.378 2.115 50 0 DEAARO Cc1nnc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000043407944 183358674 /nfs/dbraw/zinc/35/86/74/183358674.db2.gz WSPPBGDPUFGATA-UHFFFAOYSA-N 1 0 317.418 2.026 50 0 DEAARO CCn1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000043645839 183377162 /nfs/dbraw/zinc/37/71/62/183377162.db2.gz HEMYNDCNSQSUJU-GFCCVEGCSA-N 1 0 307.423 2.389 50 0 DEAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000104350324 194001030 /nfs/dbraw/zinc/00/10/30/194001030.db2.gz IQUZOWNWBDPFPT-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000106159007 194189529 /nfs/dbraw/zinc/18/95/29/194189529.db2.gz FZXJHZVYERREGZ-HOCLYGCPSA-N 1 0 318.417 2.255 50 0 DEAARO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C(=O)OC ZINC000106582960 194234825 /nfs/dbraw/zinc/23/48/25/194234825.db2.gz OGWAYYNODBKGDD-CHWSQXEVSA-N 1 0 324.396 2.134 50 0 DEAARO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 ZINC000110704560 194352228 /nfs/dbraw/zinc/35/22/28/194352228.db2.gz MSSCMYBIZDMZRI-KCXAZCMYSA-N 1 0 301.394 2.271 50 0 DEAARO C[NH+](C)CCCNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000055175867 183968991 /nfs/dbraw/zinc/96/89/91/183968991.db2.gz BSVGQKDOJRAKIN-UHFFFAOYSA-N 1 0 301.390 2.342 50 0 DEAARO NC(=O)C1CC[NH+](CCCNCc2cccc(Cl)c2)CC1 ZINC000058148043 184080972 /nfs/dbraw/zinc/08/09/72/184080972.db2.gz UPLLLXYNTVKLDV-UHFFFAOYSA-N 1 0 309.841 2.017 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1ccnc1)c1ccco1 ZINC000058354802 184107997 /nfs/dbraw/zinc/10/79/97/184107997.db2.gz HAWLLWSFXXOADU-KBPBESRZSA-N 1 0 304.394 2.236 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 ZINC000058405221 184113607 /nfs/dbraw/zinc/11/36/07/184113607.db2.gz QQSUFEJPICUNOF-QWHCGFSZSA-N 1 0 314.389 2.047 50 0 DEAARO COc1c(C[NH2+]C[C@@H](O)c2ccccc2)c(C(C)C)nn1C ZINC000058406849 184114122 /nfs/dbraw/zinc/11/41/22/184114122.db2.gz IIMMFWAGPHPXIL-OAHLLOKOSA-N 1 0 303.406 2.375 50 0 DEAARO COc1cc([C@@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)ccc1O ZINC000062001505 184200473 /nfs/dbraw/zinc/20/04/73/184200473.db2.gz AIOSPJIQOLXBIF-FUHWJXTLSA-N 1 0 310.353 2.325 50 0 biogenic DEAARO COc1cc([C@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)ccc1O ZINC000062001506 184200574 /nfs/dbraw/zinc/20/05/74/184200574.db2.gz AIOSPJIQOLXBIF-AEFFLSMTSA-N 1 0 310.353 2.325 50 0 biogenic DEAARO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158242454 197256182 /nfs/dbraw/zinc/25/61/82/197256182.db2.gz JUWVITFSMYYUSW-QWRGUYRKSA-N 1 0 316.323 2.422 50 0 DEAARO O[C@H](C[NH2+]Cc1cccc(F)c1)COc1ccc2c(c1)OCO2 ZINC000063523805 184284298 /nfs/dbraw/zinc/28/42/98/184284298.db2.gz UYGUHVUOGMBZGT-CQSZACIVSA-N 1 0 319.332 2.084 50 0 DEAARO O=C(Cn1ccnc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000065288877 184323525 /nfs/dbraw/zinc/32/35/25/184323525.db2.gz ULRGEUZCODLILD-MRXNPFEDSA-N 1 0 304.438 2.140 50 0 DEAARO O=C(c1cccc(NCc2ccc(F)cc2)c1)N1CC[NH2+]CC1 ZINC000065407400 184339249 /nfs/dbraw/zinc/33/92/49/184339249.db2.gz GSNYAQBOSMKXOW-UHFFFAOYSA-N 1 0 313.376 2.483 50 0 DEAARO Cn1ncc2c1nc(C[N@@H+]1CCC[C@@H]1CC(C)(C)C)[nH]c2=O ZINC000065411512 184339728 /nfs/dbraw/zinc/33/97/28/184339728.db2.gz IXEVDBJCETXIGI-LLVKDONJSA-N 1 0 303.410 2.470 50 0 DEAARO Cc1nonc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065457152 184347367 /nfs/dbraw/zinc/34/73/67/184347367.db2.gz LEVQKBWAGUTFQW-AWEZNQCLSA-N 1 0 320.437 2.381 50 0 DEAARO CC(=O)NCC1=CCC[N@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000065403407 184336919 /nfs/dbraw/zinc/33/69/19/184336919.db2.gz GCUHWEYOOTYFBB-UHFFFAOYSA-N 1 0 300.271 2.342 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)NCCc2cnc3ccccn23)CC1 ZINC000065403459 184337004 /nfs/dbraw/zinc/33/70/04/184337004.db2.gz IFDWQQIWGDLZMU-UHFFFAOYSA-N 1 0 314.433 2.113 50 0 DEAARO O=C([C@@H]1CCC[N@@H+]1CCc1cccs1)N1CCSCC1 ZINC000065565432 184367343 /nfs/dbraw/zinc/36/73/43/184367343.db2.gz MIMWMYDIQGEWJZ-AWEZNQCLSA-N 1 0 310.488 2.330 50 0 DEAARO CCC(CC)(CNC(=O)C(=O)Nc1ccc(F)c(C)c1)[NH+](C)C ZINC000065603783 184371463 /nfs/dbraw/zinc/37/14/63/184371463.db2.gz SGSNUAUVFAWMOC-UHFFFAOYSA-N 1 0 323.412 2.309 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCCOC ZINC000066124609 184391007 /nfs/dbraw/zinc/39/10/07/184391007.db2.gz MQEDFXVTBMTHHB-CQSZACIVSA-N 1 0 308.422 2.172 50 0 DEAARO Cc1cc2c(c(-c3nccnc3N3CCCC3)c1)O[C@H](C[NH3+])C2 ZINC000067675159 184477707 /nfs/dbraw/zinc/47/77/07/184477707.db2.gz LCLDVKPFIKRZLI-AWEZNQCLSA-N 1 0 310.401 2.314 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000158511856 197279699 /nfs/dbraw/zinc/27/96/99/197279699.db2.gz KGXOMCRXZXHDSH-HNNXBMFYSA-N 1 0 322.836 2.338 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2csc(Br)c2)C1 ZINC000158035561 197237655 /nfs/dbraw/zinc/23/76/55/197237655.db2.gz OXDVYIBVIRMFPE-HMDXOVGESA-N 1 0 315.236 2.474 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(N(C)C)cc1 ZINC000097679796 285202153 /nfs/dbraw/zinc/20/21/53/285202153.db2.gz JURLCCUPSZRTCJ-KRWDZBQOSA-N 1 0 303.450 2.286 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2occc2Br)C1 ZINC000156397187 197110280 /nfs/dbraw/zinc/11/02/80/197110280.db2.gz LXXVLOSEVCATGO-BDAKNGLRSA-N 1 0 301.184 2.242 50 0 DEAARO OCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426428228 285260574 /nfs/dbraw/zinc/26/05/74/285260574.db2.gz FLSZMKIIOISHBL-KRWDZBQOSA-N 1 0 310.388 2.245 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237494682 257238267 /nfs/dbraw/zinc/23/82/67/257238267.db2.gz WZIGFEQVUVRLKQ-JQWIXIFHSA-N 1 0 316.323 2.422 50 0 DEAARO Cc1csc(N2CCC(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)CC2)n1 ZINC000237640643 257238562 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COc1ccc(CNC(=O)c2cc3c(C)nccc3[nH]c2=O)cc1 ZINC000003030030 401720686 /nfs/dbraw/zinc/72/06/86/401720686.db2.gz IVDMFHFCXOBZBI-UHFFFAOYSA-N 1 0 323.352 2.170 50 0 DEAARO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097877 401748480 /nfs/dbraw/zinc/74/84/80/401748480.db2.gz ISMSAIOPOJGFHN-UHFFFAOYSA-N 1 0 320.396 2.454 50 0 DEAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1 ZINC000004355039 401726193 /nfs/dbraw/zinc/72/61/93/401726193.db2.gz DBIBOHDZBLHHAB-UHFFFAOYSA-N 1 0 322.416 2.266 50 0 DEAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCC2 ZINC000007000331 401735375 /nfs/dbraw/zinc/73/53/75/401735375.db2.gz VQDXOFDWJAACIG-UHFFFAOYSA-N 1 0 317.389 2.350 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000071864404 401688609 /nfs/dbraw/zinc/68/86/09/401688609.db2.gz BNDPVZPMOIWCMW-LSDHHAIUSA-N 1 0 315.417 2.229 50 0 DEAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1nc3ccccc3n1C)CC2 ZINC000071871848 401689799 /nfs/dbraw/zinc/68/97/99/401689799.db2.gz ZTVQPEYFCNCCKX-ZDUSSCGKSA-N 1 0 324.432 2.393 50 0 DEAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000000240454 401691684 /nfs/dbraw/zinc/69/16/84/401691684.db2.gz TWINAQGAIHIRHU-OAHLLOKOSA-N 1 0 318.417 2.496 50 0 DEAARO O[C@@H](COc1ccccc1)CN1c2ccccc2N2CC[NH+]=C12 ZINC000000301975 401694171 /nfs/dbraw/zinc/69/41/71/401694171.db2.gz LANOFCYDNTXDBD-CQSZACIVSA-N 1 0 309.369 2.123 50 0 DEAARO CN(CC1CCC1)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1 ZINC000071897787 401694687 /nfs/dbraw/zinc/69/46/87/401694687.db2.gz JCQFOLDMVKQOEB-UHFFFAOYSA-N 1 0 324.513 2.233 50 0 DEAARO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1OCC(C)C ZINC000126470672 401695497 /nfs/dbraw/zinc/69/54/97/401695497.db2.gz PWKDQWVDABYFRH-ZDUSSCGKSA-N 1 0 306.406 2.164 50 0 DEAARO CC[N@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)NC ZINC000071911875 401696118 /nfs/dbraw/zinc/69/61/18/401696118.db2.gz KGSRFYVNEFJOAY-UHFFFAOYSA-N 1 0 313.401 2.236 50 0 DEAARO COc1cc(C(=O)O[C@H](C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000000531405 401700483 /nfs/dbraw/zinc/70/04/83/401700483.db2.gz MXLXLDMDPYBBDH-GFCCVEGCSA-N 1 0 323.389 2.354 50 0 DEAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000072298349 401707896 /nfs/dbraw/zinc/70/78/96/401707896.db2.gz NILAFZYGZMVKHO-WBVHZDCISA-N 1 0 300.406 2.299 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000002888939 401719644 /nfs/dbraw/zinc/71/96/44/401719644.db2.gz LTQJKHIHHJDLLD-STQMWFEESA-N 1 0 304.390 2.374 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc(C(=O)OC)c1 ZINC000013149763 401797172 /nfs/dbraw/zinc/79/71/72/401797172.db2.gz OXFUKHSHXROZHB-HZPDHXFCSA-N 1 0 321.417 2.477 50 0 DEAARO Cc1ncc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)s1 ZINC000076514200 401798024 /nfs/dbraw/zinc/79/80/24/401798024.db2.gz FJYXEYRSXCYHCD-OAHLLOKOSA-N 1 0 306.431 2.461 50 0 DEAARO C[NH+]1CCN(c2nc(-c3ccc4ccccc4c3)cc(=O)[nH]2)CC1 ZINC000013535593 401800849 /nfs/dbraw/zinc/80/08/49/401800849.db2.gz MTVSDPIJXLJWOA-UHFFFAOYSA-N 1 0 320.396 2.342 50 0 DEAARO O[C@@H](COc1ccccc1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482800 401801700 /nfs/dbraw/zinc/80/17/00/401801700.db2.gz JQIFEVWQKCCWBS-NVXWUHKLSA-N 1 0 301.390 2.377 50 0 DEAARO CCc1nc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)no1 ZINC000077287408 401808924 /nfs/dbraw/zinc/80/89/24/401808924.db2.gz QIUDALMMWNSGCM-INIZCTEOSA-N 1 0 312.417 2.312 50 0 DEAARO C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)Cc1ccccc1 ZINC000008342201 401751984 /nfs/dbraw/zinc/75/19/84/401751984.db2.gz YHWGRZYSBOGIOJ-QGZVFWFLSA-N 1 0 322.416 2.247 50 0 DEAARO Nc1ncccc1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077286163 401809198 /nfs/dbraw/zinc/80/91/98/401809198.db2.gz ARYNXHYETGKXQN-UHFFFAOYSA-N 1 0 322.456 2.339 50 0 DEAARO Cc1cc(C)cc(C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000008973493 401758277 /nfs/dbraw/zinc/75/82/77/401758277.db2.gz YEBRHSLEVKSDSE-UHFFFAOYSA-N 1 0 324.428 2.304 50 0 DEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]C1CCCC1 ZINC000011813622 401777073 /nfs/dbraw/zinc/77/70/73/401777073.db2.gz 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Cc1cccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000015184209 401816439 /nfs/dbraw/zinc/81/64/39/401816439.db2.gz QEWXPKUSAMTWDC-UHFFFAOYSA-N 1 0 315.417 2.339 50 0 DEAARO COc1ccc(C[N@H+](C)Cc2ccn(C)c(=O)c2)c(OC)c1 ZINC000042112938 401931293 /nfs/dbraw/zinc/93/12/93/401931293.db2.gz VXGLEISPJHBINC-UHFFFAOYSA-N 1 0 302.374 2.035 50 0 DEAARO COc1ccc([C@H](CNC(=O)c2cccn2C)[NH+](C)C)cc1 ZINC000032668069 401881557 /nfs/dbraw/zinc/88/15/57/401881557.db2.gz READXKMYYJGGDD-INIZCTEOSA-N 1 0 301.390 2.066 50 0 DEAARO CCc1nn2c(nc(C[N@H+](C)C3CCCCC3)cc2=O)s1 ZINC000032753178 401882743 /nfs/dbraw/zinc/88/27/43/401882743.db2.gz ZUHLTBXKOWQXPL-UHFFFAOYSA-N 1 0 306.435 2.478 50 0 DEAARO CC[C@H](CNC(=O)[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000032817239 401883652 /nfs/dbraw/zinc/88/36/52/401883652.db2.gz YXJQMONNZFKGNR-SJORKVTESA-N 1 0 302.418 2.119 50 0 DEAARO O=C(c1cccc(CO)n1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082087838 401899637 /nfs/dbraw/zinc/89/96/37/401899637.db2.gz ICSWTBWLJNHZJR-INIZCTEOSA-N 1 0 317.433 2.055 50 0 DEAARO O=C(c1ccccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103386 401902743 /nfs/dbraw/zinc/90/27/43/401902743.db2.gz CXUFUXBOOBXIOI-UHFFFAOYSA-N 1 0 306.381 2.010 50 0 DEAARO Cc1nnc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000084291496 401904337 /nfs/dbraw/zinc/90/43/37/401904337.db2.gz OCZIYLDMXKMFRL-ZIAGYGMSSA-N 1 0 322.453 2.089 50 0 DEAARO Cn1nccc1[C@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000089741118 401959879 /nfs/dbraw/zinc/95/98/79/401959879.db2.gz LZHADVCFWKXTGE-ZDUSSCGKSA-N 1 0 324.388 2.245 50 0 DEAARO COC(C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1)OC ZINC000136781949 401973817 /nfs/dbraw/zinc/97/38/17/401973817.db2.gz YBRYQADRTVCEFO-OAHLLOKOSA-N 1 0 305.374 2.434 50 0 DEAARO CC(=O)N1CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000089937403 401975033 /nfs/dbraw/zinc/97/50/33/401975033.db2.gz YYOXAHWGSFWBPW-DYVFJYSZSA-N 1 0 300.402 2.309 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc3c(C)cccn23)[C@@H](C)C1 ZINC000089941566 401976167 /nfs/dbraw/zinc/97/61/67/401976167.db2.gz RCOCUPYDPDYETD-GOEBONIOSA-N 1 0 314.433 2.379 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cncc(Br)c1 ZINC000046995744 401977505 /nfs/dbraw/zinc/97/75/05/401977505.db2.gz IHJSOCJGOCQQFX-CHWSQXEVSA-N 1 0 324.222 2.201 50 0 DEAARO CCOC(=O)CCC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000138623610 401987806 /nfs/dbraw/zinc/98/78/06/401987806.db2.gz FDBXSADTMWNFAQ-QWHCGFSZSA-N 1 0 308.426 2.387 50 0 DEAARO O=C(c1cc(F)ccc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048363182 401999301 /nfs/dbraw/zinc/99/93/01/401999301.db2.gz YBSVBOJTMWPZDX-UHFFFAOYSA-N 1 0 324.371 2.149 50 0 DEAARO CCCCCC[NH+]1CCC(Cn2cc(C[C@@H](C)O)nn2)CC1 ZINC000048170826 401994808 /nfs/dbraw/zinc/99/48/08/401994808.db2.gz GTYLDMMILMWJCS-OAHLLOKOSA-N 1 0 308.470 2.494 50 0 DEAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)o1 ZINC000044317584 401941074 /nfs/dbraw/zinc/94/10/74/401941074.db2.gz OIVIHRXZXKXSPE-SECBINFHSA-N 1 0 313.195 2.256 50 0 DEAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000044502200 401943801 /nfs/dbraw/zinc/94/38/01/401943801.db2.gz BGALBXYBCVFDTR-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000089406849 401945075 /nfs/dbraw/zinc/94/50/75/401945075.db2.gz TXGHUHMIVOIEGD-BPLDGKMQSA-N 1 0 320.458 2.451 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151019322 402011118 /nfs/dbraw/zinc/01/11/18/402011118.db2.gz LGOKITCKVCPOMK-GFCCVEGCSA-N 1 0 316.323 2.338 50 0 DEAARO CCc1c(C)[nH+]c(N)nc1N1CC(c2nc3ccccc3[nH]2)C1 ZINC000095354414 402027322 /nfs/dbraw/zinc/02/73/22/402027322.db2.gz AZWSKWJKNPFSOT-UHFFFAOYSA-N 1 0 308.389 2.410 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1 ZINC000095365810 402028599 /nfs/dbraw/zinc/02/85/99/402028599.db2.gz CDLHRUILARVIRY-UHFFFAOYSA-N 1 0 318.465 2.264 50 0 DEAARO COC1CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000051155389 402032126 /nfs/dbraw/zinc/03/21/26/402032126.db2.gz INOXPDQRAGJGRU-HNNXBMFYSA-N 1 0 317.433 2.125 50 0 DEAARO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(OC(F)F)cc1 ZINC000095961717 402037558 /nfs/dbraw/zinc/03/75/58/402037558.db2.gz QAMYZLJAHJZXJT-LBPRGKRZSA-N 1 0 312.360 2.431 50 0 DEAARO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(S(C)(=O)=O)cc1 ZINC000095968029 402038255 /nfs/dbraw/zinc/03/82/55/402038255.db2.gz UEAFGCDQNXVLAI-ZDUSSCGKSA-N 1 0 320.414 2.215 50 0 DEAARO CCOC(=O)[C@@H](C(C)C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000095996052 402044869 /nfs/dbraw/zinc/04/48/69/402044869.db2.gz PTGKAAZKMIHJFE-HUUCEWRRSA-N 1 0 312.454 2.058 50 0 DEAARO O=S(=O)(NC[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1Cl ZINC000053254771 402053277 /nfs/dbraw/zinc/05/32/77/402053277.db2.gz JKTGHDJCPWCIGE-QMMMGPOBSA-N 1 0 309.218 2.024 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccoc1 ZINC000097238409 402119845 /nfs/dbraw/zinc/11/98/45/402119845.db2.gz GEMFQUCIFNLCMH-QGZVFWFLSA-N 1 0 314.385 2.166 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000097238337 402119891 /nfs/dbraw/zinc/11/98/91/402119891.db2.gz YLXHHRVKCOQUNE-MRXNPFEDSA-N 1 0 314.385 2.166 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000097237890 402120048 /nfs/dbraw/zinc/12/00/48/402120048.db2.gz APVYXLYMRCCMHZ-KRWDZBQOSA-N 1 0 302.418 2.060 50 0 DEAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1c(F)cccc1Br ZINC000122411913 402077233 /nfs/dbraw/zinc/07/72/33/402077233.db2.gz RUIXTVLRCUSARJ-SECBINFHSA-N 1 0 315.186 2.318 50 0 DEAARO CCc1cccc(NC(=O)CCC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000055199960 402077817 /nfs/dbraw/zinc/07/78/17/402077817.db2.gz GEOKNDRAVAYEQV-ZDUSSCGKSA-N 1 0 305.422 2.034 50 0 DEAARO O=C1NCCC[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000096402782 402077945 /nfs/dbraw/zinc/07/79/45/402077945.db2.gz MYPMFUHOOGHMFZ-QGZVFWFLSA-N 1 0 311.385 2.029 50 0 DEAARO Cc1ccc(-c2nnc(NC(=O)N[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000055253115 402078376 /nfs/dbraw/zinc/07/83/76/402078376.db2.gz UOFMOMIRHYCFOO-GFCCVEGCSA-N 1 0 317.418 2.387 50 0 DEAARO Cc1nn(C)c(C)c1-c1ccnc(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC000055270837 402078965 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Cc1cc(C)n2c(CN3CC[N@@H+](C)C[C@@H]3C(C)C)cnc2n1 ZINC000097139312 402110479 /nfs/dbraw/zinc/11/04/79/402110479.db2.gz OTEAYWXFVYLSRG-MRXNPFEDSA-N 1 0 301.438 2.118 50 0 DEAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(S(C)(=O)=O)CCOCC1 ZINC000097164263 402113310 /nfs/dbraw/zinc/11/33/10/402113310.db2.gz INTXZVSYNPFNOA-CABCVRRESA-N 1 0 315.479 2.162 50 0 DEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NCc1ccccc1 ZINC000097200503 402116226 /nfs/dbraw/zinc/11/62/26/402116226.db2.gz VGMZFSKLJFTYNJ-QGZVFWFLSA-N 1 0 324.428 2.132 50 0 DEAARO COC(C)(C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097347613 402122329 /nfs/dbraw/zinc/12/23/29/402122329.db2.gz JABOGDDDEGYKLG-INIZCTEOSA-N 1 0 304.434 2.440 50 0 DEAARO O=C(OCc1ncn(-c2ccccc2)n1)c1ccn2c[nH+]cc2c1 ZINC000097231072 402118788 /nfs/dbraw/zinc/11/87/88/402118788.db2.gz CXUMEDXMCPTKAQ-UHFFFAOYSA-N 1 0 319.324 2.272 50 0 DEAARO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097370336 402122411 /nfs/dbraw/zinc/12/24/11/402122411.db2.gz 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/nfs/dbraw/zinc/15/40/43/402154043.db2.gz WTPYMDKZXVUPMW-UHFFFAOYSA-N 1 0 304.415 2.471 50 0 DEAARO CC(C)(C)C(=O)N1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000067229478 402154475 /nfs/dbraw/zinc/15/44/75/402154475.db2.gz GPRXSQDLFAWQAO-MRXNPFEDSA-N 1 0 304.434 2.300 50 0 DEAARO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC(=O)NC[C@H]2C)c1 ZINC000067934910 402179058 /nfs/dbraw/zinc/17/90/58/402179058.db2.gz SRWZTUKYKALEFS-OAHLLOKOSA-N 1 0 312.417 2.200 50 0 DEAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)CC3(C)COC3)cc2c1 ZINC000067947395 402179948 /nfs/dbraw/zinc/17/99/48/402179948.db2.gz LMDDTFJHDMZWRM-UHFFFAOYSA-N 1 0 302.374 2.005 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000124583015 402186899 /nfs/dbraw/zinc/18/68/99/402186899.db2.gz RDWBQRHIJSUZEO-LLVKDONJSA-N 1 0 319.405 2.307 50 0 DEAARO Cc1cccc(N2CCC([NH2+]C[C@H](C)N3CCOCC3)CC2)c1 ZINC000067472952 402160702 /nfs/dbraw/zinc/16/07/02/402160702.db2.gz XDSFUCXAOOXHBN-KRWDZBQOSA-N 1 0 317.477 2.274 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cccc(C)c2)n1 ZINC000067614046 402165276 /nfs/dbraw/zinc/16/52/76/402165276.db2.gz KGTPGQZDTIYFFF-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO O=C(c1cccc(-n2cccn2)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067696358 402167843 /nfs/dbraw/zinc/16/78/43/402167843.db2.gz DZEIXIKYNSYUPE-SFHVURJKSA-N 1 0 310.401 2.088 50 0 DEAARO Cc1nccn1-c1ccccc1CNc1cc(CC[NH3+])nc(C)n1 ZINC000067787484 402172641 /nfs/dbraw/zinc/17/26/41/402172641.db2.gz XRLPSJTZLIXDPH-UHFFFAOYSA-N 1 0 322.416 2.392 50 0 DEAARO [NH3+]CCC(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067790016 402172947 /nfs/dbraw/zinc/17/29/47/402172947.db2.gz VUOHVYKCPUFZRA-UHFFFAOYSA-N 1 0 320.396 2.463 50 0 DEAARO c1ccc(-c2ncc(CN3CC[C@]4(C3)CCC[NH2+]C4)cn2)nc1 ZINC000067789864 402173023 /nfs/dbraw/zinc/17/30/23/402173023.db2.gz FPNZRMCUOPGJOI-GOSISDBHSA-N 1 0 309.417 2.114 50 0 DEAARO CCc1ncc2c(n1)CN(C(=O)CC[C@H](C)[NH+]1CCCC1)C2 ZINC000067820034 402173527 /nfs/dbraw/zinc/17/35/27/402173527.db2.gz UTFMQHDDGPYWPH-ZDUSSCGKSA-N 1 0 302.422 2.146 50 0 DEAARO CCc1ncc2c(n1)CN(C(=O)CC[C@@H](C)[NH+]1CCCC1)C2 ZINC000067820032 402173624 /nfs/dbraw/zinc/17/36/24/402173624.db2.gz UTFMQHDDGPYWPH-CYBMUJFWSA-N 1 0 302.422 2.146 50 0 DEAARO COCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067817902 402173890 /nfs/dbraw/zinc/17/38/90/402173890.db2.gz PFPUAGFVHLXRKV-AWEZNQCLSA-N 1 0 315.417 2.143 50 0 DEAARO COc1ccc2cc(C[NH2+]C[C@H]3CN(C)CCO3)ccc2c1 ZINC000069384221 402221257 /nfs/dbraw/zinc/22/12/57/402221257.db2.gz AYXUVVKJWNJPMK-SFHVURJKSA-N 1 0 300.402 2.269 50 0 DEAARO CC[C@@H]1CN(CCOc2ccccc2C)CC[N@@H+]1C[C@H](C)O ZINC000106908723 402221968 /nfs/dbraw/zinc/22/19/68/402221968.db2.gz PMWIUKHJPSCSNG-DLBZAZTESA-N 1 0 306.450 2.151 50 0 DEAARO C[C@@](O)(C[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000069508731 402227453 /nfs/dbraw/zinc/22/74/53/402227453.db2.gz LAGFCZIIFSAOBX-CQSZACIVSA-N 1 0 303.324 2.370 50 0 DEAARO O=C(CNc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069535271 402229646 /nfs/dbraw/zinc/22/96/46/402229646.db2.gz LLKUZCIYKZJUPK-LSDHHAIUSA-N 1 0 307.825 2.495 50 0 DEAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)n1 ZINC000069534746 402229690 /nfs/dbraw/zinc/22/96/90/402229690.db2.gz KIGKFMDQOFDSCV-IRXDYDNUSA-N 1 0 300.406 2.093 50 0 DEAARO CNc1snc(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069560317 402231003 /nfs/dbraw/zinc/23/10/03/402231003.db2.gz LLOYFPBPHHXCSR-VXGBXAGGSA-N 1 0 308.451 2.192 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1F ZINC000069742444 402242241 /nfs/dbraw/zinc/24/22/41/402242241.db2.gz UFWYNZBGWAMSGS-HOTGVXAUSA-N 1 0 320.408 2.462 50 0 DEAARO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000069810635 402245376 /nfs/dbraw/zinc/24/53/76/402245376.db2.gz ZITQVLQCBLJUNQ-LBPRGKRZSA-N 1 0 314.476 2.352 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)c1 ZINC000069818391 402246007 /nfs/dbraw/zinc/24/60/07/402246007.db2.gz VCHUZGHOTGYMPS-CHWSQXEVSA-N 1 0 304.438 2.035 50 0 DEAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069900438 402250283 /nfs/dbraw/zinc/25/02/83/402250283.db2.gz VCQPGUPFCRJNBJ-YPMHNXCESA-N 1 0 301.365 2.460 50 0 DEAARO CCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000069900848 402250412 /nfs/dbraw/zinc/25/04/12/402250412.db2.gz JCQIGZZMCFIWQK-ZDUSSCGKSA-N 1 0 324.856 2.480 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000069952223 402253091 /nfs/dbraw/zinc/25/30/91/402253091.db2.gz TVNDYFWHEHUGJK-AWEZNQCLSA-N 1 0 309.373 2.346 50 0 DEAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000070012602 402254964 /nfs/dbraw/zinc/25/49/64/402254964.db2.gz YBUZEZKWYNIDBY-KRWDZBQOSA-N 1 0 312.417 2.263 50 0 DEAARO O[C@H](C[NH2+]CCn1cccn1)COc1ccc2ccccc2c1 ZINC000070040859 402256132 /nfs/dbraw/zinc/25/61/32/402256132.db2.gz FVJHCICJYNUAJV-QGZVFWFLSA-N 1 0 311.385 2.066 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)CCc1cccc(Br)c1 ZINC000125955996 402258270 /nfs/dbraw/zinc/25/82/70/402258270.db2.gz LOCNXXOZZIQIMQ-NSHDSACASA-N 1 0 311.223 2.202 50 0 DEAARO COc1cc(Br)ccc1C(=O)N1CCC([NH3+])CC1 ZINC000211205238 402278236 /nfs/dbraw/zinc/27/82/36/402278236.db2.gz GAFSGHQTQQMKHU-UHFFFAOYSA-N 1 0 313.195 2.021 50 0 DEAARO CC(C)(CN1CCCO[C@@H](Cn2cccn2)C1)[NH+]1CCCCC1 ZINC000215254877 402282184 /nfs/dbraw/zinc/28/21/84/402282184.db2.gz LHLRBHZPBKTEFQ-QGZVFWFLSA-N 1 0 320.481 2.239 50 0 DEAARO CCCOc1ccc(CN2CC[N@H+](C)[C@H](CO)C2)cc1Cl ZINC000215729112 402284465 /nfs/dbraw/zinc/28/44/65/402284465.db2.gz APHBDWDFMANNRZ-AWEZNQCLSA-N 1 0 312.841 2.237 50 0 DEAARO CN1Cc2ccc(C[N@H+](C)CC(C)(C)N3CCOCC3)cc2C1 ZINC000215952992 402285779 /nfs/dbraw/zinc/28/57/79/402285779.db2.gz MXLBYOSLRSTSOY-UHFFFAOYSA-N 1 0 317.477 2.175 50 0 DEAARO CCCn1ncc(C[NH+]2CCC(O)(c3cccnc3)CC2)c1C ZINC000215998919 402286383 /nfs/dbraw/zinc/28/63/83/402286383.db2.gz IGSVCESAQGJNBU-UHFFFAOYSA-N 1 0 314.433 2.480 50 0 DEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cn3cccn3)cc1)C2 ZINC000216299948 402288536 /nfs/dbraw/zinc/28/85/36/402288536.db2.gz ISYPBGUHNJCKNQ-RBUKOAKNSA-N 1 0 310.445 2.457 50 0 DEAARO COc1ccc([C@@]2(C(=O)NCCc3c[nH]cn3)CC2(C)C)cc1 ZINC000216448573 402288556 /nfs/dbraw/zinc/28/85/56/402288556.db2.gz JDANWAPJKAYVGL-GOSISDBHSA-N 1 0 313.401 2.445 50 0 DEAARO O[C@@H]1CCC[N@H+](Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000216536488 402289255 /nfs/dbraw/zinc/28/92/55/402289255.db2.gz IKHJENOFPBDMNY-QGZVFWFLSA-N 1 0 312.417 2.436 50 0 DEAARO COc1ccnc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000219745487 402299256 /nfs/dbraw/zinc/29/92/56/402299256.db2.gz UIKVSBKRKLNSQT-AWEZNQCLSA-N 1 0 303.406 2.181 50 0 DEAARO Cc1cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)ccc2o1 ZINC000219679938 402299306 /nfs/dbraw/zinc/29/93/06/402299306.db2.gz HEIPOTOMAYWEFG-XLNGHYISSA-N 1 0 314.385 2.189 50 0 DEAARO CCOc1cccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000222127433 402305734 /nfs/dbraw/zinc/30/57/34/402305734.db2.gz FKLIRHXAEBLLSP-KKUMJFAQSA-N 1 0 320.433 2.372 50 0 DEAARO COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1F ZINC000222130991 402305820 /nfs/dbraw/zinc/30/58/20/402305820.db2.gz YQZBMXYABFSFJB-GHJWDPDVSA-N 1 0 324.396 2.121 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)CCOc2ccc(C)cc2OC)C1 ZINC000158876239 402313341 /nfs/dbraw/zinc/31/33/41/402313341.db2.gz BSOHADMAWQHENY-OAHLLOKOSA-N 1 0 320.433 2.231 50 0 DEAARO O=C(CC[N@@H+]1CCCSCC1)N1CCc2ccccc2C1 ZINC000225451327 402317630 /nfs/dbraw/zinc/31/76/30/402317630.db2.gz WXOSAOMPOAFWFF-UHFFFAOYSA-N 1 0 304.459 2.400 50 0 DEAARO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000225448656 402317738 /nfs/dbraw/zinc/31/77/38/402317738.db2.gz XJNMXLDJTQEUGS-CZUORRHYSA-N 1 0 320.481 2.158 50 0 DEAARO Cc1cccn2c(=O)cc(CN3CCO[C@H]4CCCC[C@H]43)nc12 ZINC000230082405 402347285 /nfs/dbraw/zinc/34/72/85/402347285.db2.gz VQIWMSUGLNAIKD-CVEARBPZSA-N 1 0 313.401 2.146 50 0 DEAARO COc1ccc2c3c1O[C@@]1(C)C[C@@H](O)C=C[C@]31CC[N@@H+](C)C2 ZINC000227144326 402330572 /nfs/dbraw/zinc/33/05/72/402330572.db2.gz DYZLZUBOHRETCR-KKXDTOCCSA-N 1 0 301.386 2.240 50 0 DEAARO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)NCc1cccs1 ZINC000244795190 402449406 /nfs/dbraw/zinc/44/94/06/402449406.db2.gz RBGLWLAKRPGIFG-UHFFFAOYSA-N 1 0 308.447 2.399 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000237654319 402417398 /nfs/dbraw/zinc/41/73/98/402417398.db2.gz NQHZFNOBRPAGSL-OAHLLOKOSA-N 1 0 308.809 2.240 50 0 DEAARO Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H]3C[NH3+])c2)nn1 ZINC000237755777 402420215 /nfs/dbraw/zinc/42/02/15/402420215.db2.gz WSGGDJDSBBUNFJ-OAHLLOKOSA-N 1 0 311.389 2.092 50 0 DEAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000237763905 402420256 /nfs/dbraw/zinc/42/02/56/402420256.db2.gz WSJOLKUTTPXSCX-GFCCVEGCSA-N 1 0 304.781 2.007 50 0 DEAARO CCc1nc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cs1 ZINC000239366864 402441441 /nfs/dbraw/zinc/44/14/41/402441441.db2.gz AGESQFWDGDUPDU-UHFFFAOYSA-N 1 0 315.442 2.324 50 0 DEAARO CCN1CC[N@H+](C[C@@H](OC)c2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000239475357 402441934 /nfs/dbraw/zinc/44/19/34/402441934.db2.gz ANQRWWAMKDPFIF-IAGOWNOFSA-N 1 0 314.433 2.476 50 0 DEAARO C[C@H](c1cccnc1)N1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000241126142 402442794 /nfs/dbraw/zinc/44/27/94/402442794.db2.gz JJVCIWMHAXIOPC-CDHQVMDDSA-N 1 0 323.440 2.419 50 0 DEAARO CSc1cccc(CN(C)C(=O)CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000240936837 402442994 /nfs/dbraw/zinc/44/29/94/402442994.db2.gz SENRAELCOKUHAY-OAHLLOKOSA-N 1 0 321.490 2.003 50 0 DEAARO Cn1c2ccc(C[NH+]3CCC(n4ccnc4)CC3)cc2oc1=O ZINC000242302429 402444303 /nfs/dbraw/zinc/44/43/03/402444303.db2.gz YSODJJJIXIPLPG-UHFFFAOYSA-N 1 0 312.373 2.165 50 0 DEAARO Cc1noc(C)c1CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000165568580 402477286 /nfs/dbraw/zinc/47/72/86/402477286.db2.gz LOHRCTUWMBOKEP-UHFFFAOYSA-N 1 0 315.421 2.225 50 0 DEAARO CCCC[C@H]([NH3+])C(=O)Nc1ccn(-c2ncccc2Cl)n1 ZINC000170070711 402502884 /nfs/dbraw/zinc/50/28/84/402502884.db2.gz BEXGOVTWGNNNFB-NSHDSACASA-N 1 0 307.785 2.377 50 0 DEAARO CNC(=O)CN1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000170087084 402503139 /nfs/dbraw/zinc/50/31/39/402503139.db2.gz OVZTUSKQYYPOPU-CYBMUJFWSA-N 1 0 323.868 2.244 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000170601573 402506440 /nfs/dbraw/zinc/50/64/40/402506440.db2.gz HKNNSQXAIGTXKJ-CABCVRRESA-N 1 0 312.454 2.480 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000178582755 402514412 /nfs/dbraw/zinc/51/44/12/402514412.db2.gz XNCLVIHFPZWVPP-JTQLQIEISA-N 1 0 304.781 2.151 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000178582804 402514453 /nfs/dbraw/zinc/51/44/53/402514453.db2.gz QOGOQWHGRAXGIO-CYBMUJFWSA-N 1 0 322.836 2.195 50 0 DEAARO Cc1nc(CCC(=O)N2CC[C@H](C[NH3+])C2)oc1-c1ccccc1 ZINC000178542709 402509596 /nfs/dbraw/zinc/50/95/96/402509596.db2.gz RJBXLDSMVAYCHZ-CQSZACIVSA-N 1 0 313.401 2.390 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000178977141 402561300 /nfs/dbraw/zinc/56/13/00/402561300.db2.gz BDOOJERDCXQCOY-JTQLQIEISA-N 1 0 317.216 2.440 50 0 DEAARO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(N)c2)CC1 ZINC000178671180 402524678 /nfs/dbraw/zinc/52/46/78/402524678.db2.gz SNGBHYWDAOUACI-UHFFFAOYSA-N 1 0 313.405 2.374 50 0 DEAARO O=C1OCC2(CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)O1 ZINC000252483460 402654914 /nfs/dbraw/zinc/65/49/14/402654914.db2.gz FBYJUIPEZZYTCB-CQSZACIVSA-N 1 0 316.357 2.181 50 0 DEAARO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000252492270 402656218 /nfs/dbraw/zinc/65/62/18/402656218.db2.gz MHCDYIUQXDVAKE-JKSUJKDBSA-N 1 0 317.437 2.467 50 0 DEAARO c1nncn1C1CC[NH+](C[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC000252500525 402656635 /nfs/dbraw/zinc/65/66/35/402656635.db2.gz SXGBIIJRJHWXRV-INIZCTEOSA-N 1 0 311.389 2.108 50 0 DEAARO CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000252504560 402657048 /nfs/dbraw/zinc/65/70/48/402657048.db2.gz VKPATQDRQUPGSI-HNNXBMFYSA-N 1 0 314.389 2.124 50 0 DEAARO CC[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCc1ccsc1 ZINC000252503753 402657244 /nfs/dbraw/zinc/65/72/44/402657244.db2.gz VGPPIJNQOQLLFG-GJZGRUSLSA-N 1 0 308.447 2.002 50 0 DEAARO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000253369454 402662992 /nfs/dbraw/zinc/66/29/92/402662992.db2.gz CUGYYVMJQNZHHY-DISONHOPSA-N 1 0 310.482 2.017 50 0 DEAARO Cc1[nH]c(=O)c(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c(C)c1C ZINC000253537445 402668283 /nfs/dbraw/zinc/66/82/83/402668283.db2.gz ZFGLWXSROJYRIJ-NSHDSACASA-N 1 0 317.433 2.411 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cc(Br)cs2)C1 ZINC000255390803 402686540 /nfs/dbraw/zinc/68/65/40/402686540.db2.gz ZQCBOOBMQICRDI-JKERVTFKSA-N 1 0 315.236 2.331 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccccc2Br)C1 ZINC000255602811 402692425 /nfs/dbraw/zinc/69/24/25/402692425.db2.gz PWFLPKLYNFJPAY-GZTOBOFZSA-N 1 0 309.207 2.270 50 0 DEAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000257176170 402700442 /nfs/dbraw/zinc/70/04/42/402700442.db2.gz RYLSQLWSUBATEO-QGZVFWFLSA-N 1 0 323.408 2.348 50 0 DEAARO CN1Cc2cccn2C[C@@H]1CNC(=O)Nc1cccc(F)c1 ZINC000257186797 402701040 /nfs/dbraw/zinc/70/10/40/402701040.db2.gz KTQXKUNHUQLFAJ-HNNXBMFYSA-N 1 0 302.353 2.263 50 0 DEAARO CC1(C(=O)N2CC[C@@H](CO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000195569814 402851015 /nfs/dbraw/zinc/85/10/15/402851015.db2.gz NLSMTKHYXLCJKR-QGZVFWFLSA-N 1 0 316.445 2.130 50 0 DEAARO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)nn1C ZINC000195571222 402851042 /nfs/dbraw/zinc/85/10/42/402851042.db2.gz XVKSNAOYBLIJQB-STQMWFEESA-N 1 0 310.467 2.321 50 0 DEAARO Cc1noc([C@H]2C[N@@H+](CCc3ccc(C)cc3)CCN2C)n1 ZINC000284575938 403269898 /nfs/dbraw/zinc/26/98/98/403269898.db2.gz GWMXKWLNVAVBPJ-MRXNPFEDSA-N 1 0 300.406 2.218 50 0 DEAARO CN(C)CC[NH2+]Cc1cc2cc3c(cc2nc1N(C)C)CCC3 ZINC000299782254 403573396 /nfs/dbraw/zinc/57/33/96/403573396.db2.gz PKRVYDBISNVSHJ-UHFFFAOYSA-N 1 0 312.461 2.441 50 0 DEAARO c1nnn2c1CO[C@H]1C[N@H+](CCCCc3ccccc3)CC[C@@H]12 ZINC000299795247 403576861 /nfs/dbraw/zinc/57/68/61/403576861.db2.gz KZSVGBLGFXHGKQ-ROUUACIJSA-N 1 0 312.417 2.447 50 0 DEAARO Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000299792997 403577476 /nfs/dbraw/zinc/57/74/76/403577476.db2.gz IGCSRGJJEZAFER-OAHLLOKOSA-N 1 0 318.465 2.340 50 0 DEAARO CCCC[N@@H+]1CCn2nc(CNc3nnc(C)s3)cc2C1 ZINC000299795972 403578491 /nfs/dbraw/zinc/57/84/91/403578491.db2.gz LMATVBRJCSWAEH-UHFFFAOYSA-N 1 0 306.439 2.271 50 0 DEAARO Cc1noc([C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCN2C)n1 ZINC000343865564 403766306 /nfs/dbraw/zinc/76/63/06/403766306.db2.gz NGORWBKSYVETLF-ULQDDVLXSA-N 1 0 312.417 2.470 50 0 DEAARO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCc2ccccc2C1 ZINC000333809383 403870263 /nfs/dbraw/zinc/87/02/63/403870263.db2.gz IZJFZYXLMSVRSC-KRWDZBQOSA-N 1 0 310.401 2.006 50 0 DEAARO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(C3CC3)C1)CCCO2 ZINC000090182363 286429495 /nfs/dbraw/zinc/42/94/95/286429495.db2.gz CFLDLFKFCQLSAF-BLLLJJGKSA-N 1 0 316.401 2.262 50 0 DEAARO CCc1cnc(-c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)nc1 ZINC000426407476 405358219 /nfs/dbraw/zinc/35/82/19/405358219.db2.gz DBQQXJAHIYBAEM-UHFFFAOYSA-N 1 0 324.428 2.435 50 0 DEAARO COC(C)(C)CNC(=O)N(C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000426376394 405355768 /nfs/dbraw/zinc/35/57/68/405355768.db2.gz OWVJYBPOQLQGDW-OAHLLOKOSA-N 1 0 307.438 2.356 50 0 DEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCCCCCC1 ZINC000426387081 405356278 /nfs/dbraw/zinc/35/62/78/405356278.db2.gz KSQRTSGLTOOQKR-HNNXBMFYSA-N 1 0 304.438 2.143 50 0 DEAARO Cc1nocc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000585130371 405873605 /nfs/dbraw/zinc/87/36/05/405873605.db2.gz OIGJEEUUMKFALO-AWEZNQCLSA-N 1 0 300.362 2.229 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000132548845 196264609 /nfs/dbraw/zinc/26/46/09/196264609.db2.gz GWICUYWGBLPYCG-YXMGTMDOSA-N 1 0 323.396 2.233 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)Cc2ccccc2OC)C1 ZINC000132894495 196294108 /nfs/dbraw/zinc/29/41/08/196294108.db2.gz BJYCTVKNXRMTDO-ZBFHGGJFSA-N 1 0 304.434 2.474 50 0 DEAARO [NH3+][C@H]1CC[C@@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000244719141 225217670 /nfs/dbraw/zinc/21/76/70/225217670.db2.gz LXWUFXQVPGHNNG-PQEBFOHHSA-N 1 0 302.418 2.304 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)CCn2ccnc2)[NH+](C)C)cc1 ZINC000299635660 229284814 /nfs/dbraw/zinc/28/48/14/229284814.db2.gz HLJJZBUNHHBZQT-MRXNPFEDSA-N 1 0 300.406 2.001 50 0 DEAARO O=C([C@@H]1CCCC[NH2+]1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000299749401 229394201 /nfs/dbraw/zinc/39/42/01/229394201.db2.gz KETBCMRVSTWLDD-IRXDYDNUSA-N 1 0 320.408 2.240 50 0 DEAARO Cc1csc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000044952926 424814627 /nfs/dbraw/zinc/81/46/27/424814627.db2.gz YMOJDJBCKNXOJC-GFCCVEGCSA-N 1 0 310.467 2.373 50 0 DEAARO O[C@@H](C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000121296833 424853774 /nfs/dbraw/zinc/85/37/74/424853774.db2.gz ABDYLHGOQAHTOG-UONOGXRCSA-N 1 0 321.314 2.494 50 0 DEAARO CN(CCCc1ccccc1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244633555 424886464 /nfs/dbraw/zinc/88/64/64/424886464.db2.gz GEWDVKONEKBDNP-GASCZTMLSA-N 1 0 311.433 2.333 50 0 DEAARO CCN1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000252510795 424888208 /nfs/dbraw/zinc/88/82/08/424888208.db2.gz BOWJXROLOFFCNV-OAHLLOKOSA-N 1 0 311.470 2.271 50 0 DEAARO C[N@H+](CCCNc1cc([C@@H]2CCOC2)ncn1)C1CCCC1 ZINC000426419762 425001635 /nfs/dbraw/zinc/00/16/35/425001635.db2.gz LWFQJZGJFMLXLD-CQSZACIVSA-N 1 0 304.438 2.657 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1(C)C ZINC000496433713 269219881 /nfs/dbraw/zinc/21/98/81/269219881.db2.gz KTUHPRJYYUTJDF-ZDUSSCGKSA-N 1 0 308.426 2.261 50 0 DEAARO C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nnc2n1CCCC2 ZINC000194174904 275726520 /nfs/dbraw/zinc/72/65/20/275726520.db2.gz FSPRKRORBUGYLG-DAXOMENPSA-N 1 0 302.422 2.052 50 0 DEAARO CNC(=O)Nc1cccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC000097115907 277238979 /nfs/dbraw/zinc/23/89/79/277238979.db2.gz HZNFAVCWEAJCAK-HNNXBMFYSA-N 1 0 316.405 2.251 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000237119935 277276182 /nfs/dbraw/zinc/27/61/82/277276182.db2.gz RNAWCFCGEJVUMT-NADMHLTPSA-N 1 0 310.401 2.096 50 0 DEAARO COc1cccc(C[C@@H]2C[N@H+](CCCn3cccn3)CCO2)c1 ZINC000014958787 278013685 /nfs/dbraw/zinc/01/36/85/278013685.db2.gz XBXNTSJIZPHPHZ-GOSISDBHSA-N 1 0 315.417 2.225 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC[NH2+]1 ZINC000188414154 288005942 /nfs/dbraw/zinc/00/59/42/288005942.db2.gz KUWHQDIFVNWIQD-SWHYSGLUSA-N 1 0 323.234 2.373 50 0 DEAARO CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O ZINC000090178367 278355456 /nfs/dbraw/zinc/35/54/56/278355456.db2.gz GVMGGDUDBXZOKT-HZPDHXFCSA-N 1 0 301.434 2.392 50 0 DEAARO CC1=[NH+]CCNC2=C1[C@H](c1cccnc1)N(c1ccccc1)C2=O ZINC000001404962 278509957 /nfs/dbraw/zinc/50/99/57/278509957.db2.gz MGIRQMQOVWUCIH-SFHVURJKSA-N 1 0 318.380 2.488 50 0 DEAARO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000069453822 280355929 /nfs/dbraw/zinc/35/59/29/280355929.db2.gz KVMNWASGXDAIFZ-KGLIPLIRSA-N 1 0 311.451 2.171 50 0 DEAARO COC[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000072255226 292769115 /nfs/dbraw/zinc/76/91/15/292769115.db2.gz LPRYUARJPGJGEP-HZPDHXFCSA-N 1 0 311.470 2.319 50 0 DEAARO O=C(C[C@@H]1COCCN1CC[NH+]1CCCCC1)c1ccccc1 ZINC000134195302 295539109 /nfs/dbraw/zinc/53/91/09/295539109.db2.gz CPDOONAQKWHGNU-GOSISDBHSA-N 1 0 316.445 2.446 50 0 DEAARO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cccc2c1OCCO2 ZINC000188939717 333059070 /nfs/dbraw/zinc/05/90/70/333059070.db2.gz HHUWVWHIERDTTI-QGZVFWFLSA-N 1 0 313.397 2.459 50 0 DEAARO O=C1NCCN1[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000096419558 337382084 /nfs/dbraw/zinc/38/20/84/337382084.db2.gz FVHRWWYODWACLU-HNNXBMFYSA-N 1 0 309.454 2.215 50 0 DEAARO CC(C)Cn1ccnc1CNC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000097234234 337382369 /nfs/dbraw/zinc/38/23/69/337382369.db2.gz DXQDCOMAPWUGSA-LSDHHAIUSA-N 1 0 322.453 2.232 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000089922697 500809162 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CCO[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000246150659 527817684 /nfs/dbraw/zinc/81/76/84/527817684.db2.gz KFJCWWNNLHEYQS-FVQBIDKESA-N 1 0 321.465 2.118 50 0 DEAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000242389350 528430965 /nfs/dbraw/zinc/43/09/65/528430965.db2.gz ZWKJUCDJQFBPCW-SJLPKXTDSA-N 1 0 323.433 2.074 50 0 DEAARO C[NH+](C)CCN(C(=O)/C=C/c1cccs1)C1CCOCC1 ZINC000206665127 563624209 /nfs/dbraw/zinc/62/42/09/563624209.db2.gz FBGGKCDVFLIQDJ-AATRIKPKSA-N 1 0 308.447 2.331 50 0 DEAARO Cc1csc(=O)n1CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000170019858 563902630 /nfs/dbraw/zinc/90/26/30/563902630.db2.gz KOXKQEURRPZXAK-WBMJQRKESA-N 1 0 312.479 2.385 50 0 DEAARO O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000888096843 635531867 /nfs/dbraw/zinc/53/18/67/635531867.db2.gz STUXNHCSHAXERZ-QGZVFWFLSA-N 1 0 314.360 2.169 50 0 DEAARO CC[C@@H](C(=O)OC)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000888098611 635545113 /nfs/dbraw/zinc/54/51/13/635545113.db2.gz 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683952189 /nfs/dbraw/zinc/95/21/89/683952189.db2.gz IOIVPKFGGIXKLV-LBPRGKRZSA-N 1 0 306.406 2.253 50 0 DEAARO CC(C)C[N@@H+]1CCn2nc(CNc3cc(C#N)ccn3)cc2C1 ZINC000082120987 683995623 /nfs/dbraw/zinc/99/56/23/683995623.db2.gz KSGAJGQMGHACHD-UHFFFAOYSA-N 1 0 310.405 2.233 50 0 DEAARO CN1CCN([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)CC1 ZINC000097756368 684055759 /nfs/dbraw/zinc/05/57/59/684055759.db2.gz YGMHZUQEPUNICX-KRWDZBQOSA-N 1 0 310.445 2.057 50 0 DEAARO CCO/C=C/[C@@](O)(CNCc1ccc(C)cn1)C(F)(F)F ZINC000928996431 693869575 /nfs/dbraw/zinc/86/95/75/693869575.db2.gz RWRYVBYWEKYRBT-KTRBRXNASA-N 1 0 304.312 2.323 50 0 DEAARO Cc1csc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2(C)C)c1 ZINC000825257279 783621433 /nfs/dbraw/zinc/62/14/33/783621433.db2.gz ZTBOTLZJOQIOPV-GFCCVEGCSA-N 1 0 316.492 2.407 50 0 DEAARO CCc1nnc2n1C[C@H]1CC[C@@H](C2)[N@H+]1Cc1scnc1C ZINC000675019021 778335111 /nfs/dbraw/zinc/33/51/11/778335111.db2.gz DLBCQCCBSCTHRP-NWDGAFQWSA-N 1 0 303.435 2.195 50 0 DEAARO CCc1nnc2n1C[C@H]1CC[C@@H](C2)[N@H+]1Cc1c(C)noc1C ZINC000675019095 778335170 /nfs/dbraw/zinc/33/51/70/778335170.db2.gz GGCHTBSYLXDIAH-QWHCGFSZSA-N 1 0 301.394 2.035 50 0 DEAARO Cc1nc(CO[C@@H]2CCC[N@H+](Cc3ccc(C)cn3)C2)no1 ZINC000675015896 778335597 /nfs/dbraw/zinc/33/55/97/778335597.db2.gz ASIKSKYMJCUBNJ-OAHLLOKOSA-N 1 0 302.378 2.263 50 0 DEAARO O=C(c1cccs1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581787954 784775742 /nfs/dbraw/zinc/77/57/42/784775742.db2.gz LHFLZBXWTOCPDR-CQSZACIVSA-N 1 0 308.447 2.323 50 0 DEAARO CC[N@H+](C1CN(C(=O)Cc2cccc(F)c2)C1)C1CCOCC1 ZINC000581794742 784782756 /nfs/dbraw/zinc/78/27/56/784782756.db2.gz RUZQXXFHSZTDBP-UHFFFAOYSA-N 1 0 320.408 2.080 50 0 DEAARO COc1ccc(C(=O)N2CC[C@@H](Cn3c(C)c[nH+]c3C)C2)cn1 ZINC000581813904 784790642 /nfs/dbraw/zinc/79/06/42/784790642.db2.gz LCPBVYMNLDLQSY-CQSZACIVSA-N 1 0 314.389 2.066 50 0 DEAARO C[C@@H](C(=O)Nc1nc2ccccc2s1)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000585095613 789695206 /nfs/dbraw/zinc/69/52/06/789695206.db2.gz AOECQLJNVVPXHI-NWDGAFQWSA-N 1 0 318.446 2.259 50 0 DEAARO C[NH+](C)CCCC(C)(C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000585121381 789707233 /nfs/dbraw/zinc/70/72/33/789707233.db2.gz NWMOCMUGKBEMDN-OAHLLOKOSA-N 1 0 317.433 2.098 50 0 DEAARO CCOC(=O)C1([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)CC1 ZINC000585117826 789707926 /nfs/dbraw/zinc/70/79/26/789707926.db2.gz YKPYCFOGCPZBTI-CYBMUJFWSA-N 1 0 314.389 2.089 50 0 DEAARO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000952846218 792776183 /nfs/dbraw/zinc/77/61/83/792776183.db2.gz QOXFCNMQXBYUKR-CYBMUJFWSA-N 1 0 317.393 2.010 50 0 DEAARO O[C@@H](c1nc(-c2cccc(CN3CCOCC3)c2)no1)C1CC1 ZINC000952881396 792795799 /nfs/dbraw/zinc/79/57/99/792795799.db2.gz GTTWPBTZVWIRTD-OAHLLOKOSA-N 1 0 315.373 2.012 50 0 DEAARO C[N@@H+]1CCC[C@@](O)(Cc2nc(-c3nccc4ccccc43)no2)C1 ZINC000952885619 792796040 /nfs/dbraw/zinc/79/60/40/792796040.db2.gz FFVLQNAQNLNNRZ-GOSISDBHSA-N 1 0 324.384 2.284 50 0 DEAARO Cc1nsc(C)c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000952884328 792798852 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Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1C ZINC001506409889 1061950606 /nfs/dbraw/zinc/95/06/06/1061950606.db2.gz UYSSDAGGVHPGFG-CYBMUJFWSA-N 1 0 324.384 2.394 50 0 DEAARO C[N@H+](C[C@@H]1CC(=O)N(C(C)(C)C)C1)C1CSCCSC1 ZINC001506431690 1061979438 /nfs/dbraw/zinc/97/94/38/1061979438.db2.gz VPERIDZFECHBFW-LBPRGKRZSA-N 1 0 316.536 2.414 50 0 DEAARO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CCCCC1 ZINC000054927318 1084850187 /nfs/dbraw/zinc/85/01/87/1084850187.db2.gz SYHSNBMCMAXWAO-UHFFFAOYSA-N 1 0 311.813 2.023 50 0 DEAARO C[C@@H](CCc1nc(-c2ccc(F)c(F)c2)n[nH]1)[NH+]1CCOCC1 ZINC000821758442 1090609542 /nfs/dbraw/zinc/60/95/42/1090609542.db2.gz AVVRALYZBWOIOG-NSHDSACASA-N 1 0 322.359 2.403 50 0 DEAARO CCOc1ccccc1CCCNC(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000823396042 1090676248 /nfs/dbraw/zinc/67/62/48/1090676248.db2.gz IBYGRNRUDRRPAR-HUUCEWRRSA-N 1 0 305.422 2.197 50 0 DEAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccon3)cc2)CC1 ZINC000823765146 1090697644 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COc1ccsc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000079352500 185166065 /nfs/dbraw/zinc/16/60/65/185166065.db2.gz UNFFHKQVMSYVQQ-UHFFFAOYSA-N 1 0 319.430 2.356 50 0 DEAARO O=C(NC[C@H]1CCC[NH2+]C1)c1sccc1Br ZINC000082614162 185191233 /nfs/dbraw/zinc/19/12/33/185191233.db2.gz BVMXHHVDRRPEDO-QMMMGPOBSA-N 1 0 303.225 2.240 50 0 DEAARO CCOc1ncc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1Cl ZINC000089988750 185274998 /nfs/dbraw/zinc/27/49/98/185274998.db2.gz ARQYRNJENLBSJK-ZWNOBZJWSA-N 1 0 311.813 2.156 50 0 DEAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1CCOc1ccccc1 ZINC000090088704 185281444 /nfs/dbraw/zinc/28/14/44/185281444.db2.gz DJXOKVMRBHRQLX-OAHLLOKOSA-N 1 0 320.458 2.152 50 0 DEAARO NC(=O)CC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000090517710 185299932 /nfs/dbraw/zinc/29/99/32/185299932.db2.gz LXAIBTPHXDCSSY-UHFFFAOYSA-N 1 0 301.434 2.027 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000090412180 185294977 /nfs/dbraw/zinc/29/49/77/185294977.db2.gz QFXDLKAFJFWKMR-AAEUAGOBSA-N 1 0 309.385 2.289 50 0 DEAARO COC(=O)c1ccc(C[NH+]2CCC(c3nc(C)n[nH]3)CC2)s1 ZINC000095411635 185357446 /nfs/dbraw/zinc/35/74/46/185357446.db2.gz NYGSBSMPIFHUGD-UHFFFAOYSA-N 1 0 320.418 2.341 50 0 DEAARO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCOC3(CCCC3)C2)C1 ZINC000095424936 185361380 /nfs/dbraw/zinc/36/13/80/185361380.db2.gz WQEPLKYUEWGIGE-CABCVRRESA-N 1 0 309.454 2.214 50 0 DEAARO Cc1c(F)cccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000095432029 185363421 /nfs/dbraw/zinc/36/34/21/185363421.db2.gz OWYMTACHAHRALX-CQSZACIVSA-N 1 0 308.378 2.112 50 0 DEAARO CC(C)C[C@H](C[NH3+])NS(=O)(=O)Cc1ccccc1Cl ZINC000095432086 185363486 /nfs/dbraw/zinc/36/34/86/185363486.db2.gz BDCNUIRGAFFWIX-GFCCVEGCSA-N 1 0 304.843 2.133 50 0 DEAARO OC[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000095433510 185364014 /nfs/dbraw/zinc/36/40/14/185364014.db2.gz ZCLYVVLYFOZDRE-JSGCOSHPSA-N 1 0 317.351 2.313 50 0 DEAARO Cc1cccnc1NC(=O)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000095444973 185367266 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Cc1cnn(C[C@@H]2CCCCN2[C@@H](C(N)=O)c2ccccc2)c1 ZINC000229487306 356282130 /nfs/dbraw/zinc/28/21/30/356282130.db2.gz WMFJRRJGLOWFBN-DLBZAZTESA-N 1 0 312.417 2.273 50 0 DEAARO C[N@H+](CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Cc1ccc(F)cc1 ZINC000248686784 356323829 /nfs/dbraw/zinc/32/38/29/356323829.db2.gz HJVWXLDBCAUEBT-HZPDHXFCSA-N 1 0 316.376 2.209 50 0 DEAARO OC1CC[NH+](CCOc2ccc(Br)cc2F)CC1 ZINC000230554927 356283417 /nfs/dbraw/zinc/28/34/17/356283417.db2.gz YJKPRISJHJEDRL-UHFFFAOYSA-N 1 0 318.186 2.424 50 0 DEAARO CCCCOCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252477765 356334075 /nfs/dbraw/zinc/33/40/75/356334075.db2.gz VFLZEEQVIJCYCA-BBWFWOEESA-N 1 0 323.481 2.319 50 0 DEAARO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236933544 202079099 /nfs/dbraw/zinc/07/90/99/202079099.db2.gz PHEFEDONFWUNPU-ZIAGYGMSSA-N 1 0 306.406 2.180 50 0 DEAARO COc1cccc(C[NH2+]CC2(O)CCOCC2)c1OC(C)C ZINC000237190922 202183653 /nfs/dbraw/zinc/18/36/53/202183653.db2.gz 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CCC[C@@](CO)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000006274346 181325044 /nfs/dbraw/zinc/32/50/44/181325044.db2.gz SFPFECOZWGGHKE-MJGOQNOKSA-N 1 0 317.429 2.354 50 0 DEAARO OC[C@]1([NH2+]CCO[C@H]2CCCCO2)CCCc2ccccc21 ZINC000281471935 216324054 /nfs/dbraw/zinc/32/40/54/216324054.db2.gz BNKKIAGFTMEROW-ZWKOTPCHSA-N 1 0 305.418 2.343 50 0 DEAARO [NH3+]C1(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000091547466 193071200 /nfs/dbraw/zinc/07/12/00/193071200.db2.gz ZFVUSETYAXBBOD-OAHLLOKOSA-N 1 0 308.385 2.129 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2O ZINC000091563106 193073308 /nfs/dbraw/zinc/07/33/08/193073308.db2.gz HVZBCOTWKXGVSA-CALCHBBNSA-N 1 0 318.392 2.323 50 0 DEAARO O=C(NCC[NH+]1CCCC1)c1cnc(Nc2ccccc2)nc1 ZINC000091593341 193076902 /nfs/dbraw/zinc/07/69/02/193076902.db2.gz JNHZWNXLNKNHOW-UHFFFAOYSA-N 1 0 311.389 2.046 50 0 DEAARO CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000091644339 193084362 /nfs/dbraw/zinc/08/43/62/193084362.db2.gz 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193106782 /nfs/dbraw/zinc/10/67/82/193106782.db2.gz RCWJKTGAIRZEIB-HNNXBMFYSA-N 1 0 319.453 2.274 50 0 DEAARO C[NH+]1CCC(O)(C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000091934167 193129103 /nfs/dbraw/zinc/12/91/03/193129103.db2.gz CVHULFGRPOOFCI-SFHVURJKSA-N 1 0 316.445 2.023 50 0 DEAARO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCCC2)C1 ZINC000091974014 193135379 /nfs/dbraw/zinc/13/53/79/193135379.db2.gz PPTBDYJCIGSEBS-HZPDHXFCSA-N 1 0 314.433 2.203 50 0 DEAARO Cc1c(F)cccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000092001801 193139601 /nfs/dbraw/zinc/13/96/01/193139601.db2.gz ASVQZXKAGORHCU-IAGOWNOFSA-N 1 0 306.425 2.270 50 0 DEAARO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](CCOCCO)C1 ZINC000092064876 193150896 /nfs/dbraw/zinc/15/08/96/193150896.db2.gz YNFLIEZVZGGJOR-GOSISDBHSA-N 1 0 321.417 2.069 50 0 DEAARO CCOc1ccc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000216434840 201493240 /nfs/dbraw/zinc/49/32/40/201493240.db2.gz LLRXZMAKULFMTP-QGZVFWFLSA-N 1 0 319.449 2.167 50 0 DEAARO Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096412721 193625729 /nfs/dbraw/zinc/62/57/29/193625729.db2.gz ZMARWCGYLIUWOC-OAHLLOKOSA-N 1 0 302.418 2.226 50 0 DEAARO C/C(=C/c1ccccc1)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000096297192 193610995 /nfs/dbraw/zinc/61/09/95/193610995.db2.gz BIYOSKFKWFTEOI-OWBHPGMISA-N 1 0 308.447 2.104 50 0 DEAARO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH+]1CCCCCCC1)C2 ZINC000014744028 181968707 /nfs/dbraw/zinc/96/87/07/181968707.db2.gz QADXUNNRAQGWFT-AWEZNQCLSA-N 1 0 318.465 2.386 50 0 DEAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](C(C)C)CC1 ZINC000019448001 182123722 /nfs/dbraw/zinc/12/37/22/182123722.db2.gz BCWWVRLSUNKIFD-UHFFFAOYSA-N 1 0 308.422 2.238 50 0 DEAARO O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019850258 182157099 /nfs/dbraw/zinc/15/70/99/182157099.db2.gz MHBQOAILOCNGPI-GOSISDBHSA-N 1 0 312.413 2.249 50 0 DEAARO COc1cccc(C[NH2+]C2CC2)c1OCC(=O)NC(C)(C)C ZINC000020467933 182221136 /nfs/dbraw/zinc/22/11/36/182221136.db2.gz VNXVHWBIFDRFQS-UHFFFAOYSA-N 1 0 306.406 2.241 50 0 DEAARO COc1cc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)ccc1F ZINC000020783466 182246746 /nfs/dbraw/zinc/24/67/46/182246746.db2.gz QIHKBWFGBRJWMH-HNNXBMFYSA-N 1 0 310.413 2.111 50 0 DEAARO CCOc1ccccc1CN1CC[N@@H+](C(C)C)C[C@@H]1CCO ZINC000020877877 182251668 /nfs/dbraw/zinc/25/16/68/182251668.db2.gz DPVWPYNHGBKQCV-KRWDZBQOSA-N 1 0 306.450 2.362 50 0 DEAARO Cn1ncc2c1nc(NCC[NH+](C)C)nc2Nc1ccccc1 ZINC000021929027 182298834 /nfs/dbraw/zinc/29/88/34/182298834.db2.gz KUQGNYIRWLHWFX-UHFFFAOYSA-N 1 0 311.393 2.080 50 0 DEAARO CC(C)C[N@@H+]1CCN(Cc2cc(F)ccc2F)C[C@@H]1CCO ZINC000022919267 182341276 /nfs/dbraw/zinc/34/12/76/182341276.db2.gz DTTVSJVJRVRAIU-INIZCTEOSA-N 1 0 312.404 2.489 50 0 DEAARO CC(C)[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCN(C)CC1 ZINC000022932051 182342830 /nfs/dbraw/zinc/34/28/30/182342830.db2.gz UWQKCGMUYPBJGE-INIZCTEOSA-N 1 0 322.428 2.219 50 0 DEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000023339632 182357666 /nfs/dbraw/zinc/35/76/66/182357666.db2.gz UBJPOCTVBOYBGY-KRWDZBQOSA-N 1 0 315.461 2.109 50 0 DEAARO CC[C@H](CO)[NH2+]C[C@H](O)Cn1c(C)c(C)c2cc(C)ccc21 ZINC000028297066 182519872 /nfs/dbraw/zinc/51/98/72/182519872.db2.gz MWEPLEOQGYZBIV-CVEARBPZSA-N 1 0 304.434 2.288 50 0 DEAARO Cc1noc(C)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032729434 182657077 /nfs/dbraw/zinc/65/70/77/182657077.db2.gz YTGDSBYBBLKKRM-CQSZACIVSA-N 1 0 305.353 2.463 50 0 DEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc(C)n2)C[C@H]1CCO ZINC000039393852 183018680 /nfs/dbraw/zinc/01/86/80/183018680.db2.gz ANKVRWUQPLSZKU-GOSISDBHSA-N 1 0 303.450 2.225 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2scnc2C)[NH+](C)C)cc1 ZINC000040533882 183094736 /nfs/dbraw/zinc/09/47/36/183094736.db2.gz NOYXSMWZWVWUIQ-CQSZACIVSA-N 1 0 319.430 2.493 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000040598301 183107870 /nfs/dbraw/zinc/10/78/70/183107870.db2.gz AKVHHNQYMMULHA-JTQLQIEISA-N 1 0 320.817 2.099 50 0 DEAARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc2c1OCO2 ZINC000042229433 183244976 /nfs/dbraw/zinc/24/49/76/183244976.db2.gz LYNWPCJCDGELPE-CYBMUJFWSA-N 1 0 315.373 2.325 50 0 DEAARO CCn1cc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000043645967 183377903 /nfs/dbraw/zinc/37/79/03/183377903.db2.gz VALMCPWCSMBKSS-OAHLLOKOSA-N 1 0 319.384 2.467 50 0 DEAARO O=C(c1ccnnc1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000221423105 296275800 /nfs/dbraw/zinc/27/58/00/296275800.db2.gz JEYKEILPDYRZNP-AEFFLSMTSA-N 1 0 322.412 2.213 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(F)c1 ZINC000104454511 194008330 /nfs/dbraw/zinc/00/83/30/194008330.db2.gz NWLRKOPZYMMEON-MRXNPFEDSA-N 1 0 324.440 2.359 50 0 DEAARO O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CC[NH2+]C1CCCCC1 ZINC000104702086 194029944 /nfs/dbraw/zinc/02/99/44/194029944.db2.gz IERQTSBMCSZRRZ-KBPBESRZSA-N 1 0 310.825 2.426 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccco2)n1)C1CC1 ZINC000047922504 183609155 /nfs/dbraw/zinc/60/91/55/183609155.db2.gz AFUDULDXIZKTHL-CYBMUJFWSA-N 1 0 319.430 2.402 50 0 DEAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000110797698 194359397 /nfs/dbraw/zinc/35/93/97/194359397.db2.gz BJIAOXGFRHJRMS-SECBINFHSA-N 1 0 323.245 2.271 50 0 DEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2csnn2)CC1 ZINC000057076556 184026972 /nfs/dbraw/zinc/02/69/72/184026972.db2.gz DTBQDFDTJPPCQW-UHFFFAOYSA-N 1 0 316.430 2.195 50 0 DEAARO COC(=O)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000058007524 184066886 /nfs/dbraw/zinc/06/68/86/184066886.db2.gz XNOCHMLCUMLSKV-UHFFFAOYSA-N 1 0 305.378 2.081 50 0 DEAARO c1cnn(-c2ccc(C[NH2+]Cc3cnc4ccnn4c3)cc2)c1 ZINC000058364918 184109562 /nfs/dbraw/zinc/10/95/62/184109562.db2.gz KIIRFDNSJKCBJG-UHFFFAOYSA-N 1 0 304.357 2.205 50 0 DEAARO Cc1cccc(C)c1OCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000058265166 184096096 /nfs/dbraw/zinc/09/60/96/184096096.db2.gz RGWDXNAIGLRFAC-UHFFFAOYSA-N 1 0 316.405 2.079 50 0 DEAARO Cn1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000058265805 184096361 /nfs/dbraw/zinc/09/63/61/184096361.db2.gz PZDNIVKAUSWYAM-AWEZNQCLSA-N 1 0 316.380 2.410 50 0 DEAARO Cn1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000058265804 184096688 /nfs/dbraw/zinc/09/66/88/184096688.db2.gz PZDNIVKAUSWYAM-CQSZACIVSA-N 1 0 316.380 2.410 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccc(F)cc2F)C1 ZINC000058308940 184103785 /nfs/dbraw/zinc/10/37/85/184103785.db2.gz RSKSKAGPYQRAOX-GFCCVEGCSA-N 1 0 312.360 2.190 50 0 DEAARO Cc1nn(C)c(N(C)C)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000058405297 184113491 /nfs/dbraw/zinc/11/34/91/184113491.db2.gz ARDDFWFUSAWHAS-UHFFFAOYSA-N 1 0 307.486 2.147 50 0 DEAARO c1ccc(CC[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1 ZINC000061742511 184185845 /nfs/dbraw/zinc/18/58/45/184185845.db2.gz QPNKRBTXMORKQT-UHFFFAOYSA-N 1 0 323.440 2.377 50 0 DEAARO CC(=O)N1CCC([N@H+](C)Cc2cc(-c3cccnc3)no2)CC1 ZINC000065386118 184333554 /nfs/dbraw/zinc/33/35/54/184333554.db2.gz QLWVOFQDOFZDOP-UHFFFAOYSA-N 1 0 314.389 2.179 50 0 DEAARO COc1ccc(CC[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1 ZINC000065386832 184333791 /nfs/dbraw/zinc/33/37/91/184333791.db2.gz BTEZLRLQACBABS-HNNXBMFYSA-N 1 0 304.434 2.476 50 0 DEAARO CCc1c(C)nn(CC[NH2+]CCC(=O)N2CCC[C@@H](C)C2)c1C ZINC000065375241 184331255 /nfs/dbraw/zinc/33/12/55/184331255.db2.gz QOQVCFSQXQWXGT-CQSZACIVSA-N 1 0 320.481 2.301 50 0 DEAARO CCc1nc(C)c(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000065455849 184347303 /nfs/dbraw/zinc/34/73/03/184347303.db2.gz HWFFJONXZLDTOE-OKILXGFUSA-N 1 0 320.481 2.354 50 0 DEAARO C[C@H](CNC(=O)C1([NH+]2CCCC2)CCCC1)Oc1cccnc1 ZINC000065403515 184337387 /nfs/dbraw/zinc/33/73/87/184337387.db2.gz VEVHFCUHBHPKNZ-OAHLLOKOSA-N 1 0 317.433 2.374 50 0 DEAARO CCNC(=O)[C@H]1CC[N@H+](Cc2cc(C)c(OC(C)=O)c(C)c2)C1 ZINC000065406215 184338673 /nfs/dbraw/zinc/33/86/73/184338673.db2.gz YFEUAWQJQYYNQK-INIZCTEOSA-N 1 0 318.417 2.187 50 0 DEAARO O[C@@H](COc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000065541125 184363053 /nfs/dbraw/zinc/36/30/53/184363053.db2.gz SBLJHXCEDOPBCC-OAHLLOKOSA-N 1 0 301.390 2.029 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000065565631 184367293 /nfs/dbraw/zinc/36/72/93/184367293.db2.gz DFQJNRQURHQNDL-AWEZNQCLSA-N 1 0 318.339 2.256 50 0 DEAARO CC[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065576283 184368171 /nfs/dbraw/zinc/36/81/71/184368171.db2.gz YKUNRULPVVNDEH-ZFWWWQNUSA-N 1 0 317.433 2.369 50 0 DEAARO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000065503081 184356083 /nfs/dbraw/zinc/35/60/83/184356083.db2.gz QXBACFIUTRZPQG-GFCCVEGCSA-N 1 0 302.403 2.389 50 0 DEAARO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000065503078 184356382 /nfs/dbraw/zinc/35/63/82/184356382.db2.gz QXBACFIUTRZPQG-LBPRGKRZSA-N 1 0 302.403 2.389 50 0 DEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)C1 ZINC000269225481 207344866 /nfs/dbraw/zinc/34/48/66/207344866.db2.gz NIZZRCBDKUEFNI-ZENOOKHLSA-N 1 0 306.381 2.243 50 0 DEAARO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccnc(Cl)c2)C1 ZINC000286521281 219032972 /nfs/dbraw/zinc/03/29/72/219032972.db2.gz VJWUVLGJMVLSJF-KBPBESRZSA-N 1 0 323.824 2.060 50 0 DEAARO CC(C)C[C@@H](C[NH3+])NC(=O)c1csc(-c2ccccn2)n1 ZINC000155439510 197055287 /nfs/dbraw/zinc/05/52/87/197055287.db2.gz KSNYZOKEXGEICF-NSHDSACASA-N 1 0 304.419 2.308 50 0 DEAARO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1(C)C ZINC000120721737 195224286 /nfs/dbraw/zinc/22/42/86/195224286.db2.gz VFUJJEPNCCIBBL-CABCVRRESA-N 1 0 315.417 2.330 50 0 DEAARO Cc1cc(OC[C@@H](O)C[NH2+]C[C@H](C)O)c(C(C)C)cc1Cl ZINC000002624426 256515243 /nfs/dbraw/zinc/51/52/43/256515243.db2.gz MJTYNDUNVLZFHV-STQMWFEESA-N 1 0 315.841 2.482 50 0 DEAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1ccc2n[nH]nc2c1 ZINC000216517190 257273317 /nfs/dbraw/zinc/27/33/17/257273317.db2.gz IUTFFHKSIISKES-UHFFFAOYSA-N 1 0 321.384 2.176 50 0 DEAARO Cn1cc(C(=O)NCCC[NH+](C)C)c(-c2ccccc2Cl)n1 ZINC000071908109 184899679 /nfs/dbraw/zinc/89/96/79/184899679.db2.gz XDGIIFAYIRSRFA-UHFFFAOYSA-N 1 0 320.824 2.422 50 0 DEAARO Cc1ccsc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000022509251 134654688 /nfs/dbraw/zinc/65/46/88/134654688.db2.gz YVBDIXHITCJVIS-UHFFFAOYSA-N 1 0 316.430 2.456 50 0 DEAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC(=O)NCC(F)(F)F ZINC000193184521 145083537 /nfs/dbraw/zinc/08/35/37/145083537.db2.gz DOBAASBEIWFYPI-HTQZYQBOSA-N 1 0 323.340 2.175 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c2cccnc12 ZINC000299743468 292177519 /nfs/dbraw/zinc/17/75/19/292177519.db2.gz NQFVGDOHHBVZJE-CHWSQXEVSA-N 1 0 319.430 2.044 50 0 DEAARO CCCC[N@H+](C)CCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000003055626 401721541 /nfs/dbraw/zinc/72/15/41/401721541.db2.gz RCTWQUDXSNFQEY-UHFFFAOYSA-N 1 0 317.433 2.275 50 0 DEAARO CC[NH+](CC)CCCNCC(=O)N1CCCc2ccccc21 ZINC000003295809 401724042 /nfs/dbraw/zinc/72/40/42/401724042.db2.gz QTJVYLARCWMHTN-UHFFFAOYSA-N 1 0 303.450 2.287 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2cccc(O)c2)C1 ZINC000074062373 401729367 /nfs/dbraw/zinc/72/93/67/401729367.db2.gz RGHSIANPXWIVPS-HNNXBMFYSA-N 1 0 305.422 2.060 50 0 DEAARO CC(C)=CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000074142379 401731169 /nfs/dbraw/zinc/73/11/69/401731169.db2.gz FPUGDVYETOTGSA-UHFFFAOYSA-N 1 0 302.418 2.226 50 0 DEAARO COc1ccc([C@@H](CNC(=O)c2cc(C)on2)[NH+](C)C)cc1 ZINC000007987201 401746162 /nfs/dbraw/zinc/74/61/62/401746162.db2.gz FHKPHOJPBNFSJB-OAHLLOKOSA-N 1 0 303.362 2.024 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)C[C@@H]1C ZINC000071864501 401688657 /nfs/dbraw/zinc/68/86/57/401688657.db2.gz AECWMQUEOQLVCI-UONOGXRCSA-N 1 0 317.408 2.261 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000000178117 401689217 /nfs/dbraw/zinc/68/92/17/401689217.db2.gz ZRVAFLOPWDFBMG-CYBMUJFWSA-N 1 0 322.380 2.429 50 0 DEAARO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875500 401690035 /nfs/dbraw/zinc/69/00/35/401690035.db2.gz KIHGOCZMKGKMPS-QZTJIDSGSA-N 1 0 324.428 2.367 50 0 DEAARO Cc1oc(-c2ccsc2)nc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000071877386 401691108 /nfs/dbraw/zinc/69/11/08/401691108.db2.gz FQZXVBAWWDVWHF-LBPRGKRZSA-N 1 0 321.446 2.210 50 0 DEAARO Cc1ccsc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000071885834 401692445 /nfs/dbraw/zinc/69/24/45/401692445.db2.gz CXUMNRPNPQZEAC-HNNXBMFYSA-N 1 0 321.490 2.299 50 0 DEAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)[C@@H]1COc2ccccc2O1 ZINC000000316374 401694544 /nfs/dbraw/zinc/69/45/44/401694544.db2.gz NNCGNPRKCLJWQT-BBRMVZONSA-N 1 0 305.374 2.244 50 0 DEAARO Cc1ccc(C[C@@H](C)[N@H+](C)CCC(=O)N2CCOCC2)cc1 ZINC000071915729 401696936 /nfs/dbraw/zinc/69/69/36/401696936.db2.gz FKXBAQHPIWLAJF-MRXNPFEDSA-N 1 0 304.434 2.107 50 0 DEAARO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccc2c(c1)OCCO2 ZINC000071921787 401697904 /nfs/dbraw/zinc/69/79/04/401697904.db2.gz OIUZRFFGVNYPKO-OAHLLOKOSA-N 1 0 307.390 2.085 50 0 DEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000001432615 401707799 /nfs/dbraw/zinc/70/77/99/401707799.db2.gz IJYBPRVKTGYSGW-OAHLLOKOSA-N 1 0 323.356 2.341 50 0 DEAARO Cc1ccccc1OC[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000002710203 401717281 /nfs/dbraw/zinc/71/72/81/401717281.db2.gz XLVAQTLETWDYFZ-SFHVURJKSA-N 1 0 315.413 2.229 50 0 DEAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000002888938 401719520 /nfs/dbraw/zinc/71/95/20/401719520.db2.gz LTQJKHIHHJDLLD-CHWSQXEVSA-N 1 0 304.390 2.374 50 0 DEAARO COc1ccc(C)cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013154073 401797096 /nfs/dbraw/zinc/79/70/96/401797096.db2.gz PWQWNNCELSLHDD-OKILXGFUSA-N 1 0 306.406 2.441 50 0 DEAARO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)c1 ZINC000114487986 401801792 /nfs/dbraw/zinc/80/17/92/401801792.db2.gz LBNFEXOHRXKFDX-INIZCTEOSA-N 1 0 310.442 2.449 50 0 DEAARO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cnn(C)c1 ZINC000114487984 401801860 /nfs/dbraw/zinc/80/18/60/401801860.db2.gz LBNFEXOHRXKFDX-MRXNPFEDSA-N 1 0 310.442 2.449 50 0 DEAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](Cc3sc(C)nc3C)C2)no1 ZINC000076047367 401778703 /nfs/dbraw/zinc/77/87/03/401778703.db2.gz JCDZDYLDQOTTJC-CYBMUJFWSA-N 1 0 321.450 2.158 50 0 DEAARO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)cn1 ZINC000012094455 401778924 /nfs/dbraw/zinc/77/89/24/401778924.db2.gz CKNYAHYCGCYREX-CYBMUJFWSA-N 1 0 318.446 2.124 50 0 DEAARO COc1ccc(C[N@H+]2CCC(=O)N(CC3CC3)CC2)cc1C ZINC000012244336 401782641 /nfs/dbraw/zinc/78/26/41/401782641.db2.gz SNWNBHGVYKWWCZ-UHFFFAOYSA-N 1 0 302.418 2.448 50 0 DEAARO CC[NH+](CC)CC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000012302220 401783160 /nfs/dbraw/zinc/78/31/60/401783160.db2.gz WXOSNESQPUNWIX-OAHLLOKOSA-N 1 0 324.852 2.452 50 0 DEAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012441428 401785651 /nfs/dbraw/zinc/78/56/51/401785651.db2.gz SLPBMXKAMDYPHP-UHFFFAOYSA-N 1 0 314.426 2.224 50 0 DEAARO CCn1c(C)[n+](CC)c2cc(S(=O)(=O)C(F)F)ccc21 ZINC000012524003 401787147 /nfs/dbraw/zinc/78/71/47/401787147.db2.gz RMNNIZCFCLZWBM-UHFFFAOYSA-N 1 0 303.354 2.273 50 0 DEAARO CN1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000012755077 401791008 /nfs/dbraw/zinc/79/10/08/401791008.db2.gz NADGGHACHZPGOE-HNNXBMFYSA-N 1 0 321.852 2.125 50 0 DEAARO Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1C ZINC000076329319 401791208 /nfs/dbraw/zinc/79/12/08/401791208.db2.gz BPALRAXHOSMHNY-CQSZACIVSA-N 1 0 318.465 2.308 50 0 DEAARO Cc1ccc2nc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cn2c1 ZINC000077520608 401818722 /nfs/dbraw/zinc/81/87/22/401818722.db2.gz RJDHKMOMINTHIP-HNNXBMFYSA-N 1 0 315.417 2.461 50 0 DEAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019741167 401822970 /nfs/dbraw/zinc/82/29/70/401822970.db2.gz VJPVMUJGYOJTKE-KRWDZBQOSA-N 1 0 315.461 2.457 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=S)c1ccsc1 ZINC000025331886 401833396 /nfs/dbraw/zinc/83/33/96/401833396.db2.gz XHXSWPHKPMSGST-GFCCVEGCSA-N 1 0 307.444 2.465 50 0 DEAARO Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc2[nH+]1 ZINC000131378562 401848974 /nfs/dbraw/zinc/84/89/74/401848974.db2.gz AOHUEIDVTOPCMG-ZDUSSCGKSA-N 1 0 319.430 2.061 50 0 DEAARO CCN1CC[NH+](C2(CNC(=O)CC(C)C)CCCCC2)CC1 ZINC000028404241 401851771 /nfs/dbraw/zinc/85/17/71/401851771.db2.gz JGEHCWMIZZZMOR-UHFFFAOYSA-N 1 0 309.498 2.489 50 0 DEAARO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc(C)s2)c1 ZINC000078553417 401855656 /nfs/dbraw/zinc/85/56/56/401855656.db2.gz VEDAFIJBTNWHTO-UHFFFAOYSA-N 1 0 324.471 2.396 50 0 DEAARO CN(Cc1nc(C2CC2)no1)C[C@H]1COc2ccccc2O1 ZINC000029525675 401856743 /nfs/dbraw/zinc/85/67/43/401856743.db2.gz YQCVRBRZQSONMZ-LBPRGKRZSA-N 1 0 301.346 2.219 50 0 DEAARO O=c1cc(CN2CCO[C@H](c3ccccc3)C2)nc2ccccn12 ZINC000029535552 401857149 /nfs/dbraw/zinc/85/71/49/401857149.db2.gz YRJRTKOKVTWQNE-KRWDZBQOSA-N 1 0 321.380 2.268 50 0 DEAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCO)CC2 ZINC000077387850 401813346 /nfs/dbraw/zinc/81/33/46/401813346.db2.gz VWVHBYRASSDHPF-UHFFFAOYSA-N 1 0 322.836 2.147 50 0 DEAARO CC(C)c1nccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000077394200 401813921 /nfs/dbraw/zinc/81/39/21/401813921.db2.gz OXBHZPGCIFATFU-KRWDZBQOSA-N 1 0 318.465 2.287 50 0 DEAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)N1CCCC1 ZINC000014949228 401814448 /nfs/dbraw/zinc/81/44/48/401814448.db2.gz YEAINLXCWNBLPP-HNNXBMFYSA-N 1 0 320.433 2.387 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000041028276 401926978 /nfs/dbraw/zinc/92/69/78/401926978.db2.gz VTDMTURNUOAKSB-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CC1 ZINC000041617340 401929516 /nfs/dbraw/zinc/92/95/16/401929516.db2.gz YHUDTCPVWAWHNC-OAHLLOKOSA-N 1 0 301.434 2.113 50 0 DEAARO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccn(C)c(=O)c1 ZINC000042112692 401931560 /nfs/dbraw/zinc/93/15/60/401931560.db2.gz QIVJRBFJIVNTKQ-UHFFFAOYSA-N 1 0 300.358 2.136 50 0 DEAARO CC(=O)c1c(C)[nH]c(C(=O)NCCC[NH+]2CCCCC2)c1C ZINC000032748147 401881945 /nfs/dbraw/zinc/88/19/45/401881945.db2.gz WTDLHCDORJDUOS-UHFFFAOYSA-N 1 0 305.422 2.440 50 0 DEAARO C[C@H]1CCC[N@H+](CCCCn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000032930017 401886694 /nfs/dbraw/zinc/88/66/94/401886694.db2.gz HDMOLELJYCHRQM-AWEZNQCLSA-N 1 0 315.417 2.202 50 0 DEAARO CCn1nc(C(=O)NCC[NH+](C)C)cc1-c1ccc(F)c(F)c1 ZINC000034901877 401894061 /nfs/dbraw/zinc/89/40/61/401894061.db2.gz GVMDWBXGQFWQQJ-UHFFFAOYSA-N 1 0 322.359 2.140 50 0 DEAARO O=C(C[C@H]1COCCN1CC[NH+]1CCCCC1)c1ccccc1 ZINC000134195484 401899938 /nfs/dbraw/zinc/89/99/38/401899938.db2.gz CPDOONAQKWHGNU-SFHVURJKSA-N 1 0 316.445 2.446 50 0 DEAARO [NH3+][C@@H]1CCCCN(C(=O)c2nc3ccc(Cl)cn3c2F)C1 ZINC000082108943 401900079 /nfs/dbraw/zinc/90/00/79/401900079.db2.gz SJORMYLVWCKGAY-SNVBAGLBSA-N 1 0 310.760 2.080 50 0 DEAARO Cc1ccccc1OCc1nc(C(=O)NCC[NH+](C)C)cs1 ZINC000036084555 401902173 /nfs/dbraw/zinc/90/21/73/401902173.db2.gz JXKKTPGTHQQLET-UHFFFAOYSA-N 1 0 319.430 2.322 50 0 DEAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1[NH+](C)C ZINC000084714257 401908983 /nfs/dbraw/zinc/90/89/83/401908983.db2.gz FQXBPCJXDRBUJY-DGFSRKRXSA-N 1 0 308.809 2.052 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000091706746 401998058 /nfs/dbraw/zinc/99/80/58/401998058.db2.gz OILJJQGGARPRMI-KRWDZBQOSA-N 1 0 312.417 2.363 50 0 DEAARO c1ncn([C@@H]2CCC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)n1 ZINC000089851364 401967713 /nfs/dbraw/zinc/96/77/13/401967713.db2.gz DFFPYAYNGRSWKR-OAHLLOKOSA-N 1 0 324.388 2.208 50 0 DEAARO CC(=O)NCCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000089930008 401974020 /nfs/dbraw/zinc/97/40/20/401974020.db2.gz YAOFVBFGWVZMGH-INIZCTEOSA-N 1 0 303.450 2.109 50 0 DEAARO COCCOc1cccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)c1 ZINC000089937576 401975013 /nfs/dbraw/zinc/97/50/13/401975013.db2.gz OPCJWAXKBYOCDQ-KDOFPFPSSA-N 1 0 320.433 2.058 50 0 DEAARO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCOC)CC2)C12CCCC2 ZINC000089986146 401977235 /nfs/dbraw/zinc/97/72/35/401977235.db2.gz GZRSJFZVAPCUER-SJORKVTESA-N 1 0 310.482 2.425 50 0 DEAARO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000048354071 401998886 /nfs/dbraw/zinc/99/88/86/401998886.db2.gz WIEKFYOAHCHTJZ-UHFFFAOYSA-N 1 0 302.465 2.067 50 0 DEAARO Cc1noc(C)c1CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000044442918 401942788 /nfs/dbraw/zinc/94/27/88/401942788.db2.gz MDRLAEDNAXWLFW-UHFFFAOYSA-N 1 0 305.422 2.311 50 0 DEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000089346445 401942984 /nfs/dbraw/zinc/94/29/84/401942984.db2.gz NTURHXBTGOFGLU-CVEARBPZSA-N 1 0 311.447 2.135 50 0 DEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cncn2)cc1 ZINC000053721110 402059418 /nfs/dbraw/zinc/05/94/18/402059418.db2.gz KSVZZRHZIAJLSP-AWEZNQCLSA-N 1 0 313.405 2.291 50 0 DEAARO COc1ccc(CC[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000050274402 402026634 /nfs/dbraw/zinc/02/66/34/402026634.db2.gz CQQOUSLFWVECTH-GOSISDBHSA-N 1 0 310.397 2.150 50 0 DEAARO Cc1ccc(NCCCNC(=O)[C@H]2CCCCC[N@H+]2C)nc1 ZINC000095359464 402027912 /nfs/dbraw/zinc/02/79/12/402027912.db2.gz ZSQBVDBVSLWAQY-OAHLLOKOSA-N 1 0 304.438 2.183 50 0 DEAARO CN(C)c1ccc(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000095366474 402028614 /nfs/dbraw/zinc/02/86/14/402028614.db2.gz VDVMFRVSPWMJNZ-QGZVFWFLSA-N 1 0 303.450 2.286 50 0 DEAARO Cn1nccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095391933 402031934 /nfs/dbraw/zinc/03/19/34/402031934.db2.gz MLOQWFROOSXYGV-DLBZAZTESA-N 1 0 324.428 2.157 50 0 DEAARO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cnccc1N(C)C)C2 ZINC000095940049 402035093 /nfs/dbraw/zinc/03/50/93/402035093.db2.gz XFTFIKGXFUNCPN-OAHLLOKOSA-N 1 0 313.401 2.250 50 0 DEAARO Cn1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000095980820 402041291 /nfs/dbraw/zinc/04/12/91/402041291.db2.gz HKLLPUAVNBUYIQ-UHFFFAOYSA-N 1 0 306.454 2.289 50 0 DEAARO COc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000095984487 402041949 /nfs/dbraw/zinc/04/19/49/402041949.db2.gz VKWZXLRBBOVCMH-UPJWGTAASA-N 1 0 324.396 2.121 50 0 DEAARO CC(C)([NH2+]CC(=O)NCc1cccnc1)c1cccc(F)c1 ZINC000095985268 402042617 /nfs/dbraw/zinc/04/26/17/402042617.db2.gz XAPRBKKOAPICJH-UHFFFAOYSA-N 1 0 301.365 2.362 50 0 DEAARO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000096005714 402046023 /nfs/dbraw/zinc/04/60/23/402046023.db2.gz ZUUABAIHPVBLJA-QGZVFWFLSA-N 1 0 312.417 2.354 50 0 DEAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@@H]1C ZINC000096004777 402046053 /nfs/dbraw/zinc/04/60/53/402046053.db2.gz RRHZACOTQPQRMH-XJKCOSOUSA-N 1 0 314.495 2.357 50 0 DEAARO CCN(CCN1CC[NH+](C)CC1)c1nc(C)nc2sccc21 ZINC000055089607 402075629 /nfs/dbraw/zinc/07/56/29/402075629.db2.gz RNSKGAAFBQGTDG-UHFFFAOYSA-N 1 0 319.478 2.073 50 0 DEAARO Cc1ccc2nc(N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)cc(C)c2c1 ZINC000055166463 402077117 /nfs/dbraw/zinc/07/71/17/402077117.db2.gz DPPGNROWAQYRHU-ROUUACIJSA-N 1 0 311.429 2.497 50 0 DEAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(CC)s2)CC1 ZINC000055221490 402077953 /nfs/dbraw/zinc/07/79/53/402077953.db2.gz XVKHNAUHVRCYSB-UHFFFAOYSA-N 1 0 316.492 2.463 50 0 DEAARO COc1c(C)cc([C@@H](C(=O)[O-])[N@H+](C)CCC[NH+](C)C)cc1C ZINC000055255726 402079133 /nfs/dbraw/zinc/07/91/33/402079133.db2.gz JZJXIVZRACKFQZ-HNNXBMFYSA-N 1 0 308.422 2.321 50 0 DEAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3C=CC[NH2+]3)cc2)o1 ZINC000055327081 402079682 /nfs/dbraw/zinc/07/96/82/402079682.db2.gz 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Cc1ccc(-c2noc3ncnc(N4CC[NH+](C)CC4)c23)cc1 ZINC000033269114 280738748 /nfs/dbraw/zinc/73/87/48/280738748.db2.gz PPTKLMKNRXSTDC-UHFFFAOYSA-N 1 0 309.373 2.345 50 0 DEAARO Cc1ccc2ncccc2c1C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000215018175 281171694 /nfs/dbraw/zinc/17/16/94/281171694.db2.gz UVUVZSBRPFPPPG-SFHVURJKSA-N 1 0 300.402 2.253 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(Br)cc1 ZINC000493273383 303422909 /nfs/dbraw/zinc/42/29/09/303422909.db2.gz XRFBHYLZLBWDKR-DMTLFAOVSA-N 1 0 309.207 2.412 50 0 DEAARO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061884056 303425056 /nfs/dbraw/zinc/42/50/56/303425056.db2.gz XNOMNOLMVNIDFN-KOLCDFICSA-N 1 0 322.352 2.111 50 0 DEAARO CC1(C)CC(NC(=O)N2CC(c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000534579704 334288931 /nfs/dbraw/zinc/28/89/31/334288931.db2.gz QNRKTJVITBYYOY-UHFFFAOYSA-N 1 0 316.449 2.500 50 0 DEAARO CCOc1ccccc1CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000534631015 334307456 /nfs/dbraw/zinc/30/74/56/334307456.db2.gz FCFRDZJSPXLARH-INIZCTEOSA-N 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PDSBTEFRGNHUQQ-MRXNPFEDSA-N 1 0 314.429 2.230 50 0 DEAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1C ZINC000245964105 534378838 /nfs/dbraw/zinc/37/88/38/534378838.db2.gz DTMRFTAURGAQIF-GXTWGEPZSA-N 1 0 322.405 2.236 50 0 DEAARO Cc1nc(CCC(=O)N2CC[NH2+][C@@H](C)C2)oc1-c1ccccc1 ZINC000155087246 526803835 /nfs/dbraw/zinc/80/38/35/526803835.db2.gz SWMIGZXYQCZSRF-ZDUSSCGKSA-N 1 0 313.401 2.403 50 0 DEAARO CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242273515 527713527 /nfs/dbraw/zinc/71/35/27/527713527.db2.gz YDHJNFKRRRBVIO-ROUUACIJSA-N 1 0 315.461 2.422 50 0 DEAARO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCC[C@@]1(C)CO ZINC000348225179 535785727 /nfs/dbraw/zinc/78/57/27/535785727.db2.gz SPIDATZSHPOKDU-SFHVURJKSA-N 1 0 322.424 2.411 50 0 DEAARO COc1cc(OC)c(OC)cc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C ZINC000022078264 623451223 /nfs/dbraw/zinc/45/12/23/623451223.db2.gz SSEQCNMXUZEZGH-DZGCQCFKSA-N 1 0 320.433 2.381 50 0 DEAARO Cc1ccc(NC(=O)[C@H]2CCCCC(=O)N2)c(C[NH+](C)C)c1 ZINC000194123973 625689370 /nfs/dbraw/zinc/68/93/70/625689370.db2.gz YPAHGORHHWFXPU-OAHLLOKOSA-N 1 0 303.406 2.054 50 0 DEAARO CCON1CCC([NH2+]CCn2c(C)nc3ccccc32)CC1 ZINC000323523547 634563313 /nfs/dbraw/zinc/56/33/13/634563313.db2.gz UUZVORITMQJAGQ-UHFFFAOYSA-N 1 0 302.422 2.350 50 0 DEAARO COc1ccc(/C=C/CN2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000012386559 636537486 /nfs/dbraw/zinc/53/74/86/636537486.db2.gz QRJJEVHMJHJLJZ-WRFKIARRSA-N 1 0 304.434 2.361 50 0 DEAARO Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)nc1N(C)C ZINC000065493681 683923482 /nfs/dbraw/zinc/92/34/82/683923482.db2.gz WTAHARQLSQUXOK-UHFFFAOYSA-N 1 0 303.454 2.306 50 0 DEAARO CC(=O)Nc1ccsc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072120748 683927714 /nfs/dbraw/zinc/92/77/14/683927714.db2.gz BNAAJNRKXKACKE-LBPRGKRZSA-N 1 0 309.435 2.263 50 0 DEAARO COCC[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000088549329 684017246 /nfs/dbraw/zinc/01/72/46/684017246.db2.gz GBPQYUXFSMUJPK-AWEZNQCLSA-N 1 0 321.417 2.478 50 0 DEAARO COCc1ncc(C[N@@H+]2CCc3ccc(OC)cc3CC2)cn1 ZINC000095375918 684052987 /nfs/dbraw/zinc/05/29/87/684052987.db2.gz HKCZRNWVXVIZHH-UHFFFAOYSA-N 1 0 313.401 2.232 50 0 DEAARO C[C@@H]1CCC[N@H+](CCNC(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000098007738 684055783 /nfs/dbraw/zinc/05/57/83/684055783.db2.gz APHAVSNSLUJRKX-ZQMJAJRESA-N 1 0 314.429 2.483 50 0 DEAARO COc1cncc(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000585133909 790327055 /nfs/dbraw/zinc/32/70/55/790327055.db2.gz ZMFATNGKFFZYPA-UHFFFAOYSA-N 1 0 318.465 2.088 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)c2ccco2)C1)C1CCN(C)CC1 ZINC000581799638 777828899 /nfs/dbraw/zinc/82/88/99/777828899.db2.gz BKSCZQANWFFGQJ-UHFFFAOYSA-N 1 0 319.449 2.156 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccoc2)CC1)c1cscn1 ZINC000828210182 783766283 /nfs/dbraw/zinc/76/62/83/783766283.db2.gz WZNVAZALQPAFID-UHFFFAOYSA-N 1 0 305.403 2.378 50 0 DEAARO COCCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCCCC1)CCO2 ZINC000581784304 784777523 /nfs/dbraw/zinc/77/75/23/784777523.db2.gz QIOSUTMZCHIDSC-MRXNPFEDSA-N 1 0 324.465 2.049 50 0 DEAARO CC(C)CC(=O)N1CCC2(C[N@@H+](C3CCC3)C[C@H]2CO)CC1 ZINC000581801197 784780823 /nfs/dbraw/zinc/78/08/23/784780823.db2.gz FVJDAKWHLPWOSL-HNNXBMFYSA-N 1 0 308.466 2.118 50 0 DEAARO O=C(C1CCCC1)N1CCC2(CC[C@H]2[NH+]2CCOCC2)CC1 ZINC000581803940 784785215 /nfs/dbraw/zinc/78/52/15/784785215.db2.gz WPFNBIFGNYKOLS-MRXNPFEDSA-N 1 0 306.450 2.280 50 0 DEAARO CSC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000585087292 789688028 /nfs/dbraw/zinc/68/80/28/789688028.db2.gz VXDUZXNRWLYACV-UHFFFAOYSA-N 1 0 322.883 2.219 50 0 DEAARO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000952877654 792793317 /nfs/dbraw/zinc/79/33/17/792793317.db2.gz SVNADZVMADWJTO-KFNAQCHYSA-N 1 0 322.380 2.342 50 0 DEAARO O=C1NCCn2ncc(-c3ccc(C[NH+]4CCCCC4)cc3)c21 ZINC000952884084 792798563 /nfs/dbraw/zinc/79/85/63/792798563.db2.gz WELHRHHPJPVZQA-UHFFFAOYSA-N 1 0 310.401 2.279 50 0 DEAARO CN1CC[NH+](C[C@H]2CCCN(Cc3cnccc3Cl)C2)CC1 ZINC000952865040 792799487 /nfs/dbraw/zinc/79/94/87/792799487.db2.gz NTUKUWLGZWOUBR-OAHLLOKOSA-N 1 0 322.884 2.194 50 0 DEAARO CCn1ncnc1C[NH2+][C@H]1CCCN(Cc2cccs2)C1 ZINC000952973802 792835092 /nfs/dbraw/zinc/83/50/92/792835092.db2.gz HUQGCAYSHJAMMX-ZDUSSCGKSA-N 1 0 305.451 2.114 50 0 DEAARO Cc1nnc(NCC[N@@H+]2CCC[C@H](CO)C2)c2ccccc12 ZINC000952976933 792840065 /nfs/dbraw/zinc/84/00/65/792840065.db2.gz RAFRDFMMRVBCLC-AWEZNQCLSA-N 1 0 300.406 2.054 50 0 DEAARO CC1=C(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)OCCO1 ZINC000952980628 792847577 /nfs/dbraw/zinc/84/75/77/792847577.db2.gz QOTRDXBYVKXPEI-UHFFFAOYSA-N 1 0 308.422 2.132 50 0 DEAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(C(C)=O)cn1C)C2 ZINC000952968078 792848557 /nfs/dbraw/zinc/84/85/57/792848557.db2.gz AIWIUNBWOAFOHR-OAHLLOKOSA-N 1 0 314.385 2.330 50 0 DEAARO FC(F)(F)c1nc(C[NH2+]CCn2ccnc2)c2n1CCCC2 ZINC000952992828 792854508 /nfs/dbraw/zinc/85/45/08/792854508.db2.gz SDJVXXKFMUHBHW-UHFFFAOYSA-N 1 0 313.327 2.225 50 0 DEAARO Cc1ccoc1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000952988954 792869140 /nfs/dbraw/zinc/86/91/40/792869140.db2.gz ASMGRFKRRRDWLQ-OAHLLOKOSA-N 1 0 306.406 2.066 50 0 DEAARO C[C@H](CN(C)CCO)[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000952989408 792869255 /nfs/dbraw/zinc/86/92/55/792869255.db2.gz VDCLSEGFFNKVSB-QGZVFWFLSA-N 1 0 311.514 2.077 50 0 DEAARO CC[C@@H](C)CC(=O)N1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000048218427 797116956 /nfs/dbraw/zinc/11/69/56/797116956.db2.gz ZGDITMQIWVECMC-GFCCVEGCSA-N 1 0 307.442 2.072 50 0 DEAARO Cc1[nH+]c(N2CCCC2)nc(NCCCn2cccn2)c1C ZINC001529100039 1070853835 /nfs/dbraw/zinc/85/38/35/1070853835.db2.gz NDFHOQIUUPUSQM-UHFFFAOYSA-N 1 0 300.410 2.392 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)c2cc(C3CC3)no2)CC1 ZINC001529125626 1070870294 /nfs/dbraw/zinc/87/02/94/1070870294.db2.gz SARNLFPZQCXOEX-UHFFFAOYSA-N 1 0 315.377 2.268 50 0 DEAARO CCc1nccn1C[C@@H](C)[NH2+]CCCc1nnc2ccccn21 ZINC001506396199 1061937121 /nfs/dbraw/zinc/93/71/21/1061937121.db2.gz PKVWDCSJRFYIFI-CQSZACIVSA-N 1 0 312.421 2.099 50 0 DEAARO COc1ccc([C@H](O)C(=O)N(C)CC[N@H+](C)C2CCCC2)cc1 ZINC001506405065 1061947928 /nfs/dbraw/zinc/94/79/28/1061947928.db2.gz UUSUWHSZOHRXRK-KRWDZBQOSA-N 1 0 320.433 2.061 50 0 DEAARO CC(C)[C@@H](CNC(=O)/C=C/c1cc(CO)cs1)[NH+]1CCCC1 ZINC001506414114 1061958172 /nfs/dbraw/zinc/95/81/72/1061958172.db2.gz CJUPGPZPRZRWBT-SQRWCISFSA-N 1 0 322.474 2.490 50 0 DEAARO O=C(c1cccnc1)N1CCC([NH+]2CC(c3ccccn3)C2)CC1 ZINC001506415956 1061961161 /nfs/dbraw/zinc/96/11/61/1061961161.db2.gz FLBCRPIGTDMWQQ-UHFFFAOYSA-N 1 0 322.412 2.181 50 0 DEAARO Cc1c[nH]c([C@H](C)[NH2+]C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC001506418759 1061964223 /nfs/dbraw/zinc/96/42/23/1061964223.db2.gz SNDNSLWXRUHFNK-ZDUSSCGKSA-N 1 0 313.405 2.069 50 0 DEAARO CCC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1[NH+](C)C ZINC000095506786 185375675 /nfs/dbraw/zinc/37/56/75/185375675.db2.gz YTRNKXAZXLTDAO-NVXWUHKLSA-N 1 0 304.434 2.426 50 0 DEAARO NC(=O)Cn1ccnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000095528328 185378385 /nfs/dbraw/zinc/37/83/85/185378385.db2.gz DGNAGJFKFRFRFE-AUNFYEFLSA-N 1 0 324.428 2.261 50 0 DEAARO COc1ccc2nc(C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)ccc2c1 ZINC000078894626 185123902 /nfs/dbraw/zinc/12/39/02/185123902.db2.gz WQUROYOMUVGSLQ-SJCJKPOMSA-N 1 0 313.401 2.266 50 0 DEAARO CCCc1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)no1 ZINC000082098086 192355640 /nfs/dbraw/zinc/35/56/40/192355640.db2.gz KHLVPVQPWRMWQE-UHFFFAOYSA-N 1 0 323.462 2.281 50 0 DEAARO Cc1ccccc1OCC(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699941 185310672 /nfs/dbraw/zinc/31/06/72/185310672.db2.gz ADDOGRTUGMNHOW-OAHLLOKOSA-N 1 0 322.474 2.270 50 0 DEAARO Cc1c2nnc(C(F)(F)F)n2nc(SCC[NH+](C)C)c1C ZINC000092675588 185333209 /nfs/dbraw/zinc/33/32/09/185333209.db2.gz RAEAFVOHOWGUAS-UHFFFAOYSA-N 1 0 319.356 2.414 50 0 DEAARO O=C(Cc1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095391234 185351374 /nfs/dbraw/zinc/35/13/74/185351374.db2.gz QEACDMYECXJOCJ-QZTJIDSGSA-N 1 0 313.445 2.347 50 0 DEAARO Cc1nn(C)c(N(C)C)c1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000058392210 282268737 /nfs/dbraw/zinc/26/87/37/282268737.db2.gz BOMKDSHEWHWKRU-KRWDZBQOSA-N 1 0 315.465 2.187 50 0 DEAARO CCNC(=O)c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000095395767 185352657 /nfs/dbraw/zinc/35/26/57/185352657.db2.gz ZZMCLMFMMHMUAE-MRXNPFEDSA-N 1 0 316.449 2.286 50 0 DEAARO C[C@H]([NH2+]C1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1 ZINC000095396877 185352876 /nfs/dbraw/zinc/35/28/76/185352876.db2.gz YPJNVPJXVJKWST-AWEZNQCLSA-N 1 0 317.433 2.348 50 0 DEAARO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095421169 185360566 /nfs/dbraw/zinc/36/05/66/185360566.db2.gz PHCIOCPEHVFIRX-KGLIPLIRSA-N 1 0 315.421 2.236 50 0 DEAARO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccccc2O)cc1F ZINC000095448166 185368223 /nfs/dbraw/zinc/36/82/23/185368223.db2.gz HCKDDXXONLOOQH-UHFFFAOYSA-N 1 0 316.376 2.452 50 0 DEAARO Cn1ncc(C[N@H+](C)C2CCC(CO)CC2)c1C(F)(F)F ZINC000095442003 185366541 /nfs/dbraw/zinc/36/65/41/185366541.db2.gz GLASSIHYEZKYKC-UHFFFAOYSA-N 1 0 305.344 2.422 50 0 DEAARO [NH3+][C@@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000095466794 185372119 /nfs/dbraw/zinc/37/21/19/185372119.db2.gz IVXCZCZTIFLMJS-IAGOWNOFSA-N 1 0 314.385 2.487 50 0 DEAARO C[C@@]([NH3+])(C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)C1CC1 ZINC000097049380 185403602 /nfs/dbraw/zinc/40/36/02/185403602.db2.gz UOEKVXPCMCOXSA-ZBFHGGJFSA-N 1 0 308.809 2.447 50 0 DEAARO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000097086563 185408302 /nfs/dbraw/zinc/40/83/02/185408302.db2.gz KIWXDLBZKVCECY-HUUCEWRRSA-N 1 0 316.449 2.497 50 0 DEAARO Cc1ccc2nc(C[NH+]3CCC4(CC3)OC[C@@H](C)O4)cn2c1 ZINC000084088429 539392328 /nfs/dbraw/zinc/39/23/28/539392328.db2.gz IYWXHBHCUVZFNN-CQSZACIVSA-N 1 0 301.390 2.370 50 0 DEAARO Cc1nc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)sc1C ZINC000084064515 539392502 /nfs/dbraw/zinc/39/25/02/539392502.db2.gz WOWMAOIOJXZLQR-CYBMUJFWSA-N 1 0 324.450 2.135 50 0 DEAARO CC[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 ZINC000084718747 539398094 /nfs/dbraw/zinc/39/80/94/539398094.db2.gz ROVCGQJFOOAQSK-CHWSQXEVSA-N 1 0 317.393 2.064 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000227187650 201795956 /nfs/dbraw/zinc/79/59/56/201795956.db2.gz PHWIAOYUBOJFAN-RYUDHWBXSA-N 1 0 316.854 2.396 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000070173451 190867347 /nfs/dbraw/zinc/86/73/47/190867347.db2.gz LHOCAUSNPDVUIH-UWVGGRQHSA-N 1 0 320.817 2.227 50 0 DEAARO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000083888550 192389047 /nfs/dbraw/zinc/38/90/47/192389047.db2.gz IIXUUNOIYHJLBG-WBVHZDCISA-N 1 0 324.465 2.047 50 0 DEAARO CN(C)c1ccc(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000072125420 191041235 /nfs/dbraw/zinc/04/12/35/191041235.db2.gz CQMROCVHAMVCKS-INIZCTEOSA-N 1 0 303.450 2.238 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000072154247 191059144 /nfs/dbraw/zinc/05/91/44/191059144.db2.gz IQXOSVYUAGEGAV-SFHVURJKSA-N 1 0 304.434 2.123 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000072167015 191066840 /nfs/dbraw/zinc/06/68/40/191066840.db2.gz IKCLUNMVZDHWQK-MRXNPFEDSA-N 1 0 321.446 2.148 50 0 DEAARO CC1(C)CN(C(=O)c2ccc(Br)s2)CC[NH2+]1 ZINC000148085199 186043298 /nfs/dbraw/zinc/04/32/98/186043298.db2.gz INYURMYULMKFLS-UHFFFAOYSA-N 1 0 303.225 2.335 50 0 DEAARO COc1ccc(NC(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000072280930 191100847 /nfs/dbraw/zinc/10/08/47/191100847.db2.gz HNTPSBZOOCJTEP-UHFFFAOYSA-N 1 0 321.421 2.270 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)n(C)n1 ZINC000072296425 191111707 /nfs/dbraw/zinc/11/17/07/191111707.db2.gz GVEDPRXCZXVJAL-INIZCTEOSA-N 1 0 315.421 2.357 50 0 DEAARO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000225599424 186281998 /nfs/dbraw/zinc/28/19/98/186281998.db2.gz FXDPOVRHLTXGTM-XJKSGUPXSA-N 1 0 312.454 2.384 50 0 DEAARO Cc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc(Cl)n1 ZINC000225605603 186282944 /nfs/dbraw/zinc/28/29/44/186282944.db2.gz UZLMZJCZYGQTEW-AWEZNQCLSA-N 1 0 309.841 2.198 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)[C@H]1C[NH3+] ZINC000237449602 186291361 /nfs/dbraw/zinc/29/13/61/186291361.db2.gz MGDMHOGPHQAMNG-WBMJQRKESA-N 1 0 316.380 2.211 50 0 DEAARO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237456615 186292252 /nfs/dbraw/zinc/29/22/52/186292252.db2.gz JGRCPUZWOROCKL-ZFWWWQNUSA-N 1 0 312.417 2.380 50 0 DEAARO c1cn(-c2ccc3[nH]ncc3c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072427331 191161035 /nfs/dbraw/zinc/16/10/35/191161035.db2.gz XLIIUAMTHVANLL-UHFFFAOYSA-N 1 0 319.372 2.105 50 0 DEAARO C[NH+]1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn32)CC1 ZINC000072436396 191166070 /nfs/dbraw/zinc/16/60/70/191166070.db2.gz YIJLLRBZKFCOSD-UHFFFAOYSA-N 1 0 311.364 2.287 50 0 DEAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000072430301 191163351 /nfs/dbraw/zinc/16/33/51/191163351.db2.gz VPYUWIJCTSIKKV-JTQLQIEISA-N 1 0 318.343 2.375 50 0 DEAARO COc1ccc2ccccc2c1C[N@@H+]1CCOC[C@H](CO)C1 ZINC000072453461 191170905 /nfs/dbraw/zinc/17/09/05/191170905.db2.gz NHVZBTIUGGKGAU-AWEZNQCLSA-N 1 0 301.386 2.289 50 0 DEAARO CC(C)(O)CCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000072479709 191180815 /nfs/dbraw/zinc/18/08/15/191180815.db2.gz QDIQCSYFVMMOIZ-QGZVFWFLSA-N 1 0 316.445 2.310 50 0 DEAARO c1cn(-c2cccc3c2CCC3)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072481357 191180857 /nfs/dbraw/zinc/18/08/57/191180857.db2.gz UTJNYXOUVZJQTN-UHFFFAOYSA-N 1 0 305.385 2.328 50 0 DEAARO Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@H]3CCC[NH2+]3)cc2F)c1 ZINC000072500783 191183851 /nfs/dbraw/zinc/18/38/51/191183851.db2.gz GQMRLCPXUISRCN-SWLSCSKDSA-N 1 0 316.380 2.249 50 0 DEAARO Cc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000003305618 181003110 /nfs/dbraw/zinc/00/31/10/181003110.db2.gz UMBGUBWLIWLODA-INIZCTEOSA-N 1 0 301.386 2.403 50 0 DEAARO C[NH+](C)C1(CNC(=O)[C@@H]2COc3ccccc3O2)CCCCC1 ZINC000003415425 181017063 /nfs/dbraw/zinc/01/70/63/181017063.db2.gz YDHWELICILYQRW-INIZCTEOSA-N 1 0 318.417 2.207 50 0 DEAARO CCN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000022940622 354056493 /nfs/dbraw/zinc/05/64/93/354056493.db2.gz XLADGMJAOJTUKK-IAGOWNOFSA-N 1 0 306.450 2.117 50 0 DEAARO CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C ZINC000004214983 181085388 /nfs/dbraw/zinc/08/53/88/181085388.db2.gz NMPOSNRHZIWLLL-XUWVNRHRSA-N 1 0 317.385 2.258 50 0 endogenous,world DEAARO O=C(NC1CC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256274 354680829 /nfs/dbraw/zinc/68/08/29/354680829.db2.gz LSUUDHQFEKYBDJ-QGZVFWFLSA-N 1 0 322.412 2.125 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)CCn1cccc1)c1cccc(F)c1 ZINC000072306905 354900688 /nfs/dbraw/zinc/90/06/88/354900688.db2.gz BTAMMXPFWSKQJQ-INIZCTEOSA-N 1 0 303.381 2.436 50 0 DEAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)c(OC)c1 ZINC000004856185 181163955 /nfs/dbraw/zinc/16/39/55/181163955.db2.gz KNQLXRQULVYNMC-AWEZNQCLSA-N 1 0 307.390 2.123 50 0 DEAARO CC1(C)C(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)C1(C)C ZINC000073858819 354987485 /nfs/dbraw/zinc/98/74/85/354987485.db2.gz FXXLUODSWFSSTG-UHFFFAOYSA-N 1 0 308.466 2.382 50 0 DEAARO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1CCOc1ccc(F)cc1 ZINC000075104333 355068859 /nfs/dbraw/zinc/06/88/59/355068859.db2.gz SNLIRKCFALWXBJ-IAGOWNOFSA-N 1 0 322.424 2.126 50 0 DEAARO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000076047080 355121208 /nfs/dbraw/zinc/12/12/08/355121208.db2.gz QRQDFLSUUYULMB-AAEUAGOBSA-N 1 0 317.393 2.194 50 0 DEAARO CC(C)c1nc(CN2CCC([NH+]3CCCCC3)CC2)cc(=O)[nH]1 ZINC000075551850 355092216 /nfs/dbraw/zinc/09/22/16/355092216.db2.gz DZJCUSGCPAXVGT-UHFFFAOYSA-N 1 0 318.465 2.344 50 0 DEAARO c1nnc(CC[NH2+]Cc2cccc3c2OCCCO3)n1C1CC1 ZINC000076331835 355142094 /nfs/dbraw/zinc/14/20/94/355142094.db2.gz YYTPJWMKXBBYMO-UHFFFAOYSA-N 1 0 314.389 2.107 50 0 DEAARO COc1ccc(CN(C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000004951300 181178386 /nfs/dbraw/zinc/17/83/86/181178386.db2.gz COXOERAAJWPVCQ-UHFFFAOYSA-N 1 0 308.422 2.238 50 0 DEAARO CC(=O)Oc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000079059201 355294491 /nfs/dbraw/zinc/29/44/91/355294491.db2.gz HLMKOBGTKVOZJV-UHFFFAOYSA-N 1 0 300.362 2.041 50 0 DEAARO Cc1occc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000075144316 191432006 /nfs/dbraw/zinc/43/20/06/191432006.db2.gz JAHIPERKSBSBNC-UHFFFAOYSA-N 1 0 301.346 2.001 50 0 DEAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000092929682 355658089 /nfs/dbraw/zinc/65/80/89/355658089.db2.gz QYHWILUPDAMZAA-QWHCGFSZSA-N 1 0 317.437 2.475 50 0 DEAARO CN1C(=O)N[C@@](C)([C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1=O ZINC000095402580 355697147 /nfs/dbraw/zinc/69/71/47/355697147.db2.gz FWLBVXUWHBOZKH-PBHICJAKSA-N 1 0 307.438 2.219 50 0 DEAARO CC(C)[NH+](CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21)C(C)C ZINC000096028182 355697882 /nfs/dbraw/zinc/69/78/82/355697882.db2.gz VATWEOXMKVVWJE-HZPDHXFCSA-N 1 0 323.481 2.013 50 0 DEAARO C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C1CCC1 ZINC000097096547 355701156 /nfs/dbraw/zinc/70/11/56/355701156.db2.gz RXRBCASRWZBRBW-CQSZACIVSA-N 1 0 302.422 2.097 50 0 DEAARO Cc1ccc(NC[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)nc1 ZINC000097200793 355702430 /nfs/dbraw/zinc/70/24/30/355702430.db2.gz YAVDDWUDVQZRIE-YJBOKZPZSA-N 1 0 324.428 2.350 50 0 DEAARO Nc1nnc(CC[N@@H+]2CCC[C@@H]2COc2ccccc2)s1 ZINC000097373550 355703879 /nfs/dbraw/zinc/70/38/79/355703879.db2.gz OTKWZOWTSQOYSV-GFCCVEGCSA-N 1 0 304.419 2.206 50 0 DEAARO CO[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000106779160 355726141 /nfs/dbraw/zinc/72/61/41/355726141.db2.gz MLCNIXQMQJUZSH-ULQDDVLXSA-N 1 0 302.418 2.459 50 0 DEAARO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[S@](C)=O ZINC000170591562 355986821 /nfs/dbraw/zinc/98/68/21/355986821.db2.gz ISRHFWLOFWMTDX-IDFMNXDXSA-N 1 0 310.419 2.061 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000170603117 355987918 /nfs/dbraw/zinc/98/79/18/355987918.db2.gz KYPVFUDYEICXAV-CQSZACIVSA-N 1 0 301.438 2.406 50 0 DEAARO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)c(F)cc(F)c1F ZINC000195542788 356256200 /nfs/dbraw/zinc/25/62/00/356256200.db2.gz VNPCCJWFWCRZJU-DHBOJHSNSA-N 1 0 302.271 2.256 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000229555107 356282386 /nfs/dbraw/zinc/28/23/86/356282386.db2.gz CDQCAZDGCMSHDW-KZNAEPCWSA-N 1 0 320.408 2.334 50 0 DEAARO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000285069069 356370131 /nfs/dbraw/zinc/37/01/31/356370131.db2.gz PAANBGQHRIUXLJ-QWRGUYRKSA-N 1 0 319.327 2.348 50 0 DEAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000575605286 540250264 /nfs/dbraw/zinc/25/02/64/540250264.db2.gz CKCYRAPZLPZOPV-CQSZACIVSA-N 1 0 324.371 2.196 50 0 DEAARO CCOc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000236901805 202060839 /nfs/dbraw/zinc/06/08/39/202060839.db2.gz RXQDJGUWAZKVTP-OCCSQVGLSA-N 1 0 306.406 2.293 50 0 DEAARO COC[C@]1(O)CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000409420388 356736060 /nfs/dbraw/zinc/73/60/60/356736060.db2.gz MHKCZJXWTGXSBC-KRWDZBQOSA-N 1 0 323.408 2.348 50 0 DEAARO OCC1CC[NH+](CCNc2ccnc3ccc(Cl)cc32)CC1 ZINC000584887392 357326083 /nfs/dbraw/zinc/32/60/83/357326083.db2.gz PASSJYQPLPSPQY-UHFFFAOYSA-N 1 0 319.836 2.426 50 0 DEAARO CC(C)(C)OC(=O)c1ccc(CN2CCCN(C=O)CC2)s1 ZINC000585136520 357336830 /nfs/dbraw/zinc/33/68/30/357336830.db2.gz JCJJGWNLRDDHSK-UHFFFAOYSA-N 1 0 324.446 2.368 50 0 DEAARO CC(C)[NH+]1CCC(NCc2cnc(Br)cn2)CC1 ZINC000585135824 357336965 /nfs/dbraw/zinc/33/69/65/357336965.db2.gz DKVUROBTSXEGNC-UHFFFAOYSA-N 1 0 313.243 2.202 50 0 DEAARO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1Nc1ccccc1 ZINC000585136563 357337066 /nfs/dbraw/zinc/33/70/66/357337066.db2.gz KTZGJFTWFGLFMX-OAHLLOKOSA-N 1 0 323.396 2.291 50 0 DEAARO COc1cc(C)c(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000237284102 202216898 /nfs/dbraw/zinc/21/68/98/202216898.db2.gz CIAIVGHISMRERH-KGLIPLIRSA-N 1 0 306.406 2.098 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000237340923 202238220 /nfs/dbraw/zinc/23/82/20/202238220.db2.gz CSUFOAKJLLBLIE-CJNGLKHVSA-N 1 0 304.459 2.475 50 0 DEAARO C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000237520745 202270823 /nfs/dbraw/zinc/27/08/23/202270823.db2.gz CTBXBKMPYKHYHH-JTQLQIEISA-N 1 0 304.781 2.164 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000237920222 202391887 /nfs/dbraw/zinc/39/18/87/202391887.db2.gz AKKLPRSUDMXBDO-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2c(F)ccc(OC)c2OC)CC1 ZINC000240902785 202459898 /nfs/dbraw/zinc/45/98/98/202459898.db2.gz IVKAKHOUZDJEHS-UHFFFAOYSA-N 1 0 324.396 2.447 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000237402501 296024261 /nfs/dbraw/zinc/02/42/61/296024261.db2.gz HUKNBFBIFWFDSQ-DOMZBBRYSA-N 1 0 319.430 2.125 50 0 DEAARO Cc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000670448409 540935133 /nfs/dbraw/zinc/93/51/33/540935133.db2.gz NNQNRFGZKZLWBT-OAHLLOKOSA-N 1 0 302.418 2.243 50 0 DEAARO Cc1c[nH+]ccc1NCCNC(=O)CCc1ccc(F)c(F)c1 ZINC000670467758 540937605 /nfs/dbraw/zinc/93/76/05/540937605.db2.gz LYPPNKWNLJQUJU-UHFFFAOYSA-N 1 0 319.355 2.251 50 0 DEAARO Fc1ccc(N2CC[C@@H]([NH+]3CCC(c4nnc[nH]4)CC3)C2)cc1 ZINC000670468596 540938327 /nfs/dbraw/zinc/93/83/27/540938327.db2.gz LDTMYDBXAGDHQX-MRXNPFEDSA-N 1 0 315.396 2.402 50 0 DEAARO Cc1cnc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cn1 ZINC000670468790 540938336 /nfs/dbraw/zinc/93/83/36/540938336.db2.gz JUWBSYYREDEGJX-CQSZACIVSA-N 1 0 308.389 2.207 50 0 DEAARO CC(C)Cc1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)on1 ZINC000244874911 202505158 /nfs/dbraw/zinc/50/51/58/202505158.db2.gz XJMNRYHQQFIIOX-TXEJJXNPSA-N 1 0 301.394 2.480 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)cc1 ZINC000006509268 181347906 /nfs/dbraw/zinc/34/79/06/181347906.db2.gz DQRGBXSBLIJLKR-CQSZACIVSA-N 1 0 307.463 2.144 50 0 DEAARO COC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000006760322 181384468 /nfs/dbraw/zinc/38/44/68/181384468.db2.gz CDOMJCMBQMNPDT-UHFFFAOYSA-N 1 0 315.369 2.486 50 0 biogenic DEAARO OC[C@H]1CN(Cc2ccccc2F)C[C@H]1C[NH+]1CCCCC1 ZINC000091304504 193036673 /nfs/dbraw/zinc/03/66/73/193036673.db2.gz RLYZTIPQFXLARG-IAGOWNOFSA-N 1 0 306.425 2.352 50 0 DEAARO Cc1cccc([C@H](C(=O)N2CC([NH+]3CCCCC3)C2)N(C)C)c1 ZINC000091519046 193067882 /nfs/dbraw/zinc/06/78/82/193067882.db2.gz RKRYSTAAFLXXDE-GOSISDBHSA-N 1 0 315.461 2.294 50 0 DEAARO Cc1nonc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091621092 193080582 /nfs/dbraw/zinc/08/05/82/193080582.db2.gz QJLBEUQUAUFNQT-KRWDZBQOSA-N 1 0 318.421 2.135 50 0 DEAARO Cc1ccccc1CSCC(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091768983 193103836 /nfs/dbraw/zinc/10/38/36/193103836.db2.gz UZDYHPDYBRPTQQ-CVEARBPZSA-N 1 0 304.459 2.424 50 0 DEAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cn(CCO)nc2C)C1 ZINC000092036956 193144167 /nfs/dbraw/zinc/14/41/67/193144167.db2.gz SYYIUYCCECUUDG-GOSISDBHSA-N 1 0 321.465 2.115 50 0 DEAARO COc1ccccc1OC1CN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)C1 ZINC000252481113 202838115 /nfs/dbraw/zinc/83/81/15/202838115.db2.gz CHWALLKGHCZJRZ-LSDHHAIUSA-N 1 0 302.418 2.243 50 0 DEAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000247825841 284192288 /nfs/dbraw/zinc/19/22/88/284192288.db2.gz JFBSTNHOKASZRU-OAGGEKHMSA-N 1 0 316.401 2.092 50 0 DEAARO C[C@@H](CO)N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000095982088 193475390 /nfs/dbraw/zinc/47/53/90/193475390.db2.gz AWXDAMCDCLFBDT-AWEZNQCLSA-N 1 0 311.470 2.053 50 0 DEAARO CC(C)([NH2+]CC(=O)NC(=O)NC1CC1)c1cccc(Cl)c1 ZINC000096491935 193669593 /nfs/dbraw/zinc/66/95/93/193669593.db2.gz MJJHVOUQJHDGTQ-UHFFFAOYSA-N 1 0 309.797 2.153 50 0 DEAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000011852179 181711604 /nfs/dbraw/zinc/71/16/04/181711604.db2.gz BJOXFBGLRLTGIJ-ZIAGYGMSSA-N 1 0 307.390 2.420 50 0 DEAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000012036480 181725169 /nfs/dbraw/zinc/72/51/69/181725169.db2.gz MLRRRZSZJOSCFQ-CQSZACIVSA-N 1 0 307.442 2.053 50 0 DEAARO O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC[NH2+]C1CCCCC1 ZINC000018102390 182093161 /nfs/dbraw/zinc/09/31/61/182093161.db2.gz IERQTSBMCSZRRZ-ZIAGYGMSSA-N 1 0 310.825 2.426 50 0 DEAARO Cc1cc(C)c(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000019566856 182130362 /nfs/dbraw/zinc/13/03/62/182130362.db2.gz KKZQEWGFDVXFFS-MRXNPFEDSA-N 1 0 301.434 2.330 50 0 DEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c(F)c1 ZINC000019773230 182145487 /nfs/dbraw/zinc/14/54/87/182145487.db2.gz NWLRKOPZYMMEON-INIZCTEOSA-N 1 0 324.440 2.359 50 0 DEAARO CCn1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(C)n1 ZINC000019840504 182155757 /nfs/dbraw/zinc/15/57/57/182155757.db2.gz DUIOVZJXLWZXHZ-SFHVURJKSA-N 1 0 320.481 2.023 50 0 DEAARO Cc1ccc(OCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020272602 182202398 /nfs/dbraw/zinc/20/23/98/182202398.db2.gz OCAXLBOBUHFBQY-UHFFFAOYSA-N 1 0 313.239 2.432 50 0 DEAARO Clc1cc(Br)ccc1OCCN1CC[NH2+]CC1 ZINC000020272662 182202698 /nfs/dbraw/zinc/20/26/98/182202698.db2.gz BAGFLEDIBVZZDO-UHFFFAOYSA-N 1 0 319.630 2.387 50 0 DEAARO CCCN1CC[C@@H]([NH+]2CCC(C(=O)OCC)CC2)CCC1=O ZINC000020780021 182246758 /nfs/dbraw/zinc/24/67/58/182246758.db2.gz ZUODOBKHMIOXBA-HNNXBMFYSA-N 1 0 310.438 2.053 50 0 DEAARO CC(=O)N1CCC([N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000020773881 182246926 /nfs/dbraw/zinc/24/69/26/182246926.db2.gz NNXCEOGDTQPBOO-IBGZPJMESA-N 1 0 316.445 2.331 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028794 182689229 /nfs/dbraw/zinc/68/92/29/182689229.db2.gz WUUKWYPMYNMNJR-UHFFFAOYSA-N 1 0 315.373 2.306 50 0 DEAARO COc1ccc(CC(=O)NCCC[NH+]2CCCCC2)c(OC)c1 ZINC000040465435 183071889 /nfs/dbraw/zinc/07/18/89/183071889.db2.gz XFUZHPFKLWLPMO-UHFFFAOYSA-N 1 0 320.433 2.239 50 0 DEAARO Cc1csc(=O)n1CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000040466193 183072572 /nfs/dbraw/zinc/07/25/72/183072572.db2.gz IWSGUUXODQNZNU-UHFFFAOYSA-N 1 0 320.414 2.121 50 0 DEAARO CCc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000040526014 183092283 /nfs/dbraw/zinc/09/22/83/183092283.db2.gz PBRSCPFDAIRGMG-INIZCTEOSA-N 1 0 305.422 2.217 50 0 DEAARO CN(C)c1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccn1 ZINC000040535395 183095054 /nfs/dbraw/zinc/09/50/54/183095054.db2.gz AWWIHKLRJGNZFV-CYBMUJFWSA-N 1 0 318.446 2.242 50 0 DEAARO COc1ccc(-c2nnc(CN3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000040945379 183149674 /nfs/dbraw/zinc/14/96/74/183149674.db2.gz GZEFIMNXOODQSO-UHFFFAOYSA-N 1 0 316.405 2.271 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C1 ZINC000493309245 249274933 /nfs/dbraw/zinc/27/49/33/249274933.db2.gz XJIJSQMKVZVRMB-SKHCZCESSA-N 1 0 324.428 2.344 50 0 DEAARO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2Cl)CCCC1 ZINC000041630800 183212602 /nfs/dbraw/zinc/21/26/02/183212602.db2.gz ODHVYOSAZLIURH-UHFFFAOYSA-N 1 0 316.854 2.493 50 0 DEAARO Ic1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042772993 183306915 /nfs/dbraw/zinc/30/69/15/183306915.db2.gz CMWZJTZJGLOXNZ-VIFPVBQESA-N 1 0 303.143 2.280 50 0 DEAARO O=c1c(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nccn1C1CC1 ZINC000104368855 194003067 /nfs/dbraw/zinc/00/30/67/194003067.db2.gz FJTXFOBWQFJQDS-MRXNPFEDSA-N 1 0 324.428 2.337 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000053202968 183892077 /nfs/dbraw/zinc/89/20/77/183892077.db2.gz MDUTWFJLOAMLPN-LBPRGKRZSA-N 1 0 302.827 2.021 50 0 DEAARO CC[C@@H](Nc1cccc(OC)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000055108429 183965136 /nfs/dbraw/zinc/96/51/36/183965136.db2.gz AHKLFASWKIGHQI-QGZVFWFLSA-N 1 0 319.449 2.488 50 0 DEAARO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccn2C)no1 ZINC000058068072 184072789 /nfs/dbraw/zinc/07/27/89/184072789.db2.gz NQUCHSFJFOKDBE-AWEZNQCLSA-N 1 0 302.378 2.487 50 0 DEAARO COCCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058214697 184089255 /nfs/dbraw/zinc/08/92/55/184089255.db2.gz MBPQOKGELBXDMX-HNNXBMFYSA-N 1 0 320.433 2.172 50 0 DEAARO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058357825 184108957 /nfs/dbraw/zinc/10/89/57/184108957.db2.gz ATYXUILTVHSJCF-NEPJUHHUSA-N 1 0 304.369 2.423 50 0 DEAARO COc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC ZINC000058277965 184098264 /nfs/dbraw/zinc/09/82/64/184098264.db2.gz GJOQVYMYJHBCHI-UHFFFAOYSA-N 1 0 304.390 2.014 50 0 DEAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)Cn1cccn1 ZINC000058283804 184100483 /nfs/dbraw/zinc/10/04/83/184100483.db2.gz MYCCHVXWYDITDJ-UHFFFAOYSA-N 1 0 320.824 2.127 50 0 DEAARO COCc1cccc(C[NH2+]C[C@H]2CNc3cc(C)nn3C2)c1 ZINC000058294416 184101878 /nfs/dbraw/zinc/10/18/78/184101878.db2.gz VZMUBXFNRDNOJW-INIZCTEOSA-N 1 0 300.406 2.169 50 0 DEAARO Cc1nc2ccccc2n1CCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000058315971 184104675 /nfs/dbraw/zinc/10/46/75/184104675.db2.gz VGOLAJUHIJCOMU-HNNXBMFYSA-N 1 0 324.432 2.263 50 0 DEAARO O=C(COc1ccccc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058323513 184105351 /nfs/dbraw/zinc/10/53/51/184105351.db2.gz GEFOZHXOCPBQDL-CQSZACIVSA-N 1 0 306.381 2.291 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)COc1ccccc1F ZINC000058416390 184115211 /nfs/dbraw/zinc/11/52/11/184115211.db2.gz HNRKEHVJUKFVEI-GFCCVEGCSA-N 1 0 320.412 2.491 50 0 DEAARO Cc1ccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000059386603 184137798 /nfs/dbraw/zinc/13/77/98/184137798.db2.gz ADFCPVAAJCASAK-ROUUACIJSA-N 1 0 318.461 2.295 50 0 DEAARO COc1ccc2cc(C(=O)N3CCC[N@@H+](C4CC4)CC3)[nH]c2c1 ZINC000061604649 184177278 /nfs/dbraw/zinc/17/72/78/184177278.db2.gz SPRXRULFHQOKRW-UHFFFAOYSA-N 1 0 313.401 2.487 50 0 DEAARO Cn1cc(CC(=O)NCCC[NH+]2CCCCC2)c2cccnc21 ZINC000065156011 184312743 /nfs/dbraw/zinc/31/27/43/184312743.db2.gz MLMPNEGTLHBPFQ-UHFFFAOYSA-N 1 0 314.433 2.108 50 0 DEAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000065423607 184342086 /nfs/dbraw/zinc/34/20/86/184342086.db2.gz JVJJHFUICCGZLO-UHFFFAOYSA-N 1 0 312.417 2.396 50 0 DEAARO CCn1cnnc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065454453 184347546 /nfs/dbraw/zinc/34/75/46/184347546.db2.gz AOJDHWKOPMSXTJ-UHFFFAOYSA-N 1 0 313.449 2.394 50 0 DEAARO C[N@@H+]1CCc2ncnc(Oc3cccc(-c4nnco4)c3)c2C1 ZINC000065478828 184352757 /nfs/dbraw/zinc/35/27/57/184352757.db2.gz OXAFPNBOEPPUQH-UHFFFAOYSA-N 1 0 309.329 2.307 50 0 DEAARO CC(C)c1c(-c2ccccc2)ncn1CC(=O)N1CC[NH2+]CC1 ZINC000065530247 184360858 /nfs/dbraw/zinc/36/08/58/184360858.db2.gz QIRWAHQRNKLOGC-UHFFFAOYSA-N 1 0 312.417 2.105 50 0 DEAARO CC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065576280 184368260 /nfs/dbraw/zinc/36/82/60/184368260.db2.gz YKUNRULPVVNDEH-HIFRSBDPSA-N 1 0 317.433 2.369 50 0 DEAARO O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)N1c1ccccc1 ZINC000001612030 285008216 /nfs/dbraw/zinc/00/82/16/285008216.db2.gz USWUQRVKTQVBJU-IRXDYDNUSA-N 1 0 306.365 2.308 50 0 DEAARO O=C([C@@H]1CCC[NH2+]C1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000159289036 197343134 /nfs/dbraw/zinc/34/31/34/197343134.db2.gz BTGSHDMQSPXSAU-WBVHZDCISA-N 1 0 320.408 2.097 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2cc(Br)cs2)C1 ZINC000157792108 197216163 /nfs/dbraw/zinc/21/61/63/197216163.db2.gz GJUPVMSEFHCOKT-FSIBCCDJSA-N 1 0 315.236 2.474 50 0 DEAARO CCN1CC2(CC[NH+](CCO)CC2)C[C@H](c2ccccc2)C1=O ZINC000095369606 285183838 /nfs/dbraw/zinc/18/38/38/285183838.db2.gz VYRVKKFYCDFIQR-QGZVFWFLSA-N 1 0 316.445 2.097 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000156387072 197109104 /nfs/dbraw/zinc/10/91/04/197109104.db2.gz QLXUWXOGEYPEJZ-GDBMZVCRSA-N 1 0 312.417 2.001 50 0 DEAARO CC(=O)Nc1sc2c(c1CN1CC[NH+](C)CC1)CCCC2 ZINC000020218699 257268989 /nfs/dbraw/zinc/26/89/89/257268989.db2.gz GLTLJCTYZPHAOU-UHFFFAOYSA-N 1 0 307.463 2.333 50 0 DEAARO c1ccc2nc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)cnc2c1 ZINC000071902783 184896793 /nfs/dbraw/zinc/89/67/93/184896793.db2.gz FKMALCLXJRGENJ-HNNXBMFYSA-N 1 0 312.417 2.178 50 0 DEAARO COc1ccc2cc(CN3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253531382 533327560 /nfs/dbraw/zinc/32/75/60/533327560.db2.gz DEOIBNPFKFDMEN-HNNXBMFYSA-N 1 0 313.401 2.229 50 0 DEAARO O=S(=O)(c1cccnc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077489380 296472575 /nfs/dbraw/zinc/47/25/75/296472575.db2.gz DRCFIGIPSNFUCW-OAHLLOKOSA-N 1 0 323.462 2.111 50 0 DEAARO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003084869 401721578 /nfs/dbraw/zinc/72/15/78/401721578.db2.gz AYAGJQPDCPRMNG-UHFFFAOYSA-N 1 0 317.433 2.359 50 0 DEAARO COc1cccc(SCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000073990140 401727000 /nfs/dbraw/zinc/72/70/00/401727000.db2.gz PZSKBZSQZDGVCE-UONOGXRCSA-N 1 0 320.458 2.482 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000007063715 401736636 /nfs/dbraw/zinc/73/66/36/401736636.db2.gz DZEIYOXEWBWDRQ-IRXDYDNUSA-N 1 0 321.461 2.489 50 0 DEAARO C[NH+](C)CCCn1c2ccccc2n(C[C@H](O)C(C)(C)C)c1=N ZINC000000092844 401687978 /nfs/dbraw/zinc/68/79/78/401687978.db2.gz WUGGNBAFEIWDAD-INIZCTEOSA-N 1 0 318.465 2.281 50 0 DEAARO CCOCC[N@@H+]1CCN(Cc2nnsc2Cl)C[C@H]1CC ZINC000071864822 401688804 /nfs/dbraw/zinc/68/88/04/401688804.db2.gz RFTCGOZDKMKOBZ-LLVKDONJSA-N 1 0 318.874 2.124 50 0 DEAARO CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000000213857 401690592 /nfs/dbraw/zinc/69/05/92/401690592.db2.gz XELZWGWLPKUYKF-UHFFFAOYSA-N 1 0 321.852 2.473 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000071877325 401691024 /nfs/dbraw/zinc/69/10/24/401691024.db2.gz YMWISDBCMYBKLQ-AWEZNQCLSA-N 1 0 310.401 2.215 50 0 DEAARO C[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071877368 401691037 /nfs/dbraw/zinc/69/10/37/401691037.db2.gz PSSWMKURLFXHGV-CYBMUJFWSA-N 1 0 319.836 2.387 50 0 DEAARO C[C@@H](O)C[NH+](Cc1ccccc1Br)C[C@@H](C)O ZINC000000216333 401691126 /nfs/dbraw/zinc/69/11/26/401691126.db2.gz YYWCQYGMXQINLO-GHMZBOCLSA-N 1 0 302.212 2.013 50 0 DEAARO CCC[NH+]1CCC(NC(=O)NCc2ccnc(OCC)c2)CC1 ZINC000071885920 401692219 /nfs/dbraw/zinc/69/22/19/401692219.db2.gz OYIMJPIHSQSTHH-UHFFFAOYSA-N 1 0 320.437 2.154 50 0 DEAARO COc1ccccc1C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000071888664 401692658 /nfs/dbraw/zinc/69/26/58/401692658.db2.gz ZDFNFJMGKFPHAA-CQSZACIVSA-N 1 0 312.417 2.255 50 0 DEAARO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000071922380 401697945 /nfs/dbraw/zinc/69/79/45/401697945.db2.gz MJTOQOKVUNZWFM-IUCAKERBSA-N 1 0 314.315 2.038 50 0 DEAARO C[NH+](C)C[C@]1(O)CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000072169638 401703295 /nfs/dbraw/zinc/70/32/95/401703295.db2.gz VUOCKTTWNSKZLP-AWEZNQCLSA-N 1 0 317.355 2.383 50 0 DEAARO Cc1ccc([C@H](NC(=O)C[NH2+]CCn2cccn2)C2CC2)cc1 ZINC000072267778 401704789 /nfs/dbraw/zinc/70/47/89/401704789.db2.gz ZBECTCCWDOWPKT-SFHVURJKSA-N 1 0 312.417 2.049 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)N1CCC1 ZINC000072271364 401705729 /nfs/dbraw/zinc/70/57/29/401705729.db2.gz SSZZIKKGFWONLP-UHFFFAOYSA-N 1 0 305.397 2.453 50 0 DEAARO Cc1cc(C)n(CCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000072312288 401708853 /nfs/dbraw/zinc/70/88/53/401708853.db2.gz PSGTWJBHEIKBJW-CYBMUJFWSA-N 1 0 304.360 2.116 50 0 DEAARO COc1cccc([C@@H](C)n2ccnc2-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000072407750 401709733 /nfs/dbraw/zinc/70/97/33/401709733.db2.gz FZQWPIHDZNAAES-CYBMUJFWSA-N 1 0 323.400 2.468 50 0 DEAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)CC(C)C)[nH+]1 ZINC000072436835 401710206 /nfs/dbraw/zinc/71/02/06/401710206.db2.gz SJKCKQJJNDWLAH-UHFFFAOYSA-N 1 0 319.453 2.350 50 0 DEAARO Cc1cc(OC[C@H](O)C[NH2+]C[C@H](C)O)c(C(C)C)cc1Cl ZINC000002624425 401716101 /nfs/dbraw/zinc/71/61/01/401716101.db2.gz MJTYNDUNVLZFHV-QWHCGFSZSA-N 1 0 315.841 2.482 50 0 DEAARO Cc1cc(N)nc(N2CCN(c3ccccc3Cl)CC2)[nH+]1 ZINC000075172833 401754139 /nfs/dbraw/zinc/75/41/39/401754139.db2.gz BGDGTZUODYHRIZ-UHFFFAOYSA-N 1 0 303.797 2.347 50 0 DEAARO Cc1ccc(Nc2nc(NCC[NH+](C)C)nc3nccnc32)cc1 ZINC000009074197 401759205 /nfs/dbraw/zinc/75/92/05/401759205.db2.gz FIUJEERUKFXDNP-UHFFFAOYSA-N 1 0 323.404 2.445 50 0 DEAARO COC(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000009156009 401759791 /nfs/dbraw/zinc/75/97/91/401759791.db2.gz SLSLNVCGDASUMM-UHFFFAOYSA-N 1 0 318.417 2.468 50 0 DEAARO COC[C@H](O)C[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863411 401771757 /nfs/dbraw/zinc/77/17/57/401771757.db2.gz MMAYZFQMOKUUGN-CZUORRHYSA-N 1 0 312.841 2.026 50 0 DEAARO CCNC(=O)c1sc2ncnc(NCCC[NH+](C)C)c2c1C ZINC000012165198 401781254 /nfs/dbraw/zinc/78/12/54/401781254.db2.gz AYNCOSTYLMFWRU-UHFFFAOYSA-N 1 0 321.450 2.113 50 0 DEAARO OCC[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421949 401785597 /nfs/dbraw/zinc/78/55/97/401785597.db2.gz YQRCRBYMNWFGDC-LBPRGKRZSA-N 1 0 322.836 2.116 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@@H](c1cccs1)[NH+](C)C ZINC000012485807 401786870 /nfs/dbraw/zinc/78/68/70/401786870.db2.gz POUCQNWIHITFRG-NSHDSACASA-N 1 0 302.407 2.140 50 0 DEAARO CC(C)(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012708859 401790061 /nfs/dbraw/zinc/79/00/61/401790061.db2.gz NGBBQXQKOYLWAB-GOSISDBHSA-N 1 0 322.424 2.315 50 0 DEAARO O=C1CC2(CN1)CC[NH+](Cc1ccc3c(c1)OC(F)(F)O3)CC2 ZINC000077487106 401817205 /nfs/dbraw/zinc/81/72/05/401817205.db2.gz DVNSBEFCBJDEPP-UHFFFAOYSA-N 1 0 324.327 2.110 50 0 DEAARO CCC[NH+]1CCN(C(=O)CN2CCSc3ccccc32)CC1 ZINC000015785854 401818190 /nfs/dbraw/zinc/81/81/90/401818190.db2.gz SAXDJKOGBRAQJE-UHFFFAOYSA-N 1 0 319.474 2.153 50 0 DEAARO O=C(COc1ccc(F)cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000024747670 401830202 /nfs/dbraw/zinc/83/02/02/401830202.db2.gz XSTATKOXURVMMN-UHFFFAOYSA-N 1 0 310.344 2.087 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(Br)cn2)C1 ZINC000078563068 401856060 /nfs/dbraw/zinc/85/60/60/401856060.db2.gz AUFXYIPFGIUVNB-NSHDSACASA-N 1 0 313.243 2.407 50 0 DEAARO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000029483068 401857032 /nfs/dbraw/zinc/85/70/32/401857032.db2.gz PJZSMBGVDGGVDB-QGZVFWFLSA-N 1 0 323.396 2.343 50 0 DEAARO CC[NH+]1CCN(CC(=O)N[C@H](c2cccs2)C(C)C)CC1 ZINC000029596874 401857382 /nfs/dbraw/zinc/85/73/82/401857382.db2.gz ZZQUZIOUHQNTNY-INIZCTEOSA-N 1 0 309.479 2.199 50 0 DEAARO Nc1nc(Cl)cc(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000029619808 401857585 /nfs/dbraw/zinc/85/75/85/401857585.db2.gz PBPHGRKQWUAFFP-UHFFFAOYSA-N 1 0 323.853 2.486 50 0 DEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029833248 401859253 /nfs/dbraw/zinc/85/92/53/401859253.db2.gz NJKUSEQWILFZOY-CYBMUJFWSA-N 1 0 301.390 2.486 50 0 DEAARO O=C(Cc1cccs1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363459 401862791 /nfs/dbraw/zinc/86/27/91/401862791.db2.gz SGOMOHNKKZGTCE-UHFFFAOYSA-N 1 0 300.427 2.465 50 0 DEAARO Cc1ccsc1CN(Cc1ccccn1)C[C@@]1(O)CC[NH2+]C1 ZINC000077386983 401813501 /nfs/dbraw/zinc/81/35/01/401813501.db2.gz AQPUYEIWSZHQRB-QGZVFWFLSA-N 1 0 317.458 2.178 50 0 DEAARO O=C(CCN1CCCO1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015067498 401815855 /nfs/dbraw/zinc/81/58/55/401815855.db2.gz KGKCHFFIDWJLCX-MRXNPFEDSA-N 1 0 323.481 2.317 50 0 DEAARO O=C(CCN1CCCO1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015067500 401815961 /nfs/dbraw/zinc/81/59/61/401815961.db2.gz KGKCHFFIDWJLCX-INIZCTEOSA-N 1 0 323.481 2.317 50 0 DEAARO CC[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000043143502 401937386 /nfs/dbraw/zinc/93/73/86/401937386.db2.gz VVZIKUFPJWVPES-STQMWFEESA-N 1 0 311.451 2.171 50 0 DEAARO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2CCCO2)CC1 ZINC000042387794 401933168 /nfs/dbraw/zinc/93/31/68/401933168.db2.gz PHBSVCFDVQHZOZ-OAHLLOKOSA-N 1 0 317.433 2.336 50 0 DEAARO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2CCCO2)CC1 ZINC000042387790 401933478 /nfs/dbraw/zinc/93/34/78/401933478.db2.gz PHBSVCFDVQHZOZ-HNNXBMFYSA-N 1 0 317.433 2.336 50 0 DEAARO C[NH+](C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 ZINC000031931279 401875098 /nfs/dbraw/zinc/87/50/98/401875098.db2.gz HQNCTZOJPAVGJJ-CYBMUJFWSA-N 1 0 315.398 2.054 50 0 DEAARO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000089091776 401934744 /nfs/dbraw/zinc/93/47/44/401934744.db2.gz RNISNQVUYMSVOP-KCJUWKMLSA-N 1 0 323.245 2.399 50 0 DEAARO COC(=O)[C@H](C[N@H+](C)Cc1ccccc1)[C@H](O)c1ccncc1 ZINC000034858393 401893998 /nfs/dbraw/zinc/89/39/98/401893998.db2.gz KDXCSSVSRPXSBC-IAGOWNOFSA-N 1 0 314.385 2.036 50 0 DEAARO COCC[C@H](C)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082108945 401899957 /nfs/dbraw/zinc/89/99/57/401899957.db2.gz ACOOYEPCLITZAD-ZDUSSCGKSA-N 1 0 303.406 2.310 50 0 DEAARO CCC[C@H](O)C[N@H+](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000036095684 401902047 /nfs/dbraw/zinc/90/20/47/401902047.db2.gz ZNFCHFGTGJIRBB-HNNXBMFYSA-N 1 0 311.422 2.313 50 0 DEAARO CC(C)C[N@@H+]1CC[C@H](CNc2ccccc2S(C)(=O)=O)C1 ZINC000084544253 401906850 /nfs/dbraw/zinc/90/68/50/401906850.db2.gz XMBQJGJVCLCQBF-CQSZACIVSA-N 1 0 310.463 2.480 50 0 DEAARO CN(C(=O)Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000084748008 401909467 /nfs/dbraw/zinc/90/94/67/401909467.db2.gz NIWZDKBGOVORDB-UHFFFAOYSA-N 1 0 311.223 2.202 50 0 DEAARO c1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c2c(c1)OCCCO2 ZINC000089774309 401962135 /nfs/dbraw/zinc/96/21/35/401962135.db2.gz RVJWLMVJQVMWEE-AWEZNQCLSA-N 1 0 302.418 2.422 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1(O)CCC1 ZINC000089799947 401964800 /nfs/dbraw/zinc/96/48/00/401964800.db2.gz DQUWZIOGBWOURE-ZDUSSCGKSA-N 1 0 323.462 2.099 50 0 DEAARO c1cc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)co1 ZINC000089884968 401970386 /nfs/dbraw/zinc/97/03/86/401970386.db2.gz VMZWWCZNSVNVOB-UHFFFAOYSA-N 1 0 311.345 2.047 50 0 DEAARO CC(=O)N1CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000089937408 401975250 /nfs/dbraw/zinc/97/52/50/401975250.db2.gz YYOXAHWGSFWBPW-SUMWQHHRSA-N 1 0 300.402 2.309 50 0 DEAARO Cc1cc(C)nc(SCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000047146821 401979314 /nfs/dbraw/zinc/97/93/14/401979314.db2.gz BBYCEYCXGGBZQK-GFCCVEGCSA-N 1 0 322.478 2.034 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCOC1 ZINC000047778206 401988854 /nfs/dbraw/zinc/98/88/54/401988854.db2.gz WUYIBTRQFNOTJA-HUUCEWRRSA-N 1 0 321.421 2.142 50 0 DEAARO COC(=O)c1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000048004890 401992009 /nfs/dbraw/zinc/99/20/09/401992009.db2.gz HIGUGIZYQNWMPN-UHFFFAOYSA-N 1 0 319.405 2.327 50 0 DEAARO CC(C)CCCC(=O)N1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000048135077 401994410 /nfs/dbraw/zinc/99/44/10/401994410.db2.gz XCNCHAHOYGNJBK-UHFFFAOYSA-N 1 0 321.469 2.462 50 0 DEAARO CCC[C@H](C)C[NH+]1CCC(Cn2cc(CCCO)nn2)CC1 ZINC000048121676 401994523 /nfs/dbraw/zinc/99/45/23/401994523.db2.gz ZYXBHQSRPNUSQG-HNNXBMFYSA-N 1 0 308.470 2.351 50 0 DEAARO Fc1cc2nc(-c3cn(C4CC[NH2+]CC4)nn3)[nH]c2cc1F ZINC000091425003 401996166 /nfs/dbraw/zinc/99/61/66/401996166.db2.gz MAYWWJOEAIDREM-UHFFFAOYSA-N 1 0 304.304 2.024 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)ccc1F ZINC000048285295 401997139 /nfs/dbraw/zinc/99/71/39/401997139.db2.gz FQWFUQHOWJBCBE-UHFFFAOYSA-N 1 0 314.788 2.321 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000050228198 402026788 /nfs/dbraw/zinc/02/67/88/402026788.db2.gz DMYPHXKJESCGPS-VIFPVBQESA-N 1 0 309.163 2.369 50 0 DEAARO Cc1n[nH]c(C)c1CNC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095372397 402029230 /nfs/dbraw/zinc/02/92/30/402029230.db2.gz TUKDQGUTWUJSSY-INIZCTEOSA-N 1 0 312.417 2.424 50 0 DEAARO Cc1nnc(SCCCn2cc([C@@H]3CCC[NH2+]C3)nn2)s1 ZINC000095380233 402030464 /nfs/dbraw/zinc/03/04/64/402030464.db2.gz FXTFPRKEVADKBA-LLVKDONJSA-N 1 0 324.479 2.087 50 0 DEAARO COCC[NH+]1CCN(C[C@H](O)c2ccc(CC(C)C)cc2)CC1 ZINC000051281755 402033301 /nfs/dbraw/zinc/03/33/01/402033301.db2.gz MZBBSWJNVZGKRH-IBGZPJMESA-N 1 0 320.477 2.183 50 0 DEAARO CS[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1[NH+](C)C ZINC000095444665 402033445 /nfs/dbraw/zinc/03/34/45/402033445.db2.gz FUSQRXDOIVTXDV-CVEARBPZSA-N 1 0 317.458 2.145 50 0 DEAARO NC(=O)CN1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000095949738 402036273 /nfs/dbraw/zinc/03/62/73/402036273.db2.gz ISBGQNRAAYFGIR-UHFFFAOYSA-N 1 0 321.424 2.296 50 0 DEAARO COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CCSC2)C1=O ZINC000095968168 402038447 /nfs/dbraw/zinc/03/84/47/402038447.db2.gz QWZJWVIAXGSTMV-STQMWFEESA-N 1 0 306.431 2.286 50 0 DEAARO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095972583 402038986 /nfs/dbraw/zinc/03/89/86/402038986.db2.gz YMNLRNQWNQUFLL-MRXNPFEDSA-N 1 0 316.426 2.336 50 0 DEAARO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1C[C@H](C)OC1=O ZINC000095978742 402040761 /nfs/dbraw/zinc/04/07/61/402040761.db2.gz ZLKIQEMXZLIVSS-HOCLYGCPSA-N 1 0 317.433 2.324 50 0 DEAARO O=C(C1CC[NH+](Cc2ccc(CO)o2)CC1)N1CCCCCC1 ZINC000095982352 402042025 /nfs/dbraw/zinc/04/20/25/402042025.db2.gz 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402077437 /nfs/dbraw/zinc/07/74/37/402077437.db2.gz PGEIZJSFZFELLW-JKSUJKDBSA-N 1 0 302.418 2.377 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122431498 402077813 /nfs/dbraw/zinc/07/78/13/402077813.db2.gz KMUFZLLOTBWHMS-SECBINFHSA-N 1 0 315.186 2.270 50 0 DEAARO CCc1cccc(NC(=O)CCC(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000055199962 402077949 /nfs/dbraw/zinc/07/79/49/402077949.db2.gz GEOKNDRAVAYEQV-CYBMUJFWSA-N 1 0 305.422 2.034 50 0 DEAARO CC/C(=C\C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(C)cc1 ZINC000096423699 402082910 /nfs/dbraw/zinc/08/29/10/402082910.db2.gz QTEXULQPKWLZIW-FXFXYLOPSA-N 1 0 315.461 2.150 50 0 DEAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1cc(F)cc(F)c1Cl ZINC000097259336 402120686 /nfs/dbraw/zinc/12/06/86/402120686.db2.gz PJHLDWYBNSXZRM-YUMQZZPRSA-N 1 0 307.703 2.440 50 0 DEAARO COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000096431676 402085889 /nfs/dbraw/zinc/08/58/89/402085889.db2.gz ATXSSBKBXZEFBX-KGLIPLIRSA-N 1 0 306.406 2.063 50 0 DEAARO O=C(NCCc1cc(F)ccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096447367 402089132 /nfs/dbraw/zinc/08/91/32/402089132.db2.gz GZFICNMRJVMOAY-HNNXBMFYSA-N 1 0 323.387 2.387 50 0 DEAARO CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000096450366 402089716 /nfs/dbraw/zinc/08/97/16/402089716.db2.gz NLFRIQFHVKXUMC-HOCLYGCPSA-N 1 0 310.463 2.336 50 0 DEAARO CSC[C@H](C)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000096449721 402090044 /nfs/dbraw/zinc/09/00/44/402090044.db2.gz XLYHFZXKTCHTCU-KBPBESRZSA-N 1 0 314.495 2.135 50 0 DEAARO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000096476616 402093389 /nfs/dbraw/zinc/09/33/89/402093389.db2.gz ZDRDLMAXTREZDW-CYBMUJFWSA-N 1 0 309.841 2.155 50 0 DEAARO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1noc(-c2ccccc2)n1 ZINC000096487166 402095244 /nfs/dbraw/zinc/09/52/44/402095244.db2.gz WZPOMZFSPBWULQ-GFCCVEGCSA-N 1 0 314.389 2.398 50 0 DEAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@H]1CCCO1 ZINC000058264242 402099302 /nfs/dbraw/zinc/09/93/02/402099302.db2.gz UUTDKWUYHTTZIP-CQSZACIVSA-N 1 0 315.373 2.464 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)o1 ZINC000097096740 402106660 /nfs/dbraw/zinc/10/66/60/402106660.db2.gz QNYOISGPQFJVAS-HUUCEWRRSA-N 1 0 318.348 2.132 50 0 DEAARO Cn1cc(C[NH2+]C2CCN(C3CC3)CC2)c(-c2ccncc2)n1 ZINC000097159722 402112919 /nfs/dbraw/zinc/11/29/19/402112919.db2.gz OZZYDMIJCVAGBX-UHFFFAOYSA-N 1 0 311.433 2.199 50 0 DEAARO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)cn1 ZINC000097159875 402112960 /nfs/dbraw/zinc/11/29/60/402112960.db2.gz NJNBXJFPDOQFFK-UHFFFAOYSA-N 1 0 322.416 2.233 50 0 DEAARO Cc1cccc2nc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cn21 ZINC000063694784 402114707 /nfs/dbraw/zinc/11/47/07/402114707.db2.gz DMEPEZPTPYJXBH-OAHLLOKOSA-N 1 0 314.433 2.493 50 0 DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000097199378 402115047 /nfs/dbraw/zinc/11/50/47/402115047.db2.gz YEUCZCZXVDHRIB-LLVKDONJSA-N 1 0 315.402 2.408 50 0 DEAARO Cn1cc(SCC(=O)N2CCC[N@H+](C)CC2)c2ccccc21 ZINC000097402439 402124493 /nfs/dbraw/zinc/12/44/93/402124493.db2.gz KJVNIPYVOPBRHV-UHFFFAOYSA-N 1 0 317.458 2.435 50 0 DEAARO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C1CCN(Cc2ccccc2)CC1 ZINC000065462183 402125629 /nfs/dbraw/zinc/12/56/29/402125629.db2.gz PCNPNHOEZRUEQJ-MSOLQXFVSA-N 1 0 313.445 2.004 50 0 DEAARO CCOc1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000097636516 402129393 /nfs/dbraw/zinc/12/93/93/402129393.db2.gz RTQVMQUNOYPDGX-OAHLLOKOSA-N 1 0 323.868 2.218 50 0 DEAARO c1c(CC[NH2+]Cc2ccc3c(c2)OCCO3)nc2n1CCCC2 ZINC000097731778 402131544 /nfs/dbraw/zinc/13/15/44/402131544.db2.gz KKVYFKNNFQYWDT-UHFFFAOYSA-N 1 0 313.401 2.323 50 0 DEAARO COc1ccc(CC[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000066561722 402135812 /nfs/dbraw/zinc/13/58/12/402135812.db2.gz QDUXBZGDRKZUFN-MRXNPFEDSA-N 1 0 318.461 2.423 50 0 DEAARO C[C@H]1CN(C(=O)c2csc(-c3ccccn3)n2)C[C@H](C)[NH2+]1 ZINC000153433183 402145017 /nfs/dbraw/zinc/14/50/17/402145017.db2.gz ZOSZSWMZYOBDKI-QWRGUYRKSA-N 1 0 302.403 2.028 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000123871679 402151444 /nfs/dbraw/zinc/15/14/44/402151444.db2.gz OXEWXCNLKYHIHX-SNVBAGLBSA-N 1 0 320.817 2.099 50 0 DEAARO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC(=O)NC[C@@H]2C)c1 ZINC000067934909 402179066 /nfs/dbraw/zinc/17/90/66/402179066.db2.gz SRWZTUKYKALEFS-HNNXBMFYSA-N 1 0 312.417 2.200 50 0 DEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2noc3ccccc23)C1 ZINC000067934597 402179112 /nfs/dbraw/zinc/17/91/12/402179112.db2.gz PAISRCSSQXVZKQ-CQSZACIVSA-N 1 0 315.417 2.464 50 0 DEAARO CCC[N@H+](CCO)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000068046021 402182774 /nfs/dbraw/zinc/18/27/74/402182774.db2.gz LINPGTIMZINRHF-BBRMVZONSA-N 1 0 315.841 2.483 50 0 DEAARO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCC2)[nH]c2c1C(=O)CCC2 ZINC000068103286 402184118 /nfs/dbraw/zinc/18/41/18/402184118.db2.gz HYHZGIKTYFSFAI-LBPRGKRZSA-N 1 0 317.433 2.304 50 0 DEAARO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103358354 402185729 /nfs/dbraw/zinc/18/57/29/402185729.db2.gz YPLQOZKVKJJGQP-FRRDWIJNSA-N 1 0 303.406 2.090 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000124648849 402189945 /nfs/dbraw/zinc/18/99/45/402189945.db2.gz YWGOODBKCWBONU-LLVKDONJSA-N 1 0 300.324 2.458 50 0 DEAARO COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCC3)cc1OC ZINC000103722289 402193395 /nfs/dbraw/zinc/19/33/95/402193395.db2.gz JFGSSQZOOJKNQI-UHFFFAOYSA-N 1 0 303.338 2.121 50 0 DEAARO CNC(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000067459615 402160061 /nfs/dbraw/zinc/16/00/61/402160061.db2.gz QDGVLDXLESFEMD-UHFFFAOYSA-N 1 0 301.390 2.102 50 0 DEAARO Cc1cnc(C(=O)NCC[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000067489771 402160919 /nfs/dbraw/zinc/16/09/19/402160919.db2.gz ZJCNADNHXRFVCJ-HNNXBMFYSA-N 1 0 304.438 2.273 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCCn1nc(C)nc1C)CC2 ZINC000067692864 402167926 /nfs/dbraw/zinc/16/79/26/402167926.db2.gz OLMBDRFPXSTCLC-KRWDZBQOSA-N 1 0 314.433 2.441 50 0 DEAARO CCn1ncnc1[C@H](C)Nc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067739879 402170701 /nfs/dbraw/zinc/17/07/01/402170701.db2.gz ARFCOUJCLPNSIT-NSHDSACASA-N 1 0 315.425 2.037 50 0 DEAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000067784064 402172354 /nfs/dbraw/zinc/17/23/54/402172354.db2.gz ROEQVTXYCBSCSH-GOSISDBHSA-N 1 0 316.445 2.409 50 0 DEAARO Cc1ccc(-n2nnnc2NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000068658608 402202976 /nfs/dbraw/zinc/20/29/76/402202976.db2.gz DCSFFXQJAXSIAW-AWEZNQCLSA-N 1 0 312.377 2.279 50 0 DEAARO COc1ccccc1Oc1ncccc1CNC(=O)C[C@H](C)[NH3+] ZINC000067871513 402176848 /nfs/dbraw/zinc/17/68/48/402176848.db2.gz XAXOJBKVGDRTBL-LBPRGKRZSA-N 1 0 315.373 2.236 50 0 DEAARO O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067872434 402177022 /nfs/dbraw/zinc/17/70/22/402177022.db2.gz RMPAHCRBLBRTNI-MRXNPFEDSA-N 1 0 308.809 2.190 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c3cccnc23)C[C@@H]1C ZINC000106840942 402217322 /nfs/dbraw/zinc/21/73/22/402217322.db2.gz BZKVNKBTUICIPW-KBPBESRZSA-N 1 0 317.408 2.261 50 0 DEAARO COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000106852922 402218028 /nfs/dbraw/zinc/21/80/28/402218028.db2.gz IAHOUNPJRDBEIH-MSOLQXFVSA-N 1 0 301.386 2.394 50 0 DEAARO CN1CCO[C@@H](C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000069349465 402218925 /nfs/dbraw/zinc/21/89/25/402218925.db2.gz MSZPNONKZSUUMN-HNNXBMFYSA-N 1 0 308.809 2.036 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000069434625 402223823 /nfs/dbraw/zinc/22/38/23/402223823.db2.gz OOMALDWFQAHTGC-CABCVRRESA-N 1 0 304.438 2.256 50 0 DEAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1Cl ZINC000069483957 402225722 /nfs/dbraw/zinc/22/57/22/402225722.db2.gz LXABTXWPPSPVAE-CQSZACIVSA-N 1 0 310.825 2.110 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069489508 402226571 /nfs/dbraw/zinc/22/65/71/402226571.db2.gz MFTYBCHTLZRWKO-KGLIPLIRSA-N 1 0 321.446 2.334 50 0 DEAARO C[C@@H](C(=O)NC1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069520276 402228757 /nfs/dbraw/zinc/22/87/57/402228757.db2.gz GFSQRHSKCKORIG-JKSUJKDBSA-N 1 0 307.482 2.242 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1nc(C)no1 ZINC000069528718 402229004 /nfs/dbraw/zinc/22/90/04/402229004.db2.gz IDBSUNFKKJUXIC-GJZGRUSLSA-N 1 0 320.437 2.176 50 0 DEAARO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000069530590 402229445 /nfs/dbraw/zinc/22/94/45/402229445.db2.gz NEUCTXQGLSEBNE-LSDHHAIUSA-N 1 0 323.481 2.062 50 0 DEAARO COc1cccc2c1OCC(C(=O)N(C)C1CC[NH+](C)CC1)=C2 ZINC000069538886 402230605 /nfs/dbraw/zinc/23/06/05/402230605.db2.gz YZTGHIWYFJHNMD-UHFFFAOYSA-N 1 0 316.401 2.024 50 0 DEAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069536514 402230650 /nfs/dbraw/zinc/23/06/50/402230650.db2.gz DFCQSUGNJLRBPV-IAGOWNOFSA-N 1 0 318.465 2.055 50 0 DEAARO Cc1nccn1CCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069588147 402233384 /nfs/dbraw/zinc/23/33/84/402233384.db2.gz STKVVYVDLBERSM-JKSUJKDBSA-N 1 0 304.438 2.057 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccccc1OC(F)(F)F ZINC000125461520 402233839 /nfs/dbraw/zinc/23/38/39/402233839.db2.gz UWRMZYBTBFIPLX-NSHDSACASA-N 1 0 316.323 2.338 50 0 DEAARO CCc1nc(CCNC(=O)N[C@H]2CCC[N@@H+](CC)C2)cs1 ZINC000069619972 402234362 /nfs/dbraw/zinc/23/43/62/402234362.db2.gz FIZCMKSYMYFJDI-LBPRGKRZSA-N 1 0 310.467 2.032 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000069654177 402236651 /nfs/dbraw/zinc/23/66/51/402236651.db2.gz JPKKWEJDKKBFSE-WMLDXEAASA-N 1 0 312.417 2.190 50 0 DEAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1nc3ccccc3o1)CC2 ZINC000069665014 402237973 /nfs/dbraw/zinc/23/79/73/402237973.db2.gz ZFPFBIRDFLXTSJ-LBPRGKRZSA-N 1 0 311.389 2.334 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)NCCc2cccs2)c1 ZINC000069709393 402240307 /nfs/dbraw/zinc/24/03/07/402240307.db2.gz WWGZJFCYYBRJOM-ZIAGYGMSSA-N 1 0 320.462 2.151 50 0 DEAARO O=C(CC[N@@H+]1CCC[C@@H]1Cn1cccn1)N1CCc2ccccc21 ZINC000069741349 402241858 /nfs/dbraw/zinc/24/18/58/402241858.db2.gz QLTBFMOKAFWIIW-QGZVFWFLSA-N 1 0 324.428 2.327 50 0 DEAARO COCC[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000069814267 402245507 /nfs/dbraw/zinc/24/55/07/402245507.db2.gz LYUNEOFESNQRNT-LBPRGKRZSA-N 1 0 307.312 2.023 50 0 DEAARO C[NH+](C)C[C@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000069818889 402245738 /nfs/dbraw/zinc/24/57/38/402245738.db2.gz MEWRWFXYTALVDD-NSHDSACASA-N 1 0 319.268 2.273 50 0 DEAARO CC[C@@H]1CN(CCOc2ccccc2C)CC[N@@H+]1CCOC ZINC000069840570 402246670 /nfs/dbraw/zinc/24/66/70/402246670.db2.gz LNLTWELBFGTIHQ-QGZVFWFLSA-N 1 0 306.450 2.416 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000069894868 402249687 /nfs/dbraw/zinc/24/96/87/402249687.db2.gz MZYBLAZOSNDODG-NWDGAFQWSA-N 1 0 321.812 2.418 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccnn1 ZINC000108474585 402254257 /nfs/dbraw/zinc/25/42/57/402254257.db2.gz AAVFIPDGAMCEIS-DZGCQCFKSA-N 1 0 311.389 2.119 50 0 DEAARO C[C@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000070076462 402256698 /nfs/dbraw/zinc/25/66/98/402256698.db2.gz GCTONJNMRQSOTI-QWRGUYRKSA-N 1 0 311.223 2.200 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000070173599 402258247 /nfs/dbraw/zinc/25/82/47/402258247.db2.gz JVFINNUPDNOYRK-QWRGUYRKSA-N 1 0 302.827 2.088 50 0 DEAARO Cc1cnc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000225744785 402323000 /nfs/dbraw/zinc/32/30/00/402323000.db2.gz SSVJJXOFBZCMRZ-CYBMUJFWSA-N 1 0 301.415 2.389 50 0 DEAARO CC[C@H](C(=O)NCc1ccnc(C)n1)[N@H+](C)Cc1ccccc1 ZINC000225801607 402323724 /nfs/dbraw/zinc/32/37/24/402323724.db2.gz YGPJUFJODLRLTC-QGZVFWFLSA-N 1 0 312.417 2.312 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(=O)[nH]c1 ZINC000071815236 402280443 /nfs/dbraw/zinc/28/04/43/402280443.db2.gz FJPHRVWXKCOHRF-ZDUSSCGKSA-N 1 0 317.414 2.003 50 0 DEAARO Cn1c(=O)cc(C[NH2+][C@H](c2cccs2)C(C)(C)C)n(C)c1=O ZINC000071817086 402280537 /nfs/dbraw/zinc/28/05/37/402280537.db2.gz JNGAKYJOUWJMQV-CQSZACIVSA-N 1 0 321.446 2.023 50 0 DEAARO CC(C)CCOc1cccc(CN2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000214959948 402280675 /nfs/dbraw/zinc/28/06/75/402280675.db2.gz LQXHDDYXNJEJIM-KRWDZBQOSA-N 1 0 306.450 2.220 50 0 DEAARO Cc1ccc2nc(C[N@H+](C)C[C@@H]3CCCCO3)cc(=O)n2c1 ZINC000071821822 402282454 /nfs/dbraw/zinc/28/24/54/402282454.db2.gz HBDHAGQLFJHLOE-HNNXBMFYSA-N 1 0 301.390 2.004 50 0 DEAARO O=C(NCC[NH+]1CCCC1)c1cc(-n2cccn2)ccc1Cl ZINC000215443056 402283147 /nfs/dbraw/zinc/28/31/47/402283147.db2.gz HYNQJEDSCRIMJE-UHFFFAOYSA-N 1 0 318.808 2.351 50 0 DEAARO C=Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000215769980 402284361 /nfs/dbraw/zinc/28/43/61/402284361.db2.gz WRNDEJGBYKYZKV-SFHVURJKSA-N 1 0 314.429 2.391 50 0 DEAARO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1COCCO1 ZINC000215919698 402285703 /nfs/dbraw/zinc/28/57/03/402285703.db2.gz USRQAUNCTNZELH-CYBMUJFWSA-N 1 0 305.296 2.432 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000071834579 402286126 /nfs/dbraw/zinc/28/61/26/402286126.db2.gz GMMPKCVKDRXCIN-QGZVFWFLSA-N 1 0 318.396 2.020 50 0 DEAARO CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)cn1 ZINC000216084043 402286952 /nfs/dbraw/zinc/28/69/52/402286952.db2.gz XPXYMTVWXPFVBI-MRXNPFEDSA-N 1 0 314.437 2.184 50 0 DEAARO CCc1nccc(CN2CCC([C@H](O)c3ccccn3)CC2)n1 ZINC000216541081 402289405 /nfs/dbraw/zinc/28/94/05/402289405.db2.gz DPCXDCUTTYKYHG-SFHVURJKSA-N 1 0 312.417 2.380 50 0 DEAARO COCC(=O)N1CC[NH+](C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000225412575 402316684 /nfs/dbraw/zinc/31/66/84/402316684.db2.gz SWRJFYUZCLFZLW-QGZVFWFLSA-N 1 0 304.434 2.217 50 0 DEAARO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000229216290 402341241 /nfs/dbraw/zinc/34/12/41/402341241.db2.gz UZQNSJGOOZGFEN-GOEBONIOSA-N 1 0 310.463 2.399 50 0 DEAARO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCCO1 ZINC000229167131 402341387 /nfs/dbraw/zinc/34/13/87/402341387.db2.gz VSSOBIJGPGEGEH-XQQFMLRXSA-N 1 0 311.451 2.218 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H](c1ccccc1)n1cccn1 ZINC000230100088 402347309 /nfs/dbraw/zinc/34/73/09/402347309.db2.gz DMDXXYBSSGSKQN-SQNIBIBYSA-N 1 0 324.428 2.216 50 0 DEAARO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)[C@H]1CC[NH2+]C1 ZINC000236605839 402367956 /nfs/dbraw/zinc/36/79/56/402367956.db2.gz XQAZZGBUNVINGQ-SWLSCSKDSA-N 1 0 308.397 2.345 50 0 DEAARO Cc1c[nH]nc1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000244748860 402449749 /nfs/dbraw/zinc/44/97/49/402449749.db2.gz OPSYJCRCZMOGBR-UHFFFAOYSA-N 1 0 313.405 2.321 50 0 DEAARO COc1ccnc(CN2CCC([NH+]3CCSCC3)CC2)c1 ZINC000244873007 402450029 /nfs/dbraw/zinc/45/00/29/402450029.db2.gz WIGURALKUFZXKL-UHFFFAOYSA-N 1 0 307.463 2.103 50 0 DEAARO CCc1oc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1C ZINC000177568453 402416413 /nfs/dbraw/zinc/41/64/13/402416413.db2.gz SSJFCNIJBNFJAF-UHFFFAOYSA-N 1 0 320.433 2.335 50 0 DEAARO [NH3+]CC(=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000237949854 402427109 /nfs/dbraw/zinc/42/71/09/402427109.db2.gz WNIKCQAFXZFKCK-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO CCOCC[N@@H+]1CCN(c2ncnc3sccc32)C[C@H]1C ZINC000241634633 402443232 /nfs/dbraw/zinc/44/32/32/402443232.db2.gz PNXGIDLXYKOANU-GFCCVEGCSA-N 1 0 306.435 2.238 50 0 DEAARO Cn1nccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000241439840 402443556 /nfs/dbraw/zinc/44/35/56/402443556.db2.gz NMQKOWCKTHCVMT-UHFFFAOYSA-N 1 0 324.226 2.216 50 0 DEAARO Cc1n[nH]cc1CN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244659626 402447700 /nfs/dbraw/zinc/44/77/00/402447700.db2.gz HGCMDSKHFYCTRZ-XBXGTLAGSA-N 1 0 312.421 2.227 50 0 DEAARO COc1ccc(CNC(=O)CC[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000244701082 402448124 /nfs/dbraw/zinc/44/81/24/402448124.db2.gz JZVBRHBFEMLMCP-KRWDZBQOSA-N 1 0 320.433 2.202 50 0 DEAARO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178562162 402512212 /nfs/dbraw/zinc/51/22/12/402512212.db2.gz SXCIGEOKXQVNMW-GHMZBOCLSA-N 1 0 316.323 2.280 50 0 DEAARO CNC(=O)CN1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000170070041 402503102 /nfs/dbraw/zinc/50/31/02/402503102.db2.gz XPAOISUIXYHXSE-AUUYWEPGSA-N 1 0 315.461 2.028 50 0 DEAARO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccc2cccnc21 ZINC000170619201 402507872 /nfs/dbraw/zinc/50/78/72/402507872.db2.gz HVZRJUWSJIUTHB-UHFFFAOYSA-N 1 0 321.446 2.197 50 0 DEAARO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000247732276 402575244 /nfs/dbraw/zinc/57/52/44/402575244.db2.gz IHHZUQGOKSFLHF-ZWKOTPCHSA-N 1 0 313.445 2.176 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000179011449 402564567 /nfs/dbraw/zinc/56/45/67/402564567.db2.gz YOUQVCLUZIFJPE-LBPRGKRZSA-N 1 0 300.324 2.316 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000179023909 402565590 /nfs/dbraw/zinc/56/55/90/402565590.db2.gz YORGTPWRLMTUEW-HNNXBMFYSA-N 1 0 312.417 2.171 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]1CCOC1 ZINC000248732183 402605802 /nfs/dbraw/zinc/60/58/02/402605802.db2.gz DHCVZDLJPUDHJS-BPQIPLTHSA-N 1 0 316.445 2.440 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000249697437 402638331 /nfs/dbraw/zinc/63/83/31/402638331.db2.gz UROMSLGJOVMDFK-QWHCGFSZSA-N 1 0 322.371 2.431 50 0 DEAARO Nc1nc(NCCCOc2ccccc2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252536517 402658272 /nfs/dbraw/zinc/65/82/72/402658272.db2.gz IULRQRFGKQSIDP-BETUJISGSA-N 1 0 313.405 2.145 50 0 DEAARO COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H](C)[NH3+] ZINC000253415589 402664910 /nfs/dbraw/zinc/66/49/10/402664910.db2.gz DIINAJJKYNXCQB-SKDRFNHKSA-N 1 0 304.312 2.199 50 0 DEAARO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1ccnc1)C2 ZINC000253426662 402666012 /nfs/dbraw/zinc/66/60/12/402666012.db2.gz ICOPSCPUUHZHKC-WMLDXEAASA-N 1 0 305.422 2.327 50 0 DEAARO CC(=O)N1CC[N@H+](CCO[C@@H]2CCCCO2)CC12CCCCC2 ZINC000253431321 402666241 /nfs/dbraw/zinc/66/62/41/402666241.db2.gz GSBNECPZEKMVPA-QGZVFWFLSA-N 1 0 324.465 2.397 50 0 DEAARO Cc1noc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CC23CCCC3)n1 ZINC000257173998 402699957 /nfs/dbraw/zinc/69/99/57/402699957.db2.gz BDZCECXHEQBYEK-AWEZNQCLSA-N 1 0 301.394 2.271 50 0 DEAARO COc1cccc(CN(C)Cc2ccc([S@](C)=O)cc2)n1 ZINC000174980180 402768711 /nfs/dbraw/zinc/76/87/11/402768711.db2.gz KDCZYEVVNQNDOF-NRFANRHFSA-N 1 0 304.415 2.460 50 0 DEAARO C[C@H]1CCN(CC(O)C[N@@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000194839054 402818123 /nfs/dbraw/zinc/81/81/23/402818123.db2.gz ARPAVGMBSCVJNS-KBPBESRZSA-N 1 0 318.552 2.002 50 0 DEAARO Cc1nnc(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)s1 ZINC000299758606 403566753 /nfs/dbraw/zinc/56/67/53/403566753.db2.gz LBMQOAJIWYCQRY-OAHLLOKOSA-N 1 0 302.447 2.335 50 0 DEAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000299761117 403567835 /nfs/dbraw/zinc/56/78/35/403567835.db2.gz RPXLIGOIEDHZFA-INIZCTEOSA-N 1 0 306.381 2.290 50 0 DEAARO O=C(NCCc1c[nH]cn1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299776344 403571655 /nfs/dbraw/zinc/57/16/55/403571655.db2.gz AUYGLLCPBWSVPU-KSZLIROESA-N 1 0 324.428 2.294 50 0 DEAARO O=C([C@@H]1CCC[NH2+]CC1)N1CC(Oc2cccc(Cl)c2)C1 ZINC000299778975 403572033 /nfs/dbraw/zinc/57/20/33/403572033.db2.gz TUOLRHJUDLRTKV-GFCCVEGCSA-N 1 0 308.809 2.319 50 0 DEAARO Cc1cc(C)c(CC(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c(C)c1 ZINC000299779536 403573202 /nfs/dbraw/zinc/57/32/02/403573202.db2.gz HSZGHVQTTDWGIN-QGZVFWFLSA-N 1 0 318.461 2.117 50 0 DEAARO CCc1cccc(NC(=O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341185587 403812746 /nfs/dbraw/zinc/81/27/46/403812746.db2.gz JTFJNTYJJKHKEO-UHFFFAOYSA-N 1 0 303.450 2.461 50 0 DEAARO Cc1csc(N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)n1 ZINC000367245720 404979818 /nfs/dbraw/zinc/97/98/18/404979818.db2.gz GGGHAFAGFUKOQT-ZDUSSCGKSA-N 1 0 322.478 2.067 50 0 DEAARO [NH3+]Cc1nnc(SC[C@H]2CCCO2)n1-c1ccc(F)cc1 ZINC000426474138 405362633 /nfs/dbraw/zinc/36/26/33/405362633.db2.gz GEMLVWJDISYCRB-GFCCVEGCSA-N 1 0 308.382 2.136 50 0 DEAARO Nc1cccnc1-c1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000426538423 405367505 /nfs/dbraw/zinc/36/75/05/405367505.db2.gz MGBOBMFQXSPRDS-KRWDZBQOSA-N 1 0 322.412 2.155 50 0 DEAARO CCn1ncc(CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000426588952 405370368 /nfs/dbraw/zinc/37/03/68/405370368.db2.gz JMNCLXMSVCEHTE-INIZCTEOSA-N 1 0 306.454 2.434 50 0 DEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(C(C)=O)cn3C)[C@H]2C1 ZINC000426628756 405372168 /nfs/dbraw/zinc/37/21/68/405372168.db2.gz LMDSHXDZRLJQSN-OKZBNKHCSA-N 1 0 320.433 2.386 50 0 DEAARO CC(C)c1nccc(C(=O)N(C)C[C@@H](C)C[NH+]2CCCC2)n1 ZINC000426668344 405373617 /nfs/dbraw/zinc/37/36/17/405373617.db2.gz MMVJOJXPNSUCPD-CQSZACIVSA-N 1 0 304.438 2.404 50 0 DEAARO Cc1oc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1CO ZINC000585122197 405872103 /nfs/dbraw/zinc/87/21/03/405872103.db2.gz QHICDNVEZLUVQT-UHFFFAOYSA-N 1 0 302.374 2.437 50 0 DEAARO CC(C)Oc1ccc(CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000585120840 405872747 /nfs/dbraw/zinc/87/27/47/405872747.db2.gz OLVAIYGGKWTXLM-MRXNPFEDSA-N 1 0 304.434 2.474 50 0 DEAARO C[C@@H]1C[C@@H](NCc2ccccc2OCCCCO)CC[N@@H+]1C ZINC000585118077 405869643 /nfs/dbraw/zinc/86/96/43/405869643.db2.gz ANUGWYXKRPNIBP-WBVHZDCISA-N 1 0 306.450 2.410 50 0 DEAARO Cc1cnc(-c2ccccc2)n1C1CN(C(=O)[C@H]2CCOC2)C1 ZINC000575551360 406812492 /nfs/dbraw/zinc/81/24/92/406812492.db2.gz RPDDQAPCFXNTCX-HNNXBMFYSA-N 1 0 311.385 2.278 50 0 DEAARO COC[C@@H]1[C@H](C(=O)Nc2cc(C)ccc2OC)CCC[N@@H+]1C ZINC000575560773 406812699 /nfs/dbraw/zinc/81/26/99/406812699.db2.gz XIXNFAFQBKKPCK-UKRRQHHQSA-N 1 0 306.406 2.299 50 0 DEAARO COc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000129831116 196079007 /nfs/dbraw/zinc/07/90/07/196079007.db2.gz CCJJTEIGKKKWTR-HNNXBMFYSA-N 1 0 305.422 2.097 50 0 DEAARO C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069529056 287257664 /nfs/dbraw/zinc/25/76/64/287257664.db2.gz AVFPNYHPJMKUKI-IAGOWNOFSA-N 1 0 307.482 2.338 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000134082545 196359725 /nfs/dbraw/zinc/35/97/25/196359725.db2.gz GRUYEXKGWQOUOF-ZDUSSCGKSA-N 1 0 300.324 2.458 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1Cl ZINC000253370747 292574750 /nfs/dbraw/zinc/57/47/50/292574750.db2.gz VLMKSEUMIAOHTI-GHMZBOCLSA-N 1 0 302.827 2.149 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000178556776 224864585 /nfs/dbraw/zinc/86/45/85/224864585.db2.gz VXJASIPTKMSEBD-MJRJWQSSSA-N 1 0 309.207 2.270 50 0 DEAARO Cc1noc(C)c1CN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000045409929 424816974 /nfs/dbraw/zinc/81/69/74/424816974.db2.gz KYJHVAHEINHXKD-UHFFFAOYSA-N 1 0 306.410 2.060 50 0 DEAARO O=C(NCc1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000044893407 424813873 /nfs/dbraw/zinc/81/38/73/424813873.db2.gz XMTJWRZJZQNOKE-UHFFFAOYSA-N 1 0 302.403 2.175 50 0 DEAARO CC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc3ccccc3s2)C1 ZINC000044966209 424814804 /nfs/dbraw/zinc/81/48/04/424814804.db2.gz MFPUSGRUJROIGN-LBPRGKRZSA-N 1 0 318.446 2.437 50 0 DEAARO CC[N@@H+]1CC[C@H](CNC(=O)NCc2nc3ccccc3s2)C1 ZINC000044966207 424814860 /nfs/dbraw/zinc/81/48/60/424814860.db2.gz MFPUSGRUJROIGN-GFCCVEGCSA-N 1 0 318.446 2.437 50 0 DEAARO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccs2)s1 ZINC000049021355 424835949 /nfs/dbraw/zinc/83/59/49/424835949.db2.gz XYPXKYKOIGRSSZ-UHFFFAOYSA-N 1 0 316.473 2.350 50 0 DEAARO CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000048781867 424836045 /nfs/dbraw/zinc/83/60/45/424836045.db2.gz LUKHYYIQIAKIAT-UHFFFAOYSA-N 1 0 320.339 2.379 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000049075830 424836071 /nfs/dbraw/zinc/83/60/71/424836071.db2.gz UBTGEFJQULOZIJ-BXUZGUMPSA-N 1 0 324.222 2.357 50 0 DEAARO CN(Cc1ccoc1)C(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000102571262 424847709 /nfs/dbraw/zinc/84/77/09/424847709.db2.gz QWXWMZYHOQDMKA-FVQHAEBGSA-N 1 0 311.385 2.011 50 0 DEAARO COc1ccccc1/C=C\C[NH2+]CC(C)(C)N1CCOCC1 ZINC000103837198 424848672 /nfs/dbraw/zinc/84/86/72/424848672.db2.gz XTLGJRNADKFQBI-VURMDHGXSA-N 1 0 304.434 2.409 50 0 DEAARO Cc1ccc(C[N@@H+]2CCOCCNC(=O)[C@H]3CCCC[C@H]32)o1 ZINC000257194333 424888774 /nfs/dbraw/zinc/88/87/74/424888774.db2.gz TWHYRDMZUPEZBL-JKSUJKDBSA-N 1 0 306.406 2.095 50 0 DEAARO C[C@H]([NH2+]C1CCN(c2ccccc2F)CC1)c1nnc(N)s1 ZINC000584897746 424992891 /nfs/dbraw/zinc/99/28/91/424992891.db2.gz JDYFIHCUPRXKMR-JTQLQIEISA-N 1 0 321.425 2.579 50 0 DEAARO Nc1ncc(C(=O)NCCC2CC[NH+](C3CCCC3)CC2)s1 ZINC000584892839 424993017 /nfs/dbraw/zinc/99/30/17/424993017.db2.gz TZGXNJZXWGFPGV-UHFFFAOYSA-N 1 0 322.478 2.500 50 0 DEAARO C[NH+](C)CC1CN(C(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000519594502 269419819 /nfs/dbraw/zinc/41/98/19/269419819.db2.gz BQYQEUXTLJLQGT-UHFFFAOYSA-N 1 0 315.442 2.373 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C ZINC000063192905 274238579 /nfs/dbraw/zinc/23/85/79/274238579.db2.gz PZBLPJYGQKHBRK-KOLCDFICSA-N 1 0 314.227 2.130 50 0 DEAARO Cc1cc2nc(C)cc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2n1 ZINC000072411435 274730220 /nfs/dbraw/zinc/73/02/20/274730220.db2.gz JBVUKMIZVGLKNK-MRXNPFEDSA-N 1 0 307.401 2.497 50 0 DEAARO Cc1ccc([C@H](CNC(=O)c2cc(C)nc(C)n2)[NH+](C)C)cc1 ZINC000299781820 274760067 /nfs/dbraw/zinc/76/00/67/274760067.db2.gz FHQRVMHQHPARHU-KRWDZBQOSA-N 1 0 312.417 2.435 50 0 DEAARO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000253433300 275018989 /nfs/dbraw/zinc/01/89/89/275018989.db2.gz VJPKJUJAOJDZSC-AWEZNQCLSA-N 1 0 321.808 2.249 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000133478956 277299336 /nfs/dbraw/zinc/29/93/36/277299336.db2.gz FSCPDVYEXMRCRC-LBPRGKRZSA-N 1 0 300.324 2.458 50 0 DEAARO C[C@@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000229874872 278203828 /nfs/dbraw/zinc/20/38/28/278203828.db2.gz SDHCVMMWWINKIQ-SUMWQHHRSA-N 1 0 323.396 2.218 50 0 DEAARO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CC1(O)CCCC1 ZINC000089478705 278207903 /nfs/dbraw/zinc/20/79/03/278207903.db2.gz AKKYLPAJWYKGRS-AWEZNQCLSA-N 1 0 322.424 2.110 50 0 DEAARO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000248428240 278279201 /nfs/dbraw/zinc/27/92/01/278279201.db2.gz AOYRSDCRDFWIAP-PNBKFKSVSA-N 1 0 304.434 2.488 50 0 DEAARO CC(C)(C)N1C[C@@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O ZINC000090178368 278352380 /nfs/dbraw/zinc/35/23/80/278352380.db2.gz GVMGGDUDBXZOKT-JKSUJKDBSA-N 1 0 301.434 2.392 50 0 DEAARO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(OC)c1)C(=O)N1CCOCC1 ZINC000096489397 280969041 /nfs/dbraw/zinc/96/90/41/280969041.db2.gz VSIYMPVMCRHOTA-DOMZBBRYSA-N 1 0 324.396 2.122 50 0 DEAARO CC[C@H]1CN(Cc2cnc(N3CCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072147573 281170726 /nfs/dbraw/zinc/17/07/26/281170726.db2.gz KXRINWKLRLZYRV-KRWDZBQOSA-N 1 0 317.481 2.381 50 0 DEAARO CCn1nccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288752 281677341 /nfs/dbraw/zinc/67/73/41/281677341.db2.gz RKSMRFDRBHMUCS-HNNXBMFYSA-N 1 0 304.438 2.384 50 0 DEAARO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCCO1 ZINC000065449792 289868888 /nfs/dbraw/zinc/86/88/88/289868888.db2.gz VSSOBIJGPGEGEH-AVGNSLFASA-N 1 0 311.451 2.218 50 0 DEAARO C[C@H](c1nnnn1C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248936833 290288086 /nfs/dbraw/zinc/28/80/86/290288086.db2.gz CBXNFXDITIIMOD-HUUCEWRRSA-N 1 0 320.485 2.248 50 0 DEAARO Cc1sc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)nc1-c1ccc(C)cc1 ZINC000362750580 294077374 /nfs/dbraw/zinc/07/73/74/294077374.db2.gz UEZQNDVALSUQNH-CHWSQXEVSA-N 1 0 317.414 2.088 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccc2cnccc21 ZINC000261985690 298995650 /nfs/dbraw/zinc/99/56/50/298995650.db2.gz SFGNBSBZJJAFAG-SWLSCSKDSA-N 1 0 319.430 2.125 50 0 DEAARO Cc1ccccc1[C@@H](CNC(=O)c1cn2cccnc2n1)[NH+](C)C ZINC000067773479 302129412 /nfs/dbraw/zinc/12/94/12/302129412.db2.gz ZMJRLYRISFPIIX-MRXNPFEDSA-N 1 0 323.400 2.070 50 0 DEAARO Cc1cc(CNC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000534587265 334292544 /nfs/dbraw/zinc/29/25/44/334292544.db2.gz FDDCVVDKYMDNLA-CQSZACIVSA-N 1 0 302.422 2.158 50 0 DEAARO CC[N@H+](C)C1(CNC(=O)N(C)Cc2ncc[nH]2)CCCCC1 ZINC000534630362 334305380 /nfs/dbraw/zinc/30/53/80/334305380.db2.gz JTKJSMAINOCSAR-UHFFFAOYSA-N 1 0 307.442 2.206 50 0 DEAARO CCCn1cc(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000534634322 334308820 /nfs/dbraw/zinc/30/88/20/334308820.db2.gz CEXFPSKDNZNKMS-AWEZNQCLSA-N 1 0 319.453 2.061 50 0 DEAARO [NH3+]CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2F)CCO1 ZINC000534636203 334309316 /nfs/dbraw/zinc/30/93/16/334309316.db2.gz HKELCZMSPXRQAK-LBPRGKRZSA-N 1 0 306.303 2.394 50 0 DEAARO CC[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1ncnn1CC ZINC000534653780 334312823 /nfs/dbraw/zinc/31/28/23/334312823.db2.gz PJDKZGRVIIIHEG-CQSZACIVSA-N 1 0 307.442 2.131 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000097097249 337382147 /nfs/dbraw/zinc/38/21/47/337382147.db2.gz WTLKQRYTHASPOY-AWEZNQCLSA-N 1 0 301.434 2.141 50 0 DEAARO CC[C@H]([NH3+])C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000097228778 337382347 /nfs/dbraw/zinc/38/23/47/337382347.db2.gz FXVGPEGAQUNXNM-AWEZNQCLSA-N 1 0 310.344 2.123 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000241897278 534117462 /nfs/dbraw/zinc/11/74/62/534117462.db2.gz TXGHUHMIVOIEGD-SNPRPXQTSA-N 1 0 320.458 2.451 50 0 DEAARO C[NH2+]CCC(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000262178124 536443422 /nfs/dbraw/zinc/44/34/22/536443422.db2.gz KTDNLWIQFPTSOE-UHFFFAOYSA-N 1 0 304.434 2.476 50 0 DEAARO CC(=O)Nc1ccc(F)c(NC(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000299766300 527002180 /nfs/dbraw/zinc/00/21/80/527002180.db2.gz IHHDKTZIIVYFIY-ZDUSSCGKSA-N 1 0 322.384 2.390 50 0 DEAARO CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299739815 528636512 /nfs/dbraw/zinc/63/65/12/528636512.db2.gz RONUUZTWIKMXCH-IAQYHMDHSA-N 1 0 312.360 2.175 50 0 DEAARO Fc1ccc(C2(C[NH2+]C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000058305889 538542946 /nfs/dbraw/zinc/54/29/46/538542946.db2.gz MXHMASCXCBETMJ-ZDUSSCGKSA-N 1 0 300.381 2.385 50 0 DEAARO CCNC(=O)[C@H]1CC[N@H+](Cc2cc(=O)c3cc(C)ccc3[nH]2)C1 ZINC000253536021 563784159 /nfs/dbraw/zinc/78/41/59/563784159.db2.gz CUKCNWRQDONIRL-ZDUSSCGKSA-N 1 0 313.401 2.207 50 0 DEAARO O=C(CC(F)(F)F)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991042 635171917 /nfs/dbraw/zinc/17/19/17/635171917.db2.gz KUMMRDNBVKRIOI-UHFFFAOYSA-N 1 0 301.312 2.115 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C(/C)Cc2ccccc2OC)C1 ZINC000178983746 637543270 /nfs/dbraw/zinc/54/32/70/637543270.db2.gz 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O=S(=O)(CC1CCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000828387649 783797642 /nfs/dbraw/zinc/79/76/42/783797642.db2.gz CJUMEUMJTUAYHJ-JKSUJKDBSA-N 1 0 314.495 2.361 50 0 DEAARO CC(C)C[N@H+](C1CN(Cc2nccs2)C1)C1CCOCC1 ZINC000581794753 784783251 /nfs/dbraw/zinc/78/32/51/784783251.db2.gz SKZQAVQHPGRKTA-UHFFFAOYSA-N 1 0 309.479 2.464 50 0 DEAARO CC[C@@H](CO)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000584908794 789635654 /nfs/dbraw/zinc/63/56/54/789635654.db2.gz DPXHIMNXXJZTIZ-RDJZCZTQSA-N 1 0 304.434 2.128 50 0 DEAARO Cc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc(=O)[nH]1 ZINC000585080353 789678201 /nfs/dbraw/zinc/67/82/01/789678201.db2.gz VPQTUOIRRXIAIO-UHFFFAOYSA-N 1 0 315.373 2.288 50 0 DEAARO CC(C)[NH+]1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 ZINC000585500253 791836274 /nfs/dbraw/zinc/83/62/74/791836274.db2.gz DFDZNRUGEOSKBS-UHFFFAOYSA-N 1 0 312.417 2.426 50 0 DEAARO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000952876262 792791915 /nfs/dbraw/zinc/79/19/15/792791915.db2.gz 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316.854 2.491 50 0 DEAARO CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000089948263 185270793 /nfs/dbraw/zinc/27/07/93/185270793.db2.gz MUJPOKXODISERW-ZBFHGGJFSA-N 1 0 311.470 2.365 50 0 DEAARO Cc1ccc([C@@H](OC[C@H](O)C[NH2+]CCO)c2ccccc2)cc1 ZINC000006936164 190626399 /nfs/dbraw/zinc/62/63/99/190626399.db2.gz AFNARYZLVYNTOL-MOPGFXCFSA-N 1 0 315.413 2.044 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(Cn2cccn2)CC1 ZINC000095391621 185351863 /nfs/dbraw/zinc/35/18/63/185351863.db2.gz CVEAGSHAWAULHR-HNNXBMFYSA-N 1 0 304.438 2.044 50 0 DEAARO CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095411281 185357407 /nfs/dbraw/zinc/35/74/07/185357407.db2.gz QEEGTXKOYZJNTH-RDJZCZTQSA-N 1 0 323.481 2.196 50 0 DEAARO CC(C)(C[NH2+]Cc1cc2ccccc2s1)NS(C)(=O)=O ZINC000095412242 185357783 /nfs/dbraw/zinc/35/77/83/185357783.db2.gz LSVACIGPVIJVIF-UHFFFAOYSA-N 1 0 312.460 2.319 50 0 DEAARO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cccs1 ZINC000095421132 185360584 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Cc1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc1-n1cncn1 ZINC000085332988 539399692 /nfs/dbraw/zinc/39/96/92/539399692.db2.gz IUDDFOSURUCYME-MOPGFXCFSA-N 1 0 320.396 2.324 50 0 DEAARO C[S@@](=O)c1ccc(C[NH2+]CCNC(=O)C2CCCCC2)cc1 ZINC000085306662 539399764 /nfs/dbraw/zinc/39/97/64/539399764.db2.gz WXRPVXXQYAUQML-QFIPXVFZSA-N 1 0 322.474 2.210 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000240668572 530053120 /nfs/dbraw/zinc/05/31/20/530053120.db2.gz HNNASAHHWJHEPQ-WNRNVDISSA-N 1 0 319.493 2.051 50 0 DEAARO Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069709213 190806730 /nfs/dbraw/zinc/80/67/30/190806730.db2.gz SGZBHGLAEMCAQV-HZPDHXFCSA-N 1 0 305.422 2.309 50 0 DEAARO CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000083752437 192381700 /nfs/dbraw/zinc/38/17/00/192381700.db2.gz CUTSYWAZLZDUHZ-UHFFFAOYSA-N 1 0 309.454 2.073 50 0 DEAARO C[N@H+](CCNS(=O)(=O)c1ccc2ccccc2c1)C1CC1 ZINC000083860947 192387574 /nfs/dbraw/zinc/38/75/74/192387574.db2.gz 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COC(=O)c1ccc(N2CC[NH+](CCCSC)CC2)cc1 ZINC000072478047 191180023 /nfs/dbraw/zinc/18/00/23/191180023.db2.gz GWAHTBVVOUBMRU-UHFFFAOYSA-N 1 0 308.447 2.348 50 0 DEAARO CC(C)(C)OC(=O)CN1C(=O)[C@@H]([NH3+])CCC[C@@H]1c1ccccc1 ZINC000034204114 354161001 /nfs/dbraw/zinc/16/10/01/354161001.db2.gz HQMBIVACEHSGJR-LSDHHAIUSA-N 1 0 318.417 2.409 50 0 DEAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccncc3)C2=O)cc1 ZINC000004593406 181128215 /nfs/dbraw/zinc/12/82/15/181128215.db2.gz WRFROLPXEOEBSE-QGZVFWFLSA-N 1 0 323.396 2.108 50 0 DEAARO CC(C)NC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255890 354680783 /nfs/dbraw/zinc/68/07/83/354680783.db2.gz FSPNMAPVFRSDNJ-QGZVFWFLSA-N 1 0 324.428 2.371 50 0 DEAARO COc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000072276717 354900372 /nfs/dbraw/zinc/90/03/72/354900372.db2.gz IBPOVTNOEDQDPA-OAHLLOKOSA-N 1 0 316.380 2.383 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccccc1F ZINC000072300473 354901041 /nfs/dbraw/zinc/90/10/41/354901041.db2.gz HBMQRVHMGFOVNA-HUBLWGQQSA-N 1 0 314.426 2.146 50 0 DEAARO O=C(Cc1cccnc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618257597 363432655 /nfs/dbraw/zinc/43/26/55/363432655.db2.gz YVLJENXSXYWKCF-OAHLLOKOSA-N 1 0 301.415 2.076 50 0 DEAARO CC(C)[N@@H+]1CCCN(C(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000075693290 355102134 /nfs/dbraw/zinc/10/21/34/355102134.db2.gz BYBWGSOGSQTSBE-UHFFFAOYSA-N 1 0 300.406 2.048 50 0 DEAARO C/C=C/CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073726560 191348238 /nfs/dbraw/zinc/34/82/38/191348238.db2.gz IXQRXOYIGFKXEA-ONEGZZNKSA-N 1 0 301.434 2.130 50 0 DEAARO O=[S@@](CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000078757415 355277726 /nfs/dbraw/zinc/27/77/26/355277726.db2.gz YZIVBMJFFSFBQQ-LHSJRXKWSA-N 1 0 303.431 2.397 50 0 DEAARO Cc1ccc2nc(C(=O)NCCC[NH+]3CCCCC3)cn2c1 ZINC000097939157 355706022 /nfs/dbraw/zinc/70/60/22/355706022.db2.gz RCKYGNVXLLFYTQ-UHFFFAOYSA-N 1 0 300.406 2.249 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)CC2 ZINC000136400531 355867940 /nfs/dbraw/zinc/86/79/40/355867940.db2.gz UHXGOEJSOPWGJO-ZFWWWQNUSA-N 1 0 314.433 2.472 50 0 DEAARO CCCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000078729344 191920432 /nfs/dbraw/zinc/92/04/32/191920432.db2.gz UMURJRMJOBBQRD-UHFFFAOYSA-N 1 0 318.396 2.425 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)c2ccsc2)CC1 ZINC000169751021 355980443 /nfs/dbraw/zinc/98/04/43/355980443.db2.gz VPOYTDYCFIKBAM-CYBMUJFWSA-N 1 0 308.447 2.321 50 0 DEAARO CC(C)NC(=O)N1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000169774509 355982091 /nfs/dbraw/zinc/98/20/91/355982091.db2.gz GBULHVVAIJHCMN-UHFFFAOYSA-N 1 0 317.433 2.463 50 0 DEAARO Cc1cnc(C(=O)N2CCCCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000169791632 355984998 /nfs/dbraw/zinc/98/49/98/355984998.db2.gz JLEXBTKAVYQBAD-HNNXBMFYSA-N 1 0 302.422 2.266 50 0 DEAARO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000195554640 356256692 /nfs/dbraw/zinc/25/66/92/356256692.db2.gz BXOVQEQOKPUOIQ-QWHCGFSZSA-N 1 0 311.813 2.232 50 0 DEAARO [NH3+][C@H](C(=O)N1CCO[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC000195555095 356256741 /nfs/dbraw/zinc/25/67/41/356256741.db2.gz MWEZGPPSRLNPPU-MSOLQXFVSA-N 1 0 310.397 2.157 50 0 DEAARO CCOc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1OCC ZINC000236911772 202067554 /nfs/dbraw/zinc/06/75/54/202067554.db2.gz JBZBVISCUFUQKD-JSGCOSHPSA-N 1 0 306.406 2.354 50 0 DEAARO CCOc1c(Cl)cc(/C=C/C(=O)N2CC[NH2+]CC2)cc1OC ZINC000237053674 202135650 /nfs/dbraw/zinc/13/56/50/202135650.db2.gz OYFFVHUDZLDHHO-SNAWJCMRSA-N 1 0 324.808 2.192 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000237234901 202199071 /nfs/dbraw/zinc/19/90/71/202199071.db2.gz CSUFOAKJLLBLIE-XJKSGUPXSA-N 1 0 304.459 2.475 50 0 DEAARO O=c1c2cc(F)ccc2ncn1CCCCC[NH+]1CCOCC1 ZINC000584888641 357326117 /nfs/dbraw/zinc/32/61/17/357326117.db2.gz MIJOSOORTMEASJ-UHFFFAOYSA-N 1 0 319.380 2.038 50 0 DEAARO Cc1cc2cc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)ccc2o1 ZINC000584898767 357330861 /nfs/dbraw/zinc/33/08/61/357330861.db2.gz XRDOTAIJYJGZIU-HOTGVXAUSA-N 1 0 314.385 2.022 50 0 DEAARO Cc1ncn(C)c1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000584898681 357330888 /nfs/dbraw/zinc/33/08/88/357330888.db2.gz ZKHNBMXNEUEKAP-UHFFFAOYSA-N 1 0 300.406 2.062 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000178527420 198883302 /nfs/dbraw/zinc/88/33/02/198883302.db2.gz OMHXKVSUFGXONM-NSHDSACASA-N 1 0 319.792 2.074 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1 ZINC000178543858 198885868 /nfs/dbraw/zinc/88/58/68/198885868.db2.gz FHZYIFJEGTWBQT-TXXBHVLJSA-N 1 0 315.236 2.331 50 0 DEAARO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc2ccccc21 ZINC000060890717 283303773 /nfs/dbraw/zinc/30/37/73/283303773.db2.gz VMUNMAZBFANLIN-OAHLLOKOSA-N 1 0 311.385 2.042 50 0 DEAARO C[NH2+]CC1CCN(C(=O)c2c(Cl)n(C)nc2C(C)C)CC1 ZINC000237346058 202239654 /nfs/dbraw/zinc/23/96/54/202239654.db2.gz SBHSOKBKKOBIIY-UHFFFAOYSA-N 1 0 312.845 2.269 50 0 DEAARO Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]3CC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000237704545 202333834 /nfs/dbraw/zinc/33/38/34/202333834.db2.gz GPAGGVNJPACLKI-ZOBUZTSGSA-N 1 0 302.418 2.201 50 0 DEAARO C[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000188371238 200235935 /nfs/dbraw/zinc/23/59/35/200235935.db2.gz FXJMWOFXXHPDLZ-LLVKDONJSA-N 1 0 316.323 2.338 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)C1 ZINC000237864298 202373598 /nfs/dbraw/zinc/37/35/98/202373598.db2.gz XNMVPAFSKVQEHZ-FVQBIDKESA-N 1 0 306.381 2.243 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000237921119 202391582 /nfs/dbraw/zinc/39/15/82/202391582.db2.gz JDRBSXDAXWLKPK-XXILOJSOSA-N 1 0 317.216 2.270 50 0 DEAARO CCN(CCC[NH+]1CCCC1)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000190232598 200504447 /nfs/dbraw/zinc/50/44/47/200504447.db2.gz MYKUITGGAIKOJX-GJZGRUSLSA-N 1 0 311.470 2.460 50 0 DEAARO COc1cccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1F ZINC000669682672 540879495 /nfs/dbraw/zinc/87/94/95/540879495.db2.gz ZDQWLYWTNUJFHX-STQMWFEESA-N 1 0 315.410 2.280 50 0 DEAARO c1ccc2c(c1)ncnc2N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000670438629 540933072 /nfs/dbraw/zinc/93/30/72/540933072.db2.gz OYKITGAXQQIPLZ-HNNXBMFYSA-N 1 0 312.417 2.178 50 0 DEAARO CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000670438265 540933159 /nfs/dbraw/zinc/93/31/59/540933159.db2.gz ZKVKSFVUFWPFDS-ZDUSSCGKSA-N 1 0 322.430 2.364 50 0 DEAARO OC[C@H]1CCC[N@H+](CCNc2cc(C(F)(F)F)ccn2)C1 ZINC000670442508 540933815 /nfs/dbraw/zinc/93/38/15/540933815.db2.gz CSJHGNKIFHOYDE-NSHDSACASA-N 1 0 303.328 2.217 50 0 DEAARO Cc1c[nH]c(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)c(C)c1=O ZINC000244633100 202486744 /nfs/dbraw/zinc/48/67/44/202486744.db2.gz FWNJWBCYOGJXET-CYBMUJFWSA-N 1 0 305.422 2.285 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000195115445 201341674 /nfs/dbraw/zinc/34/16/74/201341674.db2.gz QGSNYOPJNCDJES-JTQLQIEISA-N 1 0 303.189 2.322 50 0 DEAARO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000195258061 201368183 /nfs/dbraw/zinc/36/81/83/201368183.db2.gz LGRXBCLWBOACCM-OAHLLOKOSA-N 1 0 319.478 2.102 50 0 DEAARO CCOC(=O)C1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000006702868 181374439 /nfs/dbraw/zinc/37/44/39/181374439.db2.gz AIPNKYPGRYOLRM-UHFFFAOYSA-N 1 0 307.390 2.349 50 0 DEAARO Cc1ccc(Cn2ncc3c2ncnc3NCC[NH+](C)C)cc1 ZINC000006759430 181384731 /nfs/dbraw/zinc/38/47/31/181384731.db2.gz MXDDBHICKBIYBT-UHFFFAOYSA-N 1 0 310.405 2.157 50 0 DEAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000091303890 193036718 /nfs/dbraw/zinc/03/67/18/193036718.db2.gz GQAUJANMTCCCIS-RDTXWAMCSA-N 1 0 305.418 2.499 50 0 DEAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H]1C[NH2+]CCOC1 ZINC000091391303 193050197 /nfs/dbraw/zinc/05/01/97/193050197.db2.gz BMERDEIJJRIMNW-ZDUSSCGKSA-N 1 0 302.374 2.015 50 0 DEAARO CCc1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091411364 193051520 /nfs/dbraw/zinc/05/15/20/193051520.db2.gz PPLOEWQJPNURFT-IAGOWNOFSA-N 1 0 316.445 2.025 50 0 DEAARO Cc1n[nH]c(CCC(=O)N2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)c1C ZINC000091416929 193053071 /nfs/dbraw/zinc/05/30/71/193053071.db2.gz KNIODZVXYDIIGB-ZBFHGGJFSA-N 1 0 306.454 2.004 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CCOc1ccc(F)cc1)C2 ZINC000091586721 193075234 /nfs/dbraw/zinc/07/52/34/193075234.db2.gz SKYHUHLYJYEJBQ-DOTOQJQBSA-N 1 0 322.424 2.247 50 0 DEAARO CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@H](C)F)CC1 ZINC000624124671 365297668 /nfs/dbraw/zinc/29/76/68/365297668.db2.gz IGZXOGJXEXLTHF-AWEZNQCLSA-N 1 0 315.433 2.021 50 0 DEAARO Cn1c(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000091665782 193088331 /nfs/dbraw/zinc/08/83/31/193088331.db2.gz RUIYVGRDIDDGRP-CVEARBPZSA-N 1 0 315.461 2.170 50 0 DEAARO CC(C)COc1cccc(CN2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091677273 193089580 /nfs/dbraw/zinc/08/95/80/193089580.db2.gz RZLLGWMDWXBUKW-QZTJIDSGSA-N 1 0 320.477 2.323 50 0 DEAARO CN(CCNC(=O)CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000092107120 193160147 /nfs/dbraw/zinc/16/01/47/193160147.db2.gz ATECHHHWABXAPU-INIZCTEOSA-N 1 0 303.450 2.361 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 ZINC000096439328 193644872 /nfs/dbraw/zinc/64/48/72/193644872.db2.gz BHKGLOWGNHMNOH-GOEBONIOSA-N 1 0 321.469 2.014 50 0 DEAARO CC[NH+]1CCN(C[C@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000019367325 182120302 /nfs/dbraw/zinc/12/03/02/182120302.db2.gz DXIJJSKQKLBVAK-AWEZNQCLSA-N 1 0 312.841 2.026 50 0 DEAARO O=C(NCCN1CC[NH2+]CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019798755 182150873 /nfs/dbraw/zinc/15/08/73/182150873.db2.gz BIJVHXWERVMSCP-UHFFFAOYSA-N 1 0 317.220 2.020 50 0 DEAARO COC(=O)c1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020168236 182194675 /nfs/dbraw/zinc/19/46/75/182194675.db2.gz HFVCAINVKHYNOM-KBPBESRZSA-N 1 0 307.390 2.351 50 0 DEAARO O[C@@H](COc1ccc(CN2CCCO2)cc1)C[NH+]1CCCCC1 ZINC000020167125 182194045 /nfs/dbraw/zinc/19/40/45/182194045.db2.gz ZCNJCOHBHVCYGE-QGZVFWFLSA-N 1 0 320.433 2.050 50 0 DEAARO Cn1cncc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000020204249 182197700 /nfs/dbraw/zinc/19/77/00/182197700.db2.gz JABRBOZDPKMLAL-MRXNPFEDSA-N 1 0 312.417 2.062 50 0 DEAARO CCOc1cc(C=O)ccc1OCCCC[NH+]1CCOCC1 ZINC000020325394 182207921 /nfs/dbraw/zinc/20/79/21/182207921.db2.gz XXBHIIABKLDDRP-UHFFFAOYSA-N 1 0 307.390 2.389 50 0 DEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020563983 182232618 /nfs/dbraw/zinc/23/26/18/182232618.db2.gz ZVYICORZGXPMKZ-AWEZNQCLSA-N 1 0 317.389 2.160 50 0 DEAARO CCCn1cnc(NC(=O)NC(C)(C)C[NH+]2CCCCCC2)n1 ZINC000020598383 182236172 /nfs/dbraw/zinc/23/61/72/182236172.db2.gz FALSRCMWLXIMJJ-UHFFFAOYSA-N 1 0 322.457 2.464 50 0 DEAARO COCCNC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020745460 182246049 /nfs/dbraw/zinc/24/60/49/182246049.db2.gz NSOJPIGLCSCQFT-UHFFFAOYSA-N 1 0 324.424 2.470 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1 ZINC000022752791 182332698 /nfs/dbraw/zinc/33/26/98/182332698.db2.gz NCJUHRXIBDYPDL-INIZCTEOSA-N 1 0 313.401 2.188 50 0 DEAARO O=C(c1c(F)cccc1Br)N1CCC[NH2+]CC1 ZINC000122325007 284597839 /nfs/dbraw/zinc/59/78/39/284597839.db2.gz QQHDRTJCOUDCBI-UHFFFAOYSA-N 1 0 301.159 2.024 50 0 DEAARO COCCCNC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000040161477 183041353 /nfs/dbraw/zinc/04/13/53/183041353.db2.gz DVVPTBWPEVDNAD-UHFFFAOYSA-N 1 0 304.434 2.094 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])cc(OC)c1 ZINC000493710847 249369098 /nfs/dbraw/zinc/36/90/98/249369098.db2.gz CURACQPNEGZDPO-AFNCTOJWSA-N 1 0 304.390 2.057 50 0 DEAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000043944334 183390436 /nfs/dbraw/zinc/39/04/36/183390436.db2.gz RERIMWNLSJYPMD-UHFFFAOYSA-N 1 0 314.476 2.042 50 0 DEAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106380609 194204670 /nfs/dbraw/zinc/20/46/70/194204670.db2.gz KDMDKRLPKZHIPB-KRWDZBQOSA-N 1 0 312.417 2.030 50 0 DEAARO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000268928182 207096395 /nfs/dbraw/zinc/09/63/95/207096395.db2.gz LRVGZWSHTGPPPZ-LBPRGKRZSA-N 1 0 306.406 2.256 50 0 DEAARO CCc1nc(CC(=O)NC2CC[NH+](CC(C)C)CC2)cs1 ZINC000056969107 184022710 /nfs/dbraw/zinc/02/27/10/184022710.db2.gz HWTUNILVNGESCH-UHFFFAOYSA-N 1 0 309.479 2.485 50 0 DEAARO COCCCC(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000058198079 184086897 /nfs/dbraw/zinc/08/68/97/184086897.db2.gz WOHDJSBRWVXNOF-UHFFFAOYSA-N 1 0 320.433 2.202 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(O)c(Cl)c2)N1 ZINC000058243973 184093796 /nfs/dbraw/zinc/09/37/96/184093796.db2.gz WVVOXPHMJINVKK-CYBMUJFWSA-N 1 0 313.748 2.492 50 0 DEAARO O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058379536 184110478 /nfs/dbraw/zinc/11/04/78/184110478.db2.gz SDVXBYUBEOKULT-QGZVFWFLSA-N 1 0 314.429 2.251 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc([C@@H](C)O)cc1)CN2 ZINC000058291764 184101483 /nfs/dbraw/zinc/10/14/83/184101483.db2.gz UNRJITIPAHRQKA-UKRRQHHQSA-N 1 0 300.406 2.076 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3ccnc3)cc1)CN2 ZINC000058299946 184103070 /nfs/dbraw/zinc/10/30/70/184103070.db2.gz TVMDSIFGGFPVKA-MRXNPFEDSA-N 1 0 322.416 2.209 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000058393793 184112485 /nfs/dbraw/zinc/11/24/85/184112485.db2.gz IKWUGCLBQXSMFZ-PBHICJAKSA-N 1 0 302.418 2.227 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000269155587 207280134 /nfs/dbraw/zinc/28/01/34/207280134.db2.gz GDERNBYLSCLDPK-ZYOFXKKJSA-N 1 0 310.829 2.074 50 0 DEAARO CCc1cc(N[C@@H](c2nccn2C)C2CC2)nc(N(C)C)[nH+]1 ZINC000065422878 184341967 /nfs/dbraw/zinc/34/19/67/184341967.db2.gz QOQJHGMGIGSYDO-CQSZACIVSA-N 1 0 300.410 2.402 50 0 DEAARO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)nc1 ZINC000065487567 184352379 /nfs/dbraw/zinc/35/23/79/184352379.db2.gz RFTWAQMIKGZVQI-INIZCTEOSA-N 1 0 312.417 2.023 50 0 DEAARO Cc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)nc(C)n1 ZINC000065397383 184335845 /nfs/dbraw/zinc/33/58/45/184335845.db2.gz QSOXCMQHMAMOKP-QGZVFWFLSA-N 1 0 324.428 2.222 50 0 DEAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)c1cc(C(C)C)oc1C ZINC000065533623 184361831 /nfs/dbraw/zinc/36/18/31/184361831.db2.gz DXEAOZPMTYOJNZ-OCCSQVGLSA-N 1 0 322.405 2.029 50 0 DEAARO O[C@@H](COc1ccccc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065590170 184369994 /nfs/dbraw/zinc/36/99/94/184369994.db2.gz MWWLDMXWYHUCII-MRXNPFEDSA-N 1 0 301.390 2.029 50 0 DEAARO CON(C)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000065622576 184374881 /nfs/dbraw/zinc/37/48/81/184374881.db2.gz OEKGVYRPSMOAMA-AWEZNQCLSA-N 1 0 316.323 2.461 50 0 DEAARO O=c1n(CC2CCC2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067678632 184478919 /nfs/dbraw/zinc/47/89/19/184478919.db2.gz CYUQYUFFWSONAF-HNNXBMFYSA-N 1 0 312.417 2.301 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000158511986 197279126 /nfs/dbraw/zinc/27/91/26/197279126.db2.gz KGXOMCRXZXHDSH-OAHLLOKOSA-N 1 0 322.836 2.338 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 ZINC000158410974 197270234 /nfs/dbraw/zinc/27/02/34/197270234.db2.gz JNHINEORDZZQCY-GFCCVEGCSA-N 1 0 311.223 2.331 50 0 DEAARO [NH3+]CCC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000156756861 197138172 /nfs/dbraw/zinc/13/81/72/197138172.db2.gz BAWGIIAKQYEFAA-UHFFFAOYSA-N 1 0 304.394 2.382 50 0 DEAARO CCOc1c(Cl)cc(C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000155036976 197016344 /nfs/dbraw/zinc/01/63/44/197016344.db2.gz CJGKXWDWTPZQPF-SNVBAGLBSA-N 1 0 312.797 2.181 50 0 DEAARO c1c(CC[NH2+]C2CCC3(CC2)OCCO3)nc2n1CCCC2 ZINC000155104436 197022460 /nfs/dbraw/zinc/02/24/60/197022460.db2.gz LMUWRDFJPRRIRS-UHFFFAOYSA-N 1 0 305.422 2.037 50 0 DEAARO CC[C@H]1CCC[C@@H](C[NH2+]CC2(S(C)(=O)=O)CCOCC2)C1 ZINC000096010145 256550481 /nfs/dbraw/zinc/55/04/81/256550481.db2.gz ZHWCWZXBUNOAOA-LSDHHAIUSA-N 1 0 317.495 2.386 50 0 DEAARO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270685135 257237866 /nfs/dbraw/zinc/23/78/66/257237866.db2.gz SVDVFMVREYPTLI-CPUCHLNUSA-N 1 0 302.418 2.355 50 0 DEAARO CCOC[C@@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000071904906 184898595 /nfs/dbraw/zinc/89/85/95/184898595.db2.gz AMWSAFPZKTWPLU-SFHVURJKSA-N 1 0 318.461 2.159 50 0 DEAARO O=C(NC[C@@H]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132820197 144769715 /nfs/dbraw/zinc/76/97/15/144769715.db2.gz NDKZHQOXOOTAFH-CVEARBPZSA-N 1 0 321.465 2.143 50 0 DEAARO COC(=O)C12CCC(C(=O)N(C)CC[N@H+](C)C3CC3)(CC1)CC2 ZINC000347072080 146189561 /nfs/dbraw/zinc/18/95/61/146189561.db2.gz PYRBGZDJFJYQTN-UHFFFAOYSA-N 1 0 322.449 2.053 50 0 DEAARO COCC[NH2+]CCOCCOc1ccccc1Br ZINC000002981013 401721055 /nfs/dbraw/zinc/72/10/55/401721055.db2.gz QVINQCJWQUHTNQ-UHFFFAOYSA-N 1 0 318.211 2.081 50 0 DEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(CCc3ccccc3C2)N1 ZINC000007030645 401735809 /nfs/dbraw/zinc/73/58/09/401735809.db2.gz LSACYBMSJIKLMX-GOSISDBHSA-N 1 0 303.369 2.427 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)cc3cccnc32)C[C@H]1C ZINC000071864500 401688837 /nfs/dbraw/zinc/68/88/37/401688837.db2.gz AECWMQUEOQLVCI-ZIAGYGMSSA-N 1 0 317.408 2.261 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccccc1Br ZINC000126324585 401689315 /nfs/dbraw/zinc/68/93/15/401689315.db2.gz YJJKGVAQEJDKIS-NSHDSACASA-N 1 0 311.223 2.202 50 0 DEAARO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882059 401691661 /nfs/dbraw/zinc/69/16/61/401691661.db2.gz BJEXIBCHNMWLJF-SQWLQELKSA-N 1 0 303.406 2.473 50 0 DEAARO CN1CCc2c1nc1ccccc1c2NC(=O)C[NH+]1CCCC1 ZINC000000245498 401691704 /nfs/dbraw/zinc/69/17/04/401691704.db2.gz VLEXSUFTPPVMOX-UHFFFAOYSA-N 1 0 310.401 2.261 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)cc1O ZINC000071924574 401697956 /nfs/dbraw/zinc/69/79/56/401697956.db2.gz WGRWMMZTUQWHHR-OLZOCXBDSA-N 1 0 306.406 2.280 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000072157493 401703608 /nfs/dbraw/zinc/70/36/08/401703608.db2.gz STGMGAULHXXZFR-AWEZNQCLSA-N 1 0 313.405 2.028 50 0 DEAARO Cc1ccc(-c2cc(C[NH2+]C[C@@H]3CN(C)CCO3)on2)cc1 ZINC000072267916 401704805 /nfs/dbraw/zinc/70/48/05/401704805.db2.gz VLPVHMYRQJLMOC-MRXNPFEDSA-N 1 0 301.390 2.070 50 0 DEAARO C[S@@](=O)CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000072286926 401706409 /nfs/dbraw/zinc/70/64/09/401706409.db2.gz NWOGSWQCLRXYNG-NRFANRHFSA-N 1 0 304.415 2.129 50 0 DEAARO COc1ccc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000002655727 401716706 /nfs/dbraw/zinc/71/67/06/401716706.db2.gz UDFJRFYMXHQUKK-UHFFFAOYSA-N 1 0 314.341 2.152 50 0 DEAARO O=S(=O)(Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013426339 401800173 /nfs/dbraw/zinc/80/01/73/401800173.db2.gz UYMIOEYPKKNZEP-UHFFFAOYSA-N 1 0 322.474 2.467 50 0 DEAARO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000075131916 401750866 /nfs/dbraw/zinc/75/08/66/401750866.db2.gz YGARVWHMAVUFQU-ZIAGYGMSSA-N 1 0 318.446 2.114 50 0 DEAARO CCC(C)(C)[NH2+]CC(=O)NCC(=O)Nc1c(C)cccc1C ZINC000008705716 401755368 /nfs/dbraw/zinc/75/53/68/401755368.db2.gz TYXRNVQRZXEVID-UHFFFAOYSA-N 1 0 305.422 2.136 50 0 DEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1C ZINC000009313563 401761064 /nfs/dbraw/zinc/76/10/64/401761064.db2.gz BGPFEKHKFDMLJE-HNNXBMFYSA-N 1 0 307.357 2.450 50 0 DEAARO CC1CC[NH+](CCCNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000010540678 401771032 /nfs/dbraw/zinc/77/10/32/401771032.db2.gz OKQZWWNMYWURNZ-QGZVFWFLSA-N 1 0 318.417 2.065 50 0 DEAARO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)NC2CCOCC2)cc1 ZINC000075861734 401771322 /nfs/dbraw/zinc/77/13/22/401771322.db2.gz YFZLLURWTLIBFI-UHFFFAOYSA-N 1 0 318.461 2.500 50 0 DEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)c1 ZINC000011956912 401778255 /nfs/dbraw/zinc/77/82/55/401778255.db2.gz LZVFYHACNQXOAM-IBGZPJMESA-N 1 0 318.461 2.484 50 0 DEAARO COc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1OC ZINC000012371364 401783794 /nfs/dbraw/zinc/78/37/94/401783794.db2.gz MACDFWAVJYJFLV-UHFFFAOYSA-N 1 0 305.403 2.237 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cn(C2CCCCCC2)nn1 ZINC000012372742 401784050 /nfs/dbraw/zinc/78/40/50/401784050.db2.gz LCRYPDSELBBSKW-HNNXBMFYSA-N 1 0 319.453 2.340 50 0 DEAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000012420180 401785754 /nfs/dbraw/zinc/78/57/54/401785754.db2.gz BTZOVTNBAOTDQK-HNNXBMFYSA-N 1 0 309.406 2.067 50 0 DEAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012420226 401785779 /nfs/dbraw/zinc/78/57/79/401785779.db2.gz PSRCCGUNGRKLBO-MRXNPFEDSA-N 1 0 323.433 2.457 50 0 DEAARO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000012537658 401787858 /nfs/dbraw/zinc/78/78/58/401787858.db2.gz CTNSQDVVUQFZNO-IAGOWNOFSA-N 1 0 301.386 2.036 50 0 DEAARO CC[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)CC[N@@H+]1C(C)C ZINC000077487873 401817084 /nfs/dbraw/zinc/81/70/84/401817084.db2.gz CMTXOIOKVIDNPX-CQSZACIVSA-N 1 0 308.397 2.405 50 0 DEAARO Cc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)[nH]n1 ZINC000077505772 401818221 /nfs/dbraw/zinc/81/82/21/401818221.db2.gz PVDAFVXUZVGCTP-DOTOQJQBSA-N 1 0 312.417 2.196 50 0 DEAARO CCC[NH+]1CCC(N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000019741569 401823243 /nfs/dbraw/zinc/82/32/43/401823243.db2.gz DXRHJZGRBDOVJI-UHFFFAOYSA-N 1 0 303.450 2.389 50 0 DEAARO CCc1nnsc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000028022757 401849545 /nfs/dbraw/zinc/84/95/45/401849545.db2.gz GXBVWZDVSBEEJN-UHFFFAOYSA-N 1 0 304.419 2.092 50 0 DEAARO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028227228 401850686 /nfs/dbraw/zinc/85/06/86/401850686.db2.gz IJCLQIGYTURSIS-TZMCWYRMSA-N 1 0 308.809 2.414 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000078484375 401852584 /nfs/dbraw/zinc/85/25/84/401852584.db2.gz GVKPYLAXJXNCRN-LLVKDONJSA-N 1 0 304.419 2.352 50 0 DEAARO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1N1CCCC1=O ZINC000078578659 401856627 /nfs/dbraw/zinc/85/66/27/401856627.db2.gz NARNHJQEGUWQDI-UHFFFAOYSA-N 1 0 315.417 2.402 50 0 DEAARO Cn1cncc1C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000116923540 401864406 /nfs/dbraw/zinc/86/44/06/401864406.db2.gz XBWWYIJYERBOTG-GFCCVEGCSA-N 1 0 322.359 2.390 50 0 DEAARO C[C@@H](OCc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000030687926 401865538 /nfs/dbraw/zinc/86/55/38/401865538.db2.gz UTXIDHXEEUTXHZ-CQSZACIVSA-N 1 0 302.418 2.335 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c(OC)c1OC ZINC000030909700 401867121 /nfs/dbraw/zinc/86/71/21/401867121.db2.gz BQXWQFDYUFXZPY-GFCCVEGCSA-N 1 0 305.378 2.087 50 0 DEAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CC3CCOCC3)C2)o1 ZINC000078891881 401868179 /nfs/dbraw/zinc/86/81/79/401868179.db2.gz IWNOLIAVQRBSEU-OAHLLOKOSA-N 1 0 307.438 2.170 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCS(C)(=O)=O ZINC000077371926 401812534 /nfs/dbraw/zinc/81/25/34/401812534.db2.gz XBRKIMFZODNAAE-MRXNPFEDSA-N 1 0 324.490 2.018 50 0 DEAARO Ic1cccc(OC2CC[NH2+]CC2)c1 ZINC000014631910 401812800 /nfs/dbraw/zinc/81/28/00/401812800.db2.gz ANYHKDGHXMOCAC-UHFFFAOYSA-N 1 0 303.143 2.422 50 0 DEAARO CN1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)C1=O ZINC000014969895 401814442 /nfs/dbraw/zinc/81/44/42/401814442.db2.gz WBAMQLCAEIFXCR-IBGZPJMESA-N 1 0 324.428 2.317 50 0 DEAARO O=C(NCCc1ccsc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000040511864 401925615 /nfs/dbraw/zinc/92/56/15/401925615.db2.gz XEAPYEDLACFUEF-UHFFFAOYSA-N 1 0 316.430 2.217 50 0 DEAARO Cc1ccccc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040539071 401925928 /nfs/dbraw/zinc/92/59/28/401925928.db2.gz DPKSAIDQSFLZQR-UHFFFAOYSA-N 1 0 316.445 2.108 50 0 DEAARO CC1(C)C[C@@H]([NH2+]CCNCc2ccc3c(c2)OCO3)CCO1 ZINC000032123838 401876560 /nfs/dbraw/zinc/87/65/60/401876560.db2.gz PIAIRWUOQZBEBC-AWEZNQCLSA-N 1 0 306.406 2.052 50 0 biogenic DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000032269684 401877730 /nfs/dbraw/zinc/87/77/30/401877730.db2.gz QCKIOSNAWILLPT-KRWDZBQOSA-N 1 0 318.461 2.437 50 0 DEAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@H]1NC(C)=NO1 ZINC000032617178 401880594 /nfs/dbraw/zinc/88/05/94/401880594.db2.gz NVYOUAGPQMMOJR-HNNXBMFYSA-N 1 0 307.394 2.241 50 0 DEAARO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(C)[n+]1C ZINC000032739644 401881975 /nfs/dbraw/zinc/88/19/75/401881975.db2.gz HAHHKNKZALIZBE-LLVKDONJSA-N 1 0 303.431 2.248 50 0 DEAARO Nc1nc(Cl)cc(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000032779303 401883176 /nfs/dbraw/zinc/88/31/76/401883176.db2.gz HHDKWKJIOGARLY-UHFFFAOYSA-N 1 0 303.797 2.182 50 0 DEAARO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000032914293 401886101 /nfs/dbraw/zinc/88/61/01/401886101.db2.gz FJZJPCVRACBLGI-BLLLJJGKSA-N 1 0 315.417 2.105 50 0 DEAARO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3c3ccccc3)C2=O)cn1 ZINC000133553491 401890494 /nfs/dbraw/zinc/89/04/94/401890494.db2.gz BXRDBLIVYVPQMK-SQNIBIBYSA-N 1 0 324.428 2.451 50 0 DEAARO O=C(CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1cccc(F)c1 ZINC000089099539 401935408 /nfs/dbraw/zinc/93/54/08/401935408.db2.gz SSOWYENEQPUJEM-JKSUJKDBSA-N 1 0 322.380 2.034 50 0 DEAARO C[NH+](C)CCNC(=O)c1cn2cc(-c3ccccc3)ccc2n1 ZINC000034830992 401894070 /nfs/dbraw/zinc/89/40/70/401894070.db2.gz UOGNFYDPZUYJEK-UHFFFAOYSA-N 1 0 308.385 2.293 50 0 DEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000042907894 401935922 /nfs/dbraw/zinc/93/59/22/401935922.db2.gz AOJZLHYUAYYVDL-HNNXBMFYSA-N 1 0 322.368 2.401 50 0 DEAARO NC(=O)[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000036392647 401905405 /nfs/dbraw/zinc/90/54/05/401905405.db2.gz NPZHSOXZIZKJBG-GOSISDBHSA-N 1 0 320.396 2.231 50 0 DEAARO COC[C@@H](C)[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000084640362 401907976 /nfs/dbraw/zinc/90/79/76/401907976.db2.gz FUKLQNWIGVFOID-LLVKDONJSA-N 1 0 314.227 2.001 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccco2)on1 ZINC000044941912 401951476 /nfs/dbraw/zinc/95/14/76/401951476.db2.gz LAPOVHORYHTNJT-DGCLKSJQSA-N 1 0 301.346 2.291 50 0 DEAARO COC[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044948536 401952134 /nfs/dbraw/zinc/95/21/34/401952134.db2.gz MGOTWXBJTNUDQI-KGLIPLIRSA-N 1 0 309.410 2.141 50 0 DEAARO COC(=O)C[C@H]1CN(c2cc[nH+]c3c(C)cccc23)CCO1 ZINC000089689029 401957531 /nfs/dbraw/zinc/95/75/31/401957531.db2.gz WRIQFSCIRVOUQR-ZDUSSCGKSA-N 1 0 300.358 2.312 50 0 DEAARO CC(C)(CO)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000089761665 401961053 /nfs/dbraw/zinc/96/10/53/401961053.db2.gz OKWWNLJOZNOFGV-OAHLLOKOSA-N 1 0 311.470 2.055 50 0 DEAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 ZINC000089937683 401975086 /nfs/dbraw/zinc/97/50/86/401975086.db2.gz LFWGCERQASXZBZ-NNNHXZLVSA-N 1 0 318.808 2.163 50 0 DEAARO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000090137964 401980024 /nfs/dbraw/zinc/98/00/24/401980024.db2.gz XOMLSEMLTAOEGE-GFCCVEGCSA-N 1 0 312.421 2.060 50 0 DEAARO C[NH+](C)C1(CNC(=O)COCC(F)(F)F)CCCCCC1 ZINC000048353922 401999136 /nfs/dbraw/zinc/99/91/36/401999136.db2.gz IFIVRKWUARJLQS-UHFFFAOYSA-N 1 0 310.360 2.336 50 0 DEAARO Cc1[nH+]c(N)nc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1C ZINC000091474418 401996234 /nfs/dbraw/zinc/99/62/34/401996234.db2.gz AYVKMMBLFYNACT-SFHVURJKSA-N 1 0 324.384 2.290 50 0 DEAARO CCc1c(C)[nH+]c(N)nc1NCC1(Cn2ccnc2C)CC1 ZINC000095354443 402027140 /nfs/dbraw/zinc/02/71/40/402027140.db2.gz KQJRFIMWWHZFDR-UHFFFAOYSA-N 1 0 300.410 2.327 50 0 DEAARO CC(C)C[N@@H+]1CCCC[C@H]1Cc1nc2c([nH]1)C(=O)NCCC2 ZINC000095392211 402031942 /nfs/dbraw/zinc/03/19/42/402031942.db2.gz ZDLCDBWTVOHKRC-ZDUSSCGKSA-N 1 0 304.438 2.139 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)C1 ZINC000095965775 402037878 /nfs/dbraw/zinc/03/78/78/402037878.db2.gz XUGUGRIVUIFKKW-HOTGVXAUSA-N 1 0 311.470 2.175 50 0 DEAARO COc1ccccc1C[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000095968015 402038346 /nfs/dbraw/zinc/03/83/46/402038346.db2.gz OQPUQKATWNPZGW-HNNXBMFYSA-N 1 0 306.450 2.327 50 0 DEAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000053813021 402060154 /nfs/dbraw/zinc/06/01/54/402060154.db2.gz NZGIIXXXPGFKGN-UHFFFAOYSA-N 1 0 309.413 2.416 50 0 DEAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000095973578 402039788 /nfs/dbraw/zinc/03/97/88/402039788.db2.gz ZIODFZMKTBWMGZ-FUHWJXTLSA-N 1 0 305.418 2.338 50 0 DEAARO CCC(CC)C(=O)N1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000052473004 402042870 /nfs/dbraw/zinc/04/28/70/402042870.db2.gz GMWVEFWUWGWAEJ-UHFFFAOYSA-N 1 0 305.426 2.206 50 0 DEAARO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCNC1=O)C(C)(C)C ZINC000095985506 402042905 /nfs/dbraw/zinc/04/29/05/402042905.db2.gz RXVPCNLDMLTRIY-OAHLLOKOSA-N 1 0 303.406 2.224 50 0 DEAARO C[C@H](O)CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096010136 402046896 /nfs/dbraw/zinc/04/68/96/402046896.db2.gz MKRNXIFUCYVEHW-VIFPVBQESA-N 1 0 315.204 2.435 50 0 DEAARO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(C(C)(C)C)no1 ZINC000096012432 402047415 /nfs/dbraw/zinc/04/74/15/402047415.db2.gz NWAKGOBCUCUFJI-NSHDSACASA-N 1 0 308.426 2.276 50 0 DEAARO C[NH2+]CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000048784589 402008102 /nfs/dbraw/zinc/00/81/02/402008102.db2.gz BCLCRIPSWYODFR-UHFFFAOYSA-N 1 0 301.356 2.437 50 0 DEAARO C[NH+](C)CCn1cc(NC(=O)/C=C\c2c(F)cccc2F)cn1 ZINC000096257404 402075412 /nfs/dbraw/zinc/07/54/12/402075412.db2.gz SJZOCROBKOZSOA-SREVYHEPSA-N 1 0 320.343 2.375 50 0 DEAARO COC[C@@H]([NH2+]Cc1c(C)cc(C)c(CO)c1C)c1ccnn1C ZINC000055089905 402075546 /nfs/dbraw/zinc/07/55/46/402075546.db2.gz CRXPWPMLPZRUDS-QGZVFWFLSA-N 1 0 317.433 2.315 50 0 DEAARO CC[NH+]1CCN(c2ncnc(-c3ccccc3F)c2N)CC1 ZINC000096281997 402076097 /nfs/dbraw/zinc/07/60/97/402076097.db2.gz HQUTVSLDQAFLQT-UHFFFAOYSA-N 1 0 301.369 2.007 50 0 DEAARO CC[C@H](C(=O)Nc1cc(Br)ccc1O)[NH+](C)C ZINC000152130839 402077228 /nfs/dbraw/zinc/07/72/28/402077228.db2.gz FEXXRHUGAKACKP-SNVBAGLBSA-N 1 0 301.184 2.433 50 0 DEAARO CCc1ncncc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096409080 402079477 /nfs/dbraw/zinc/07/94/77/402079477.db2.gz XULJGCXJJYLXNT-OAHLLOKOSA-N 1 0 311.385 2.470 50 0 DEAARO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000096421788 402083259 /nfs/dbraw/zinc/08/32/59/402083259.db2.gz DMAHSPSVYCMKQC-IRXDYDNUSA-N 1 0 305.418 2.447 50 0 DEAARO c1nc2ncnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)c2[nH]1 ZINC000096456180 402091347 /nfs/dbraw/zinc/09/13/47/402091347.db2.gz JXVAUZBQECTXHN-CQSZACIVSA-N 1 0 314.437 2.445 50 0 DEAARO COC(=O)C1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000096489094 402095906 /nfs/dbraw/zinc/09/59/06/402095906.db2.gz NTCKNNKEFCXWIZ-UHFFFAOYSA-N 1 0 324.465 2.487 50 0 DEAARO Cc1cnccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096489258 402096099 /nfs/dbraw/zinc/09/60/99/402096099.db2.gz NKDDEQSHEKQKST-ZIAGYGMSSA-N 1 0 306.410 2.011 50 0 DEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000096494394 402096408 /nfs/dbraw/zinc/09/64/08/402096408.db2.gz AKSIWQAFLHCOEM-INIZCTEOSA-N 1 0 320.400 2.235 50 0 DEAARO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000096500888 402097323 /nfs/dbraw/zinc/09/73/23/402097323.db2.gz VMPIORJPPBLJGD-LJQANCHMSA-N 1 0 324.424 2.492 50 0 DEAARO C[C@@H]1CCCCN1c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000058265078 402099770 /nfs/dbraw/zinc/09/97/70/402099770.db2.gz LGLYKUCWIPBZKP-ZBFHGGJFSA-N 1 0 316.449 2.284 50 0 DEAARO CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000058368493 402100624 /nfs/dbraw/zinc/10/06/24/402100624.db2.gz HCPGEAIPQKOQGR-OAHLLOKOSA-N 1 0 310.463 2.402 50 0 DEAARO C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000097164422 402113237 /nfs/dbraw/zinc/11/32/37/402113237.db2.gz KLUJDJXYVWULPU-UKRRQHHQSA-N 1 0 322.453 2.340 50 0 DEAARO C[C@@H](Cc1cnccn1)NC(=O)CC[NH+]1CCCCCCC1 ZINC000063833577 402115627 /nfs/dbraw/zinc/11/56/27/402115627.db2.gz HLQMGYIDXKUOFA-HNNXBMFYSA-N 1 0 304.438 2.180 50 0 DEAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200621 402116207 /nfs/dbraw/zinc/11/62/07/402116207.db2.gz KTWRCNKIJSTWAS-PBHICJAKSA-N 1 0 310.401 2.042 50 0 DEAARO Cc1cc(NC[C@H](C)n2cncn2)nc(N2CCCCC2)[nH+]1 ZINC000065455909 402124474 /nfs/dbraw/zinc/12/44/74/402124474.db2.gz MBYWSMIVYASNKX-ZDUSSCGKSA-N 1 0 301.398 2.040 50 0 DEAARO O=c1n(CC[NH2+]Cc2ccc3ccccc3c2)nc2ccccn21 ZINC000065976438 402128867 /nfs/dbraw/zinc/12/88/67/402128867.db2.gz OMGMJIANNJGOPZ-UHFFFAOYSA-N 1 0 318.380 2.439 50 0 DEAARO COc1ccc(/C=C/CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000097758076 402132621 /nfs/dbraw/zinc/13/26/21/402132621.db2.gz MBKNUZRGGVQVAF-WLMAVBAVSA-N 1 0 316.445 2.239 50 0 DEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)C(CC)CC)CC2)n1 ZINC000065362055 402124131 /nfs/dbraw/zinc/12/41/31/402124131.db2.gz DIQRMOIJCDDEPZ-UHFFFAOYSA-N 1 0 319.453 2.302 50 0 DEAARO Cc1cc(Br)oc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000097402746 402124371 /nfs/dbraw/zinc/12/43/71/402124371.db2.gz IUKLGFZVGOTNCF-UHFFFAOYSA-N 1 0 301.184 2.128 50 0 DEAARO COc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1OC ZINC000066948253 402147375 /nfs/dbraw/zinc/14/73/75/402147375.db2.gz FJOCGTUSLYEJLU-CQSZACIVSA-N 1 0 306.406 2.260 50 0 DEAARO C[C@@H]1C[NH2+]CCN1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067921376 402178740 /nfs/dbraw/zinc/17/87/40/402178740.db2.gz JQBFYQKJXLMPAJ-CQSZACIVSA-N 1 0 307.401 2.190 50 0 DEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2nn(C)c3ccc(C)cc32)C1 ZINC000067948005 402179941 /nfs/dbraw/zinc/17/99/41/402179941.db2.gz SHUQGAJEQPYTIE-AWEZNQCLSA-N 1 0 314.433 2.343 50 0 DEAARO CCc1ccccc1C[N@@H+]1CC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000067947564 402180031 /nfs/dbraw/zinc/18/00/31/402180031.db2.gz ULCNAFCKMWIIHC-HNNXBMFYSA-N 1 0 324.490 2.399 50 0 DEAARO Cc1nc(C)n(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000067974118 402181130 /nfs/dbraw/zinc/18/11/30/402181130.db2.gz JQKKWSAVGZFDSH-GOSISDBHSA-N 1 0 313.449 2.149 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@H](C)[NH2+]1 ZINC000154080016 402191093 /nfs/dbraw/zinc/19/10/93/402191093.db2.gz FKKGSGHJWOOREW-DTORHVGOSA-N 1 0 315.186 2.411 50 0 DEAARO Cc1[nH+]c(N(C)C)nc(N(C)Cc2cc(C3CC3)n[nH]2)c1C ZINC000067673162 402167089 /nfs/dbraw/zinc/16/70/89/402167089.db2.gz MEMKHVOYQLWGJE-UHFFFAOYSA-N 1 0 300.410 2.396 50 0 DEAARO CCc1cc(NCc2cccnc2-n2ccnc2)nc(N(C)C)[nH+]1 ZINC000067676412 402167154 /nfs/dbraw/zinc/16/71/54/402167154.db2.gz YZMXMSSTJYFSNO-UHFFFAOYSA-N 1 0 323.404 2.298 50 0 DEAARO C[NH2+][C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067676566 402167259 /nfs/dbraw/zinc/16/72/59/402167259.db2.gz CLGFKKNRRTVDHS-JTQLQIEISA-N 1 0 321.327 2.376 50 0 DEAARO Cc1nccn1-c1ccccc1CNc1cc(C[NH3+])nc(C)n1 ZINC000067689110 402167890 /nfs/dbraw/zinc/16/78/90/402167890.db2.gz MPPBGBQIBSKKNS-UHFFFAOYSA-N 1 0 308.389 2.350 50 0 DEAARO CCNC(=O)c1ccc(N2CCCC3(CC[NH2+]CC3)CC2)nc1 ZINC000067727166 402170759 /nfs/dbraw/zinc/17/07/59/402170759.db2.gz JDKMJDYVUSPQIT-UHFFFAOYSA-N 1 0 316.449 2.191 50 0 DEAARO CC[NH+]1CCC(CNS(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000067757384 402171590 /nfs/dbraw/zinc/17/15/90/402171590.db2.gz KWMYXFLOKGKWLC-UHFFFAOYSA-N 1 0 322.430 2.443 50 0 DEAARO c1ccc(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)nc1 ZINC000067790778 402173220 /nfs/dbraw/zinc/17/32/20/402173220.db2.gz BMCPEOLFSATEJQ-UHFFFAOYSA-N 1 0 318.384 2.191 50 0 DEAARO Cc1ncsc1CCN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000067818408 402173596 /nfs/dbraw/zinc/17/35/96/402173596.db2.gz QZHWYZSIEGMILX-OAHLLOKOSA-N 1 0 315.442 2.167 50 0 DEAARO CCc1ncc2c(n1)CN(C(=O)C1([NH+]3CCCC3)CCCC1)C2 ZINC000067843049 402174740 /nfs/dbraw/zinc/17/47/40/402174740.db2.gz WKTJGRFUVARPPI-UHFFFAOYSA-N 1 0 314.433 2.290 50 0 DEAARO C[NH2+]Cc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000067851451 402175642 /nfs/dbraw/zinc/17/56/42/402175642.db2.gz KHMJLIFNJMDJCT-UHFFFAOYSA-N 1 0 305.399 2.485 50 0 DEAARO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)COCc1cccs1 ZINC000069150541 402214937 /nfs/dbraw/zinc/21/49/37/402214937.db2.gz QBUOXFKYGMGUOS-CYBMUJFWSA-N 1 0 310.419 2.362 50 0 DEAARO CCCNC(=O)C1([NH2+]Cc2nc(C)ccc2O)CCCCC1 ZINC000154524832 402216279 /nfs/dbraw/zinc/21/62/79/402216279.db2.gz UZMWDZFCKOACEM-UHFFFAOYSA-N 1 0 305.422 2.414 50 0 DEAARO CC1CC[NH+](C[C@H](O)CNc2nnc(C(F)(F)F)s2)CC1 ZINC000154532099 402216920 /nfs/dbraw/zinc/21/69/20/402216920.db2.gz OTLUDDUCWOHXLV-SECBINFHSA-N 1 0 324.372 2.062 50 0 DEAARO CC1CCC([NH+]2CCC(N(C)CCS(C)(=O)=O)CC2)CC1 ZINC000069420218 402222872 /nfs/dbraw/zinc/22/28/72/402222872.db2.gz DNRJMZKBSAZPOJ-UHFFFAOYSA-N 1 0 316.511 2.006 50 0 DEAARO c1cc2n(n1)C[C@H](C[NH2+]C[C@H]1CCN(c3ccccc3)C1)CN2 ZINC000069490368 402226335 /nfs/dbraw/zinc/22/63/35/402226335.db2.gz NVNAANUVDAYOEL-HZPDHXFCSA-N 1 0 311.433 2.041 50 0 DEAARO C[C@H](CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)[NH+](C)C ZINC000069509341 402227774 /nfs/dbraw/zinc/22/77/74/402227774.db2.gz DDQKSFXGFPALFT-GFCCVEGCSA-N 1 0 315.421 2.226 50 0 DEAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)nc2)C1 ZINC000069565669 402231268 /nfs/dbraw/zinc/23/12/68/402231268.db2.gz MBMVBBPCSILGPI-CYBMUJFWSA-N 1 0 302.422 2.116 50 0 DEAARO CC(C)N1C[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)CC1=O ZINC000069739301 402241763 /nfs/dbraw/zinc/24/17/63/402241763.db2.gz HKVBRGIGDOBBFF-INIZCTEOSA-N 1 0 323.481 2.016 50 0 DEAARO CC[C@H]1CN(c2ncnc3ccccc32)CC[N@@H+]1CCOC ZINC000069739254 402241895 /nfs/dbraw/zinc/24/18/95/402241895.db2.gz BYUNIKOSTGRXBN-AWEZNQCLSA-N 1 0 300.406 2.177 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH]nc1-c1cccc(C)c1)CC2 ZINC000069772995 402243216 /nfs/dbraw/zinc/24/32/16/402243216.db2.gz KJYOIIKXSWCENW-MRXNPFEDSA-N 1 0 322.416 2.390 50 0 DEAARO CCn1nc(C)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC000069776701 402243929 /nfs/dbraw/zinc/24/39/29/402243929.db2.gz JZTXNVPXIFGYCH-GJZGRUSLSA-N 1 0 304.438 2.300 50 0 DEAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000069815204 402245861 /nfs/dbraw/zinc/24/58/61/402245861.db2.gz DIHSGNHNBYEROC-HOTGVXAUSA-N 1 0 302.422 2.150 50 0 DEAARO O=[S@](CC[NH2+]Cc1cccc2c1OCO2)Cc1ccccc1 ZINC000069846000 402246933 /nfs/dbraw/zinc/24/69/33/402246933.db2.gz BZPZYXNVLQFKGZ-QFIPXVFZSA-N 1 0 317.410 2.454 50 0 DEAARO C[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069872619 402248210 /nfs/dbraw/zinc/24/82/10/402248210.db2.gz ADAXCTHVPNQCMM-APWZRJJASA-N 1 0 311.429 2.321 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 ZINC000069872149 402248483 /nfs/dbraw/zinc/24/84/83/402248483.db2.gz LDSAASRJMSNETF-SJORKVTESA-N 1 0 301.434 2.408 50 0 DEAARO C[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000070075850 402256435 /nfs/dbraw/zinc/25/64/35/402256435.db2.gz RAPAPGCYMXDHGY-QWRGUYRKSA-N 1 0 300.324 2.457 50 0 DEAARO CCc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)[nH]c(C)c1C(C)=O ZINC000070854967 402265650 /nfs/dbraw/zinc/26/56/50/402265650.db2.gz 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CCc1nccc(CN2CCCO[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000215224259 402281774 /nfs/dbraw/zinc/28/17/74/402281774.db2.gz YTOCSYQNRFFRGE-QGZVFWFLSA-N 1 0 318.465 2.116 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000071825273 402283477 /nfs/dbraw/zinc/28/34/77/402283477.db2.gz ZWYDCCAAPFNBQQ-OAHLLOKOSA-N 1 0 300.406 2.269 50 0 DEAARO O=C(Cc1cccc2cccnc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839847 402286953 /nfs/dbraw/zinc/28/69/53/402286953.db2.gz PXOGDPQKDMGGFA-KRWDZBQOSA-N 1 0 309.413 2.474 50 0 DEAARO CCCCC(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000071853427 402288288 /nfs/dbraw/zinc/28/82/88/402288288.db2.gz WVSPTXUYCNZYNP-UHFFFAOYSA-N 1 0 308.422 2.442 50 0 DEAARO CCc1nccc(CN2CCC([C@@H](O)c3ccccn3)CC2)n1 ZINC000216541124 402289361 /nfs/dbraw/zinc/28/93/61/402289361.db2.gz DPCXDCUTTYKYHG-GOSISDBHSA-N 1 0 312.417 2.380 50 0 DEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNc3ncncn3)O2)CC1 ZINC000219195365 402297744 /nfs/dbraw/zinc/29/77/44/402297744.db2.gz FFCWPWFSKWULKY-HNNXBMFYSA-N 1 0 317.437 2.263 50 0 DEAARO C[N@@H+]1CC[C@](C)(CNC(=O)CCCOCc2ccccc2)C1 ZINC000219249650 402298132 /nfs/dbraw/zinc/29/81/32/402298132.db2.gz TYCBQSCXOXCGQA-GOSISDBHSA-N 1 0 304.434 2.441 50 0 DEAARO CN(Cc1cnc2ccccc2n1)C(=O)C[NH+]1CCCCCC1 ZINC000220635579 402301770 /nfs/dbraw/zinc/30/17/70/402301770.db2.gz HRRHVOIYFZAXSF-UHFFFAOYSA-N 1 0 312.417 2.464 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](OCC(C)C)C2)C1 ZINC000221871354 402305169 /nfs/dbraw/zinc/30/51/69/402305169.db2.gz XUGUGRIVUIFKKW-HZPDHXFCSA-N 1 0 311.470 2.175 50 0 DEAARO CCOC(=O)[C@@H](C(C)C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000222201615 402306159 /nfs/dbraw/zinc/30/61/59/402306159.db2.gz PTGKAAZKMIHJFE-LSDHHAIUSA-N 1 0 312.454 2.058 50 0 DEAARO OC1CC[NH+](Cc2cccc(OCCCn3ccnc3)c2)CC1 ZINC000222282222 402306727 /nfs/dbraw/zinc/30/67/27/402306727.db2.gz UKLCAPWXMOQODO-UHFFFAOYSA-N 1 0 315.417 2.309 50 0 DEAARO OC1CC(c2cc(N3CC[NH+](C4CCCCC4)CC3)ncn2)C1 ZINC000222890700 402308447 /nfs/dbraw/zinc/30/84/47/402308447.db2.gz 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C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H](C)N1CC1CCOCC1 ZINC000187111974 402483049 /nfs/dbraw/zinc/48/30/49/402483049.db2.gz DNJWMKHDFFASAJ-IYBDPMFKSA-N 1 0 310.482 2.234 50 0 DEAARO COCC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000170077821 402502860 /nfs/dbraw/zinc/50/28/60/402502860.db2.gz QPONBPPSGXCJNB-HZPDHXFCSA-N 1 0 311.447 2.316 50 0 DEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]c2c1CCCC2 ZINC000170613675 402507988 /nfs/dbraw/zinc/50/79/88/402507988.db2.gz OUDKAHUINJKWAO-BBRMVZONSA-N 1 0 316.449 2.283 50 0 DEAARO CCc1c(Cl)nc(C)nc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000170642832 402509658 /nfs/dbraw/zinc/50/96/58/402509658.db2.gz JICOLDLNOMPGMR-NSHDSACASA-N 1 0 311.861 2.049 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000247129900 402557913 /nfs/dbraw/zinc/55/79/13/402557913.db2.gz NOLNCLNPNJDJHW-LXZKKBNFSA-N 1 0 302.418 2.276 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000178984948 402562102 /nfs/dbraw/zinc/56/21/02/402562102.db2.gz TVHDTUIFPYYOEI-SNVBAGLBSA-N 1 0 317.216 2.440 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2OC)C1 ZINC000179004314 402563978 /nfs/dbraw/zinc/56/39/78/402563978.db2.gz IENPJKVMAXFMNF-UXONFWTHSA-N 1 0 308.809 2.430 50 0 DEAARO CN(C(=O)/C=C/c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000179087298 402571924 /nfs/dbraw/zinc/57/19/24/402571924.db2.gz HQJDSIINEMUZEM-SYTKJHMZSA-N 1 0 309.207 2.283 50 0 DEAARO C[C@H]1C[N@H+](CCSc2ccccc2)C[C@H]1N1CCOCC1 ZINC000246481209 402532967 /nfs/dbraw/zinc/53/29/67/402532967.db2.gz OSIRDVOEJJKGLI-DOTOQJQBSA-N 1 0 306.475 2.431 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@H]3CCCCO3)C2)nn1 ZINC000248108975 402582615 /nfs/dbraw/zinc/58/26/15/402582615.db2.gz JRRJMLLAOXJPFG-HZPDHXFCSA-N 1 0 304.438 2.255 50 0 DEAARO CC[N@@H+]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCc1ccsc1 ZINC000252503754 402657293 /nfs/dbraw/zinc/65/72/93/402657293.db2.gz VGPPIJNQOQLLFG-HUUCEWRRSA-N 1 0 308.447 2.002 50 0 DEAARO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000192078958 402709992 /nfs/dbraw/zinc/70/99/92/402709992.db2.gz BJMPCMUFCGRQKS-HYVNUMGLSA-N 1 0 300.402 2.441 50 0 DEAARO C[C@@H]1C[NH2+]C[C@@H]1c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1 ZINC000261361189 402713135 /nfs/dbraw/zinc/71/31/35/402713135.db2.gz YISSUBBDJNZCAF-KOLCDFICSA-N 1 0 301.394 2.049 50 0 DEAARO CN(CC(=O)Nc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191901472 402697645 /nfs/dbraw/zinc/69/76/45/402697645.db2.gz JTOCRAMBSNFQSL-AWEZNQCLSA-N 1 0 302.374 2.043 50 0 DEAARO CCn1cc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000257180875 402700665 /nfs/dbraw/zinc/70/06/65/402700665.db2.gz DYPNRTLQPFUHRP-SJORKVTESA-N 1 0 318.465 2.482 50 0 DEAARO Cc1occc1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@]2(CO)C1 ZINC000257176982 402700810 /nfs/dbraw/zinc/70/08/10/402700810.db2.gz VKIPBOUZYWXJFL-MAUKXSAKSA-N 1 0 320.433 2.000 50 0 DEAARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cccc(-n2cccn2)c1 ZINC000195543564 402850888 /nfs/dbraw/zinc/85/08/88/402850888.db2.gz NEJUHHUKFCLXEQ-ALOPSCKCSA-N 1 0 324.428 2.409 50 0 DEAARO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000195558493 402851022 /nfs/dbraw/zinc/85/10/22/402851022.db2.gz DGRISPGISYBDGT-ZIAGYGMSSA-N 1 0 323.441 2.046 50 0 DEAARO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000264610244 402890760 /nfs/dbraw/zinc/89/07/60/402890760.db2.gz HSCMFVJFQKSUFK-NNNHXZLVSA-N 1 0 301.415 2.377 50 0 DEAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000269266264 403125985 /nfs/dbraw/zinc/12/59/85/403125985.db2.gz UKYBDUHMICNEEU-GJZGRUSLSA-N 1 0 322.836 2.252 50 0 DEAARO Cc1ncc2c(c1CNC(=O)/C=C/c1ccccc1)CC[NH2+]C2 ZINC000299760970 403567938 /nfs/dbraw/zinc/56/79/38/403567938.db2.gz PZLFEDFEQZXYAM-BQYQJAHWSA-N 1 0 307.397 2.365 50 0 DEAARO C[N@H+](CC(=O)NCc1ccccc1-n1cccn1)C1CCCC1 ZINC000299790447 403575712 /nfs/dbraw/zinc/57/57/12/403575712.db2.gz CAFGBTNHWKKJOZ-UHFFFAOYSA-N 1 0 312.417 2.363 50 0 DEAARO O=C(Cc1ccc2c[nH]nc2c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333850036 403883300 /nfs/dbraw/zinc/88/33/00/403883300.db2.gz PXBMOAJXLWDPIS-RDJZCZTQSA-N 1 0 312.417 2.096 50 0 DEAARO COC(CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000364603160 404465539 /nfs/dbraw/zinc/46/55/39/404465539.db2.gz RVXRKNOYJJOLHM-SJORKVTESA-N 1 0 304.434 2.344 50 0 DEAARO O=C(NCCCc1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416792521 404912461 /nfs/dbraw/zinc/91/24/61/404912461.db2.gz CFIKVUDKKMSEKW-SFHVURJKSA-N 1 0 301.434 2.404 50 0 DEAARO Cc1cccc2cc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)oc21 ZINC000426371895 405355363 /nfs/dbraw/zinc/35/53/63/405355363.db2.gz AETIXGMVPDYWDW-GJZGRUSLSA-N 1 0 314.385 2.022 50 0 DEAARO c1ccc(COc2ccccc2CN2C[C@@H]3[NH2+]CCO[C@H]3C2)cc1 ZINC000426528109 405367014 /nfs/dbraw/zinc/36/70/14/405367014.db2.gz VOJWUGYHJOYVGE-ICSRJNTNSA-N 1 0 324.424 2.438 50 0 DEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccsc3)cc2C1 ZINC000426667290 405373251 /nfs/dbraw/zinc/37/32/51/405373251.db2.gz ATUOXLZLPKBORT-UHFFFAOYSA-N 1 0 318.446 2.490 50 0 DEAARO CC(C)n1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)n1 ZINC000528640629 405693341 /nfs/dbraw/zinc/69/33/41/405693341.db2.gz PCXDWTWTSPGAGI-MRXNPFEDSA-N 1 0 307.438 2.218 50 0 DEAARO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000528642569 405694972 /nfs/dbraw/zinc/69/49/72/405694972.db2.gz ZBNIEESOBZNONK-IAGOWNOFSA-N 1 0 323.408 2.113 50 0 DEAARO COC(=O)c1cc(CN[C@H](C)[C@H](c2ccccc2)[NH+](C)C)on1 ZINC000583651440 405780445 /nfs/dbraw/zinc/78/04/45/405780445.db2.gz NDHWZZMMZAMSEF-MLGOLLRUSA-N 1 0 317.389 2.242 50 0 DEAARO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000585120907 405871891 /nfs/dbraw/zinc/87/18/91/405871891.db2.gz VPUVQMCYYDWQLO-CQSZACIVSA-N 1 0 312.417 2.455 50 0 DEAARO COCc1ncc(C)n1C1CCN(C(=O)c2ccoc2)CC1 ZINC000575548360 406812478 /nfs/dbraw/zinc/81/24/78/406812478.db2.gz CXJKGGHAHPBCAB-UHFFFAOYSA-N 1 0 303.362 2.408 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000132421903 196254677 /nfs/dbraw/zinc/25/46/77/196254677.db2.gz YEKZSSQMKSJLJM-LBPRGKRZSA-N 1 0 309.207 2.040 50 0 DEAARO Cc1nc(C)c(CCNC(=O)C2CC[NH+](C3CC3)CC2)s1 ZINC000194588487 225183645 /nfs/dbraw/zinc/18/36/45/225183645.db2.gz ZGFMWWZVJBEJPW-UHFFFAOYSA-N 1 0 307.463 2.293 50 0 DEAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000245339279 225218693 /nfs/dbraw/zinc/21/86/93/225218693.db2.gz RQYVGAHFIUUQAZ-IIAWOOMASA-N 1 0 322.474 2.414 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000048375441 424832524 /nfs/dbraw/zinc/83/25/24/424832524.db2.gz FZFYJAJGGNOSJT-UHFFFAOYSA-N 1 0 324.432 2.473 50 0 DEAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(F)c2)C1 ZINC000045744786 424817623 /nfs/dbraw/zinc/81/76/23/424817623.db2.gz CUMJHPODYCAEGH-ZDUSSCGKSA-N 1 0 314.426 2.226 50 0 DEAARO COc1cc(C[NH2+]Cc2ccc(C)nc2)cc2c1OCCO2 ZINC000047825995 424828139 /nfs/dbraw/zinc/82/81/39/424828139.db2.gz UQLLEQMZZUWYTN-UHFFFAOYSA-N 1 0 300.358 2.460 50 0 DEAARO COc1ccc([C@H](O)C[NH2+]Cc2cn(C)nc2C(C)C)cc1 ZINC000048710155 424834964 /nfs/dbraw/zinc/83/49/64/424834964.db2.gz XKEIEGLNDCYMTF-MRXNPFEDSA-N 1 0 303.406 2.375 50 0 DEAARO CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000048781931 424835508 /nfs/dbraw/zinc/83/55/08/424835508.db2.gz ODSISYNNDJJMGV-UHFFFAOYSA-N 1 0 320.339 2.379 50 0 DEAARO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000101277884 424846480 /nfs/dbraw/zinc/84/64/80/424846480.db2.gz FMILDTUHEMBMMC-RYQLBKOJSA-N 1 0 312.413 2.271 50 0 DEAARO Cc1ccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]2CCCO2)o1 ZINC000104972739 424849053 /nfs/dbraw/zinc/84/90/53/424849053.db2.gz KCSMKIOAAXHAOW-CVEARBPZSA-N 1 0 311.422 2.355 50 0 DEAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1nc(C)no1 ZINC000107323581 424850177 /nfs/dbraw/zinc/85/01/77/424850177.db2.gz LXZYRGKRKJKJQH-QKCSRTOESA-N 1 0 306.410 2.066 50 0 DEAARO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCCn3ccnc31)CC2 ZINC000655743686 425643948 /nfs/dbraw/zinc/64/39/48/425643948.db2.gz KDGDDYXJDQQNRP-CHWSQXEVSA-N 1 0 300.410 2.038 50 0 DEAARO CCCOCC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082109444 276018948 /nfs/dbraw/zinc/01/89/48/276018948.db2.gz LUJXDHDJZGPERT-UHFFFAOYSA-N 1 0 303.406 2.312 50 0 DEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnsn2)[C@H]1c1cccs1 ZINC000247412559 277073857 /nfs/dbraw/zinc/07/38/57/277073857.db2.gz NILKWJARXKZRNY-MFKMUULPSA-N 1 0 322.459 2.413 50 0 DEAARO COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000089922700 277206742 /nfs/dbraw/zinc/20/67/42/277206742.db2.gz GJORGTWRGADFIB-LSDHHAIUSA-N 1 0 311.470 2.317 50 0 DEAARO CNC(=O)CN1CCC([NH2+]Cc2c(C)cc(Cl)cc2C)CC1 ZINC000095441221 277228967 /nfs/dbraw/zinc/22/89/67/277228967.db2.gz HCSNPRNQDHTDAC-UHFFFAOYSA-N 1 0 323.868 2.257 50 0 DEAARO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 ZINC000069951288 277619830 /nfs/dbraw/zinc/61/98/30/277619830.db2.gz VFUHPACGHFQOEK-HUUCEWRRSA-N 1 0 321.446 2.286 50 0 DEAARO COc1cc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)cc2c1OCO2 ZINC000069418484 277818701 /nfs/dbraw/zinc/81/87/01/277818701.db2.gz ITEDMYYHITYBAV-NWDGAFQWSA-N 1 0 303.362 2.360 50 0 DEAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004280274 278201254 /nfs/dbraw/zinc/20/12/54/278201254.db2.gz DDRZTQYNAAAJIL-MRXNPFEDSA-N 1 0 306.406 2.117 50 0 DEAARO C[C@H](Cc1cnccn1)[N@H+](C)CCC(=O)NCc1cccs1 ZINC000252505734 279384351 /nfs/dbraw/zinc/38/43/51/279384351.db2.gz VTJCJOYDEVUZNR-CYBMUJFWSA-N 1 0 318.446 2.107 50 0 DEAARO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)NC(N)=O ZINC000058209692 288162817 /nfs/dbraw/zinc/16/28/17/288162817.db2.gz JUAAMOIEKHZJIT-CABCVRRESA-N 1 0 303.406 2.230 50 0 DEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000069512220 281365677 /nfs/dbraw/zinc/36/56/77/281365677.db2.gz FOFVXRDXXYNLNE-MRXNPFEDSA-N 1 0 302.418 2.033 50 0 DEAARO C[C@H](CN1CCOCC1)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192758890 298646370 /nfs/dbraw/zinc/64/63/70/298646370.db2.gz NBQPFWUNUXHQFS-ZIFCJYIRSA-N 1 0 318.461 2.465 50 0 DEAARO Fc1ccc([C@@]2(C[N@@H+]3CCc4nc[nH]c4C3)CCOC2)cc1 ZINC000095368244 303131581 /nfs/dbraw/zinc/13/15/81/303131581.db2.gz LJXNQJTXYVQTAE-QGZVFWFLSA-N 1 0 301.365 2.265 50 0 DEAARO O=C(c1c[nH]nc1-c1ccsc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000188980323 333059850 /nfs/dbraw/zinc/05/98/50/333059850.db2.gz FWJXDBXIMSUJTG-CYBMUJFWSA-N 1 0 316.430 2.449 50 0 DEAARO Cc1cccc(F)c1C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000534588919 334293328 /nfs/dbraw/zinc/29/33/28/334293328.db2.gz LUVCOHNSYBJDEW-GJZGRUSLSA-N 1 0 306.381 2.117 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)CC2 ZINC000097098919 337382189 /nfs/dbraw/zinc/38/21/89/337382189.db2.gz HOSAAMJLDIMNTJ-ZNMIVQPWSA-N 1 0 304.438 2.321 50 0 DEAARO CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)C(F)F ZINC000349697651 534322843 /nfs/dbraw/zinc/32/28/43/534322843.db2.gz XMQCGKPPFZTZBA-UHFFFAOYSA-N 1 0 318.408 2.429 50 0 DEAARO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc2c(c1)CCCN2 ZINC000332513236 528945591 /nfs/dbraw/zinc/94/55/91/528945591.db2.gz VVBSMEHPQWFJNC-MRXNPFEDSA-N 1 0 301.434 2.439 50 0 DEAARO CC[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000241693869 528983832 /nfs/dbraw/zinc/98/38/32/528983832.db2.gz QIKRVBKPCNWHMZ-BZUAXINKSA-N 1 0 321.465 2.118 50 0 DEAARO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000299738950 563938556 /nfs/dbraw/zinc/93/85/56/563938556.db2.gz ISZLMNGRRCZESC-OIISXLGYSA-N 1 0 302.418 2.270 50 0 DEAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1 ZINC000102331716 625437909 /nfs/dbraw/zinc/43/79/09/625437909.db2.gz MFBVNSZACIZWAG-UHFFFAOYSA-N 1 0 319.453 2.216 50 0 DEAARO CC(=O)N1CC[C@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]2CC1 ZINC000946418720 634047539 /nfs/dbraw/zinc/04/75/39/634047539.db2.gz HYXDJPXBJWXXQE-GASCZTMLSA-N 1 0 307.463 2.450 50 0 DEAARO COC[C@H](C)N1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(OC)c1 ZINC000011787249 635772576 /nfs/dbraw/zinc/77/25/76/635772576.db2.gz XETHVPWFFYYXIG-GOEBONIOSA-N 1 0 320.433 2.201 50 0 DEAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1cnccn1 ZINC000012471338 636054393 /nfs/dbraw/zinc/05/43/93/636054393.db2.gz OJFVXMPZGZFWMF-OAHLLOKOSA-N 1 0 302.422 2.251 50 0 DEAARO Cc1ncccc1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426563206 636362665 /nfs/dbraw/zinc/36/26/65/636362665.db2.gz UWSSFVQWRUSFFF-UHFFFAOYSA-N 1 0 303.435 2.278 50 0 DEAARO O=c1c2cc(Br)ccc2ncn1[C@H]1CCC[NH2+]C1 ZINC000258245796 636422449 /nfs/dbraw/zinc/42/24/49/636422449.db2.gz QHIFWYRNNWOXRJ-JTQLQIEISA-N 1 0 308.179 2.084 50 0 DEAARO COc1cc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)on1 ZINC000820815506 647923809 /nfs/dbraw/zinc/92/38/09/647923809.db2.gz TWKLCUHGDRPCTI-JTQLQIEISA-N 1 0 309.391 2.215 50 0 DEAARO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)c3cncs3)C2)n1 ZINC000067966718 683925672 /nfs/dbraw/zinc/92/56/72/683925672.db2.gz YMTNUUQNWTVXLQ-CYBMUJFWSA-N 1 0 316.430 2.098 50 0 DEAARO c1ncn2c1CN(Cc1cnc(-c3ccccn3)nc1)CCC2 ZINC000072150617 683927220 /nfs/dbraw/zinc/92/72/20/683927220.db2.gz JJIDSQWHVVEBQD-UHFFFAOYSA-N 1 0 306.373 2.141 50 0 DEAARO COc1ccc(C(=O)N2CCC(CC3CC3)([NH+](C)C)CC2)cn1 ZINC000581811051 784787808 /nfs/dbraw/zinc/78/78/08/784787808.db2.gz MLQLUOHSKGFKEO-UHFFFAOYSA-N 1 0 317.433 2.427 50 0 DEAARO CC[C@@H](CO)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000584908795 789635170 /nfs/dbraw/zinc/63/51/70/789635170.db2.gz DPXHIMNXXJZTIZ-WBVHZDCISA-N 1 0 304.434 2.128 50 0 DEAARO Cc1cc(N2CCC(CNC(=O)[C@H]3CCOC3)CC2)c(C)c[nH+]1 ZINC000952868431 792784848 /nfs/dbraw/zinc/78/48/48/792784848.db2.gz OLPRKKDIMIRVDH-INIZCTEOSA-N 1 0 317.433 2.068 50 0 DEAARO CC[N@H+](CCn1cccn1)C1CCN(Cc2ccco2)CC1 ZINC000952873474 792790807 /nfs/dbraw/zinc/79/08/07/792790807.db2.gz XLWNLKZUZBRLHD-UHFFFAOYSA-N 1 0 302.422 2.463 50 0 DEAARO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000952876259 792791891 /nfs/dbraw/zinc/79/18/91/792791891.db2.gz IWNIGGXZUKZIJQ-GRDNDAEWSA-N 1 0 300.406 2.469 50 0 DEAARO COC1(c2nccn2C)CC[NH+](CCc2ccncc2C)CC1 ZINC000952883642 792798641 /nfs/dbraw/zinc/79/86/41/792798641.db2.gz YMRXODJJNPDZPJ-UHFFFAOYSA-N 1 0 314.433 2.304 50 0 DEAARO C/C=C/C[NH+]1CCC(CNC(=O)c2cc(C)nc(C)n2)CC1 ZINC000952960024 792804046 /nfs/dbraw/zinc/80/40/46/792804046.db2.gz KWHYRASIBOPJTO-SNAWJCMRSA-N 1 0 302.422 2.111 50 0 DEAARO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c2nonc21 ZINC000952962768 792808356 /nfs/dbraw/zinc/80/83/56/792808356.db2.gz HGGMKKBLFDWUNI-LLVKDONJSA-N 1 0 318.377 2.434 50 0 DEAARO CN1C(=O)CCC[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000952994663 792857406 /nfs/dbraw/zinc/85/74/06/792857406.db2.gz SRGFIZHTKGNMKJ-AWEZNQCLSA-N 1 0 314.389 2.482 50 0 DEAARO Cc1noc(C)c1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000952987227 792868086 /nfs/dbraw/zinc/86/80/86/792868086.db2.gz TWPQLCLNEPSPAC-UHFFFAOYSA-N 1 0 314.389 2.347 50 0 DEAARO C[C@H](O)c1nc2cc(NC(=O)C[NH+]3CCCCCC3)ccc2[nH]1 ZINC000952987517 792868280 /nfs/dbraw/zinc/86/82/80/792868280.db2.gz IDILFUYTBMQBKS-LBPRGKRZSA-N 1 0 316.405 2.431 50 0 DEAARO Cn1ccnc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000952988820 792869073 /nfs/dbraw/zinc/86/90/73/792869073.db2.gz QAMKYTBFOYJOGY-INIZCTEOSA-N 1 0 312.417 2.377 50 0 DEAARO COCCn1ccnc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000216048034 799259803 /nfs/dbraw/zinc/25/98/03/799259803.db2.gz LRFNXCNSOMZISY-QGZVFWFLSA-N 1 0 320.481 2.370 50 0 DEAARO Cc1nncn1CC[N@H+]1CCC[C@H](c2nc(CC(C)C)no2)C1 ZINC001529185916 1070908300 /nfs/dbraw/zinc/90/83/00/1070908300.db2.gz SSDFFBWEWSTFFD-AWEZNQCLSA-N 1 0 318.425 2.048 50 0 DEAARO C=Cc1ccc(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)nc1 ZINC001506399562 1061940860 /nfs/dbraw/zinc/94/08/60/1061940860.db2.gz HQWXVVCMXICNHH-INIZCTEOSA-N 1 0 301.434 2.398 50 0 DEAARO C[NH+]1CCC(n2nccc2NC(=O)c2ccc(Cl)cn2)CC1 ZINC001506426355 1061969519 /nfs/dbraw/zinc/96/95/19/1061969519.db2.gz OASZJJSOKYDQKI-UHFFFAOYSA-N 1 0 319.796 2.451 50 0 DEAARO COc1ccc2c(c1)CCN(C(=O)C[N@@H+]1C[C@@H]3CC[C@H]1C3)C2 ZINC000252486652 1080746959 /nfs/dbraw/zinc/74/69/59/1080746959.db2.gz HNZFYXLGWPKFTG-CJNGLKHVSA-N 1 0 300.402 2.064 50 0 DEAARO CC(C)[C@@H](CNC(=O)c1onc2c1CCCC2)[NH+]1CCCC1 ZINC000820696222 1090561569 /nfs/dbraw/zinc/56/15/69/1090561569.db2.gz BXHMOSZDMIJRIY-OAHLLOKOSA-N 1 0 305.422 2.404 50 0 DEAARO CC[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1nc(C)c[nH]1 ZINC000822650374 1090640809 /nfs/dbraw/zinc/64/08/09/1090640809.db2.gz PTYDDZXCJIGSPC-CQSZACIVSA-N 1 0 301.394 2.127 50 0 DEAARO CCc1nccn1C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000823557446 1090688611 /nfs/dbraw/zinc/68/86/11/1090688611.db2.gz QQBJKCVEHKIYHN-HNNXBMFYSA-N 1 0 320.481 2.461 50 0 DEAARO Cc1cc(C)nc(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000095474336 185372884 /nfs/dbraw/zinc/37/28/84/185372884.db2.gz WZLXEYISCWTUGQ-UHFFFAOYSA-N 1 0 313.405 2.128 50 0 DEAARO CC(C)Oc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1N ZINC000095495869 185374178 /nfs/dbraw/zinc/37/41/78/185374178.db2.gz AQKZHYLZPPVBIH-UHFFFAOYSA-N 1 0 319.449 2.357 50 0 DEAARO CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000095520359 185377084 /nfs/dbraw/zinc/37/70/84/185377084.db2.gz JJPFXGXMBQVTDC-UHFFFAOYSA-N 1 0 306.406 2.306 50 0 DEAARO C[C@@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076980852 185063056 /nfs/dbraw/zinc/06/30/56/185063056.db2.gz MHAGFMMWLNMGBY-ZFWWWQNUSA-N 1 0 302.422 2.268 50 0 DEAARO C[C@@H](CNc1ncccc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000078988196 185141196 /nfs/dbraw/zinc/14/11/96/185141196.db2.gz JIDAPEKSELLTOE-NSHDSACASA-N 1 0 302.344 2.148 50 0 DEAARO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000079099674 185158436 /nfs/dbraw/zinc/15/84/36/185158436.db2.gz VIFPYCKTENGHGM-AWEZNQCLSA-N 1 0 323.396 2.463 50 0 DEAARO CC[C@@H]1CN([C@H](C)c2nc(C3CC3)no2)CC[N@@H+]1CCOC ZINC000247371134 529401692 /nfs/dbraw/zinc/40/16/92/529401692.db2.gz USWGLHGSCKDTSJ-TZMCWYRMSA-N 1 0 308.426 2.051 50 0 DEAARO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000079333640 185165448 /nfs/dbraw/zinc/16/54/48/185165448.db2.gz DPAUFECJLXPKHH-QGZVFWFLSA-N 1 0 312.417 2.363 50 0 DEAARO O=C(CC[N@@H+](CCO)C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000083168630 185215584 /nfs/dbraw/zinc/21/55/84/185215584.db2.gz YBTXFZRAFUULAA-UHFFFAOYSA-N 1 0 316.323 2.491 50 0 DEAARO Cc1csc(C2([NH2+]C[C@H](O)Cn3cccn3)CCCC2)n1 ZINC000083216034 185220077 /nfs/dbraw/zinc/22/00/77/185220077.db2.gz OGSKBNXXKAEPTC-ZDUSSCGKSA-N 1 0 306.435 2.068 50 0 DEAARO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000089963411 185272260 /nfs/dbraw/zinc/27/22/60/185272260.db2.gz RPRPBFOMTATLBP-CVEARBPZSA-N 1 0 316.426 2.113 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1sccc1C)CC2 ZINC000090396436 185294166 /nfs/dbraw/zinc/29/41/66/185294166.db2.gz NUHXXUQYLXGGAL-VXGBXAGGSA-N 1 0 306.435 2.460 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000090411116 185294669 /nfs/dbraw/zinc/29/46/69/185294669.db2.gz QNMIHQPZCYSEJP-HIFRSBDPSA-N 1 0 321.396 2.433 50 0 DEAARO C(Cc1nc2c(s1)CCC2)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082097666 192354754 /nfs/dbraw/zinc/35/47/54/192354754.db2.gz FOUCSLKHMAPFLP-ZDUSSCGKSA-N 1 0 322.474 2.492 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082120681 192359476 /nfs/dbraw/zinc/35/94/76/192359476.db2.gz WLLYVMBZWAYBJK-SFHVURJKSA-N 1 0 320.433 2.175 50 0 DEAARO CCCNc1ncc(CN2C[C@@H](CCC)[C@H]([NH+](C)C)C2)cn1 ZINC000082137130 192361231 /nfs/dbraw/zinc/36/12/31/192361231.db2.gz ZPOAHXNNTFKNHG-HZPDHXFCSA-N 1 0 305.470 2.461 50 0 DEAARO COc1ccccc1[C@H](C)[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000095423658 185361265 /nfs/dbraw/zinc/36/12/65/185361265.db2.gz YYTCLIYTNVEEHT-WMLDXEAASA-N 1 0 320.433 2.229 50 0 DEAARO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)Cc1ccccc1Cl ZINC000095432085 185363661 /nfs/dbraw/zinc/36/36/61/185363661.db2.gz BDCNUIRGAFFWIX-LBPRGKRZSA-N 1 0 304.843 2.133 50 0 DEAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1Cl ZINC000095421360 185360524 /nfs/dbraw/zinc/36/05/24/185360524.db2.gz LFBMXAPLTSYGOI-SMDDNHRTSA-N 1 0 323.824 2.234 50 0 DEAARO Cc1c2cc(F)ccc2[nH]c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097155984 185416666 /nfs/dbraw/zinc/41/66/66/185416666.db2.gz IXTKOWYZDSBYON-OAHLLOKOSA-N 1 0 316.424 2.095 50 0 DEAARO COc1cccc(CN2CCC([NH2+]Cc3c[nH]nc3C)CC2)c1 ZINC000097159451 185416839 /nfs/dbraw/zinc/41/68/39/185416839.db2.gz KBCBMRKDEBPPEV-UHFFFAOYSA-N 1 0 314.433 2.481 50 0 DEAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000036300040 282337562 /nfs/dbraw/zinc/33/75/62/282337562.db2.gz RCJIMXMEWSFQGF-UHFFFAOYSA-N 1 0 322.352 2.078 50 0 DEAARO CCc1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(CC)c2)n1 ZINC000083830485 539390756 /nfs/dbraw/zinc/39/07/56/539390756.db2.gz BXGAIYPPZZIKIX-HUBLWGQQSA-N 1 0 319.409 2.277 50 0 DEAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3ccncc3)C2)o1 ZINC000084258904 539394352 /nfs/dbraw/zinc/39/43/52/539394352.db2.gz QTHFHKARXLMVMK-MRXNPFEDSA-N 1 0 300.406 2.127 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@H]2C)n1 ZINC000084714677 539398305 /nfs/dbraw/zinc/39/83/05/539398305.db2.gz HJAXOMUPYQDMHH-DYEKYZERSA-N 1 0 320.437 2.491 50 0 DEAARO CC(C)([NH2+]CCCc1ccccc1)C(=O)NC1CCC(O)CC1 ZINC000069739875 190810099 /nfs/dbraw/zinc/81/00/99/190810099.db2.gz LOBQEIZDKOSTOL-UHFFFAOYSA-N 1 0 318.461 2.407 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000070173600 190867305 /nfs/dbraw/zinc/86/73/05/190867305.db2.gz JVFINNUPDNOYRK-MNOVXSKESA-N 1 0 302.827 2.088 50 0 DEAARO CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000170048911 539613996 /nfs/dbraw/zinc/61/39/96/539613996.db2.gz MLWSPGLAMSJSOO-HZPDHXFCSA-N 1 0 304.434 2.139 50 0 DEAARO CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000083851013 192386481 /nfs/dbraw/zinc/38/64/81/192386481.db2.gz SJWTVAGDTXLMMT-UHFFFAOYSA-N 1 0 305.357 2.037 50 0 DEAARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000219318163 539726836 /nfs/dbraw/zinc/72/68/36/539726836.db2.gz DRHLSMPASBVDKR-UHFFFAOYSA-N 1 0 304.390 2.085 50 0 DEAARO CC(C)OC[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000084621868 192447953 /nfs/dbraw/zinc/44/79/53/192447953.db2.gz WXMJKIZLHDSHLN-MSOLQXFVSA-N 1 0 306.450 2.373 50 0 DEAARO Cc1cccc(OCCN2CCC[C@](O)(C[NH+](C)C)C2)c1C ZINC000072141963 191049237 /nfs/dbraw/zinc/04/92/37/191049237.db2.gz WKJJDRNOVSTWMV-SFHVURJKSA-N 1 0 306.450 2.071 50 0 DEAARO OC[C@]1(O)CCC[N@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000072143998 191050559 /nfs/dbraw/zinc/05/05/59/191050559.db2.gz VXOPNQGMMHGFFZ-IBGZPJMESA-N 1 0 312.413 2.458 50 0 DEAARO O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072145747 191051728 /nfs/dbraw/zinc/05/17/28/191051728.db2.gz HOYLEBZOXZDIOF-QGZVFWFLSA-N 1 0 324.428 2.170 50 0 DEAARO COc1cccc([C@@H]2CCC[N@@H+]2CCCn2nnnc2C)c1 ZINC000072150659 191055240 /nfs/dbraw/zinc/05/52/40/191055240.db2.gz SJJZVPJIVFEXDD-INIZCTEOSA-N 1 0 301.394 2.217 50 0 DEAARO Cn1ccc2c1nccc2-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000072156444 191059538 /nfs/dbraw/zinc/05/95/38/191059538.db2.gz LJJZVTWYLOBDHN-UHFFFAOYSA-N 1 0 321.428 2.383 50 0 DEAARO CCCCN1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000072157285 191060465 /nfs/dbraw/zinc/06/04/65/191060465.db2.gz RSLYRYXYQOXJNX-DLBZAZTESA-N 1 0 307.482 2.195 50 0 DEAARO COCCCN(Cc1cncn1C(C)C)C1CC[NH+](C)CC1 ZINC000072172793 191069078 /nfs/dbraw/zinc/06/90/78/191069078.db2.gz KSSAVAWSAPQEMC-UHFFFAOYSA-N 1 0 308.470 2.397 50 0 DEAARO O=C(N[C@@H]1CCc2nccn2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000072278563 191099657 /nfs/dbraw/zinc/09/96/57/191099657.db2.gz PUPVJNVPPIUQCS-QGZVFWFLSA-N 1 0 324.428 2.224 50 0 DEAARO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC2CCCC2)CC1 ZINC000072282575 191103032 /nfs/dbraw/zinc/10/30/32/191103032.db2.gz NWKDOFICEWQDCO-INIZCTEOSA-N 1 0 307.482 2.195 50 0 DEAARO O[C@H](C[NH+]1CCC(O)(c2ccccc2)CC1)CC(F)(F)F ZINC000189982100 186258535 /nfs/dbraw/zinc/25/85/35/186258535.db2.gz DPEXGCZARHRNNC-ZDUSSCGKSA-N 1 0 303.324 2.283 50 0 DEAARO C[NH+](C)CCSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000072591752 191198731 /nfs/dbraw/zinc/19/87/31/191198731.db2.gz PERJUOZNCSDTKI-GFCCVEGCSA-N 1 0 307.375 2.236 50 0 DEAARO CCN1N=[N+](c2ccccc2)C(=O)C1C(=O)Nc1ccccc1 ZINC000003765441 181045202 /nfs/dbraw/zinc/04/52/02/181045202.db2.gz VKUIOVYFKMTLPE-UHFFFAOYSA-O 1 0 309.349 2.138 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000004487269 181113565 /nfs/dbraw/zinc/11/35/65/181113565.db2.gz JQGFNLQOMCHPEK-OAHLLOKOSA-N 1 0 307.390 2.123 50 0 DEAARO C[N@@H+]1CCCN(C(=O)Cc2cccn2-c2ccc(F)cc2)CC1 ZINC000065170769 354679779 /nfs/dbraw/zinc/67/97/79/354679779.db2.gz MEZYMDDRJPJPHO-UHFFFAOYSA-N 1 0 315.392 2.323 50 0 DEAARO CC(C)=CC[NH+]1CCC(NC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000073471878 191319327 /nfs/dbraw/zinc/31/93/27/191319327.db2.gz XMNVMYIPHQVAOY-KRWDZBQOSA-N 1 0 302.418 2.267 50 0 DEAARO CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000076041595 355120517 /nfs/dbraw/zinc/12/05/17/355120517.db2.gz VANBOLJVQDZTOS-CABCVRRESA-N 1 0 318.417 2.018 50 0 DEAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CCc3ccncc3)C2)o1 ZINC000076047807 355121116 /nfs/dbraw/zinc/12/11/16/355121116.db2.gz OZZNWXAIVFVXCX-MRXNPFEDSA-N 1 0 314.433 2.381 50 0 DEAARO COc1ccc([C@@H]2[C@@H]([NH3+])[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941316 191392259 /nfs/dbraw/zinc/39/22/59/191392259.db2.gz QAKWCDKFQTULHZ-YESZJQIVSA-N 1 0 321.384 2.370 50 0 DEAARO CC[NH+](CC)CCCNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004991306 181186039 /nfs/dbraw/zinc/18/60/39/181186039.db2.gz MBKQZSDSAZIECW-UHFFFAOYSA-N 1 0 317.433 2.275 50 0 DEAARO Cc1cnc(CN(Cc2cnc(C)s2)[C@H]2CC[N@@H+](C)C2)o1 ZINC000089702338 355541737 /nfs/dbraw/zinc/54/17/37/355541737.db2.gz ODFFBDKSSZPXPV-ZDUSSCGKSA-N 1 0 306.435 2.454 50 0 DEAARO Cc1ccnc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 ZINC000077209674 191675805 /nfs/dbraw/zinc/67/58/05/191675805.db2.gz CKWXKTGKRIQCCQ-UHFFFAOYSA-N 1 0 312.417 2.422 50 0 DEAARO C[S@](=O)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000097095449 355700868 /nfs/dbraw/zinc/70/08/68/355700868.db2.gz YWDLEMGKSPYOGP-OAQYLSRUSA-N 1 0 321.364 2.313 50 0 DEAARO CC[C@@H]([NH2+]C1CC(c2cccc(C)c2)C1)C(=O)N1CCOCC1 ZINC000097373012 355704301 /nfs/dbraw/zinc/70/43/01/355704301.db2.gz YYNFYZYXHXLXPY-DAWZGUTISA-N 1 0 316.445 2.468 50 0 DEAARO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccsc2)CC12CCOCC2 ZINC000097942775 355706825 /nfs/dbraw/zinc/70/68/25/355706825.db2.gz PQFZOQICRWDLIQ-HNNXBMFYSA-N 1 0 322.474 2.107 50 0 DEAARO c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2CC2OCCO2)cc1 ZINC000110710078 355745325 /nfs/dbraw/zinc/74/53/25/355745325.db2.gz CCGSCZDECCVOGO-ZWKOTPCHSA-N 1 0 316.445 2.488 50 0 DEAARO NC(=O)c1c(NC(=O)CC[NH+]2CCCC2)sc2c1CCCC2 ZINC000005382602 181237088 /nfs/dbraw/zinc/23/70/88/181237088.db2.gz AFYGDYSLPNHWHZ-UHFFFAOYSA-N 1 0 321.446 2.150 50 0 DEAARO CCCc1noc([C@@H](C)N2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000229477543 356282200 /nfs/dbraw/zinc/28/22/00/356282200.db2.gz LOTZNMKJJLZGON-CHWSQXEVSA-N 1 0 304.398 2.087 50 0 DEAARO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000229478699 356282361 /nfs/dbraw/zinc/28/23/61/356282361.db2.gz BAGOMSBZKFSCKC-SJLPKXTDSA-N 1 0 314.433 2.341 50 0 DEAARO CC(=O)N1CCCN([C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C)CC1 ZINC000229918502 356282671 /nfs/dbraw/zinc/28/26/71/356282671.db2.gz AYSRTERLRJGALE-MAUKXSAKSA-N 1 0 307.482 2.051 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(c3ccccc3Cl)CCC2)C1 ZINC000252501940 356334614 /nfs/dbraw/zinc/33/46/14/356334614.db2.gz 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CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000276705931 213058545 /nfs/dbraw/zinc/05/85/45/213058545.db2.gz XPRBXRSYJSSOFQ-CHWSQXEVSA-N 1 0 317.414 2.034 50 0 DEAARO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC([NH3+])CC1 ZINC000237547433 202277386 /nfs/dbraw/zinc/27/73/86/202277386.db2.gz OFLYGEHPNLXWPU-SNVBAGLBSA-N 1 0 316.323 2.422 50 0 DEAARO Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C[NH3+])CC1 ZINC000237564199 202284205 /nfs/dbraw/zinc/28/42/05/202284205.db2.gz HYGFZKFNXJGNHD-UHFFFAOYSA-N 1 0 301.312 2.220 50 0 DEAARO Cc1c(C(=O)N2CCC[NH2+]CC2)cnn1-c1ccccc1Cl ZINC000237743711 202344361 /nfs/dbraw/zinc/34/43/61/202344361.db2.gz LJVAPPSZMGXCPB-UHFFFAOYSA-N 1 0 318.808 2.270 50 0 DEAARO Cn1cncc1C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000237922518 202391540 /nfs/dbraw/zinc/39/15/40/202391540.db2.gz XTSPNLWBJWRAJZ-UHFFFAOYSA-N 1 0 302.397 2.313 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000670435006 540932667 /nfs/dbraw/zinc/93/26/67/540932667.db2.gz 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DEAARO CO[C@H]1CCC[N@H+](CC2(CN3CCOCC3)CCCCC2)C1 ZINC000091772553 193105131 /nfs/dbraw/zinc/10/51/31/193105131.db2.gz YXRSDWPSKPASAN-KRWDZBQOSA-N 1 0 310.482 2.380 50 0 DEAARO CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1 ZINC000092038484 193145863 /nfs/dbraw/zinc/14/58/63/193145863.db2.gz DHZZVNCKBBJIBJ-FUHWJXTLSA-N 1 0 315.461 2.238 50 0 DEAARO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC000252571666 202867416 /nfs/dbraw/zinc/86/74/16/202867416.db2.gz YHBVLKMSNUQFQG-AWEZNQCLSA-N 1 0 303.406 2.356 50 0 DEAARO CCSc1cncc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000096453518 193654215 /nfs/dbraw/zinc/65/42/15/193654215.db2.gz ZZOBIGQHWOGXJP-UHFFFAOYSA-N 1 0 322.478 2.137 50 0 DEAARO CC1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000011235523 181687460 /nfs/dbraw/zinc/68/74/60/181687460.db2.gz KZTIJGPLSIGBGL-UHFFFAOYSA-N 1 0 303.406 2.134 50 0 DEAARO COCc1noc(-c2ccc(OC[C@@]3(C)CCC[NH2+]C3)nc2)n1 ZINC000012386658 181754954 /nfs/dbraw/zinc/75/49/54/181754954.db2.gz 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CC[NH+]1CCN(Cc2ccc(CNC(=O)CC(C)C)cc2)CC1 ZINC000040115266 183037085 /nfs/dbraw/zinc/03/70/85/183037085.db2.gz RXRIFDNSAUQBHQ-UHFFFAOYSA-N 1 0 317.477 2.486 50 0 DEAARO O=C(Nc1nccs1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000040553525 183100639 /nfs/dbraw/zinc/10/06/39/183100639.db2.gz SEWBBKINNGKTBP-UHFFFAOYSA-N 1 0 317.418 2.324 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)Nc1cccc2cnccc21 ZINC000043160956 183342168 /nfs/dbraw/zinc/34/21/68/183342168.db2.gz KJANWWHABWAVNE-UHFFFAOYSA-N 1 0 316.405 2.325 50 0 DEAARO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c(C(C)C)c2)C1 ZINC000096492277 284695742 /nfs/dbraw/zinc/69/57/42/284695742.db2.gz GEMHMJYJUWOAQS-AWEZNQCLSA-N 1 0 319.449 2.302 50 0 DEAARO Cc1cnc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000106135302 194188113 /nfs/dbraw/zinc/18/81/13/194188113.db2.gz DEKKXAGVKYBSNL-ZBFHGGJFSA-N 1 0 310.401 2.350 50 0 DEAARO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000056156990 184006212 /nfs/dbraw/zinc/00/62/12/184006212.db2.gz 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Cc1ccc(C(=O)NCC2=CC[N@H+](CCn3cccn3)CC2)cc1 ZINC000065507242 184356764 /nfs/dbraw/zinc/35/67/64/184356764.db2.gz PSBGYEIVTADOFA-UHFFFAOYSA-N 1 0 324.428 2.254 50 0 DEAARO Cc1noc(C)c1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000065615223 184374194 /nfs/dbraw/zinc/37/41/94/184374194.db2.gz OBOGCAYHSFNMRM-UHFFFAOYSA-N 1 0 316.405 2.223 50 0 DEAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3csnn3)ccc21 ZINC000065621419 184374739 /nfs/dbraw/zinc/37/47/39/184374739.db2.gz HWVMFWPCDKXKQJ-UHFFFAOYSA-N 1 0 315.402 2.307 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000065624457 184375338 /nfs/dbraw/zinc/37/53/38/184375338.db2.gz DZEUEYXAQSBSPJ-CYBMUJFWSA-N 1 0 304.312 2.005 50 0 DEAARO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269234107 207360380 /nfs/dbraw/zinc/36/03/80/207360380.db2.gz FFGOJDWZUYFQTH-SJLPKXTDSA-N 1 0 310.397 2.035 50 0 DEAARO CC(C)C[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067459114 184467806 /nfs/dbraw/zinc/46/78/06/184467806.db2.gz MECSGRZJMPHMFQ-IBGZPJMESA-N 1 0 318.461 2.218 50 0 DEAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(C(=O)OC)n1 ZINC000069415755 184512747 /nfs/dbraw/zinc/51/27/47/184512747.db2.gz OIFIZQYERJEGLZ-CYBMUJFWSA-N 1 0 321.421 2.109 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+][C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000069370507 184510110 /nfs/dbraw/zinc/51/01/10/184510110.db2.gz ACWSFOJVNLJRCC-RDJZCZTQSA-N 1 0 312.417 2.225 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000120117243 195099607 /nfs/dbraw/zinc/09/96/07/195099607.db2.gz CDYFRMAYHKOFCQ-SOUVJXGZSA-N 1 0 311.447 2.172 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000120112762 195099740 /nfs/dbraw/zinc/09/97/40/195099740.db2.gz VEGNLHATDDJTOW-UONOGXRCSA-N 1 0 321.446 2.242 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000159070790 197324264 /nfs/dbraw/zinc/32/42/64/197324264.db2.gz YZVUVJJSZWNNMR-WMLDXEAASA-N 1 0 302.418 2.149 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000158343660 197264636 /nfs/dbraw/zinc/26/46/36/197264636.db2.gz UFSBCGUMURSAEN-OAHLLOKOSA-N 1 0 311.385 2.224 50 0 DEAARO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCCC(=O)NC(N)=O)c1 ZINC000177882861 256590535 /nfs/dbraw/zinc/59/05/35/256590535.db2.gz QNNYKUQBBZEKTQ-OAHLLOKOSA-N 1 0 303.406 2.415 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000521394624 257241097 /nfs/dbraw/zinc/24/10/97/257241097.db2.gz JXIUAUUIJSFJPM-AWEZNQCLSA-N 1 0 320.408 2.434 50 0 DEAARO NC(=O)[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000071824465 184854951 /nfs/dbraw/zinc/85/49/51/184854951.db2.gz FEFDPJUASMNRKF-SFHVURJKSA-N 1 0 309.413 2.472 50 0 DEAARO CC1CC[NH+](C[C@H](O)Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000071825082 184855794 /nfs/dbraw/zinc/85/57/94/184855794.db2.gz UINHBHRYWCRKGF-LBPRGKRZSA-N 1 0 309.360 2.407 50 0 DEAARO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 ZINC000069629117 184829343 /nfs/dbraw/zinc/82/93/43/184829343.db2.gz OVPNRUFPGLAPNF-KRWDZBQOSA-N 1 0 306.381 2.115 50 0 DEAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069654186 184832557 /nfs/dbraw/zinc/83/25/57/184832557.db2.gz GLDWEEAUALRPLG-HNNXBMFYSA-N 1 0 322.416 2.442 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000376719230 133305320 /nfs/dbraw/zinc/30/53/20/133305320.db2.gz VEBIXMZZSHAWPH-CQSZACIVSA-N 1 0 314.476 2.129 50 0 DEAARO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007728755 401743584 /nfs/dbraw/zinc/74/35/84/401743584.db2.gz WTAWODJWFFOCNO-UHFFFAOYSA-N 1 0 310.463 2.395 50 0 DEAARO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000000063565 401687611 /nfs/dbraw/zinc/68/76/11/401687611.db2.gz YEJHNHRRDHFVFK-MRXNPFEDSA-N 1 0 312.344 2.290 50 0 DEAARO Fc1ccccc1OCC[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876167 401690439 /nfs/dbraw/zinc/69/04/39/401690439.db2.gz OYWCUFAUBMBBPD-CQSZACIVSA-N 1 0 304.369 2.351 50 0 DEAARO c1ncn(C[C@H]2CCCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC000071876424 401690928 /nfs/dbraw/zinc/69/09/28/401690928.db2.gz JITJLIHAMJICED-OAHLLOKOSA-N 1 0 314.389 2.104 50 0 DEAARO C[C@@H](O)C[N@@H+](Cc1ccccc1Br)C[C@H](C)O ZINC000000216329 401691260 /nfs/dbraw/zinc/69/12/60/401691260.db2.gz YYWCQYGMXQINLO-PHIMTYICSA-N 1 0 302.212 2.013 50 0 DEAARO Cc1csc2nc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)cc(=O)n12 ZINC000071882106 401691600 /nfs/dbraw/zinc/69/16/00/401691600.db2.gz LOGJGISSRKODDE-NWDGAFQWSA-N 1 0 317.418 2.000 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000126443598 401694685 /nfs/dbraw/zinc/69/46/85/401694685.db2.gz KXASGEMZICPPPR-JTQLQIEISA-N 1 0 300.761 2.068 50 0 DEAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCOCC1 ZINC000071914929 401696895 /nfs/dbraw/zinc/69/68/95/401696895.db2.gz QBXPOMIWPRXXHL-GDBMZVCRSA-N 1 0 320.408 2.252 50 0 DEAARO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)N1CCOCC1 ZINC000071914925 401696911 /nfs/dbraw/zinc/69/69/11/401696911.db2.gz ICNLPHNNOZAAKI-HNNXBMFYSA-N 1 0 306.406 2.446 50 0 DEAARO Cc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1Cl ZINC000000421545 401697671 /nfs/dbraw/zinc/69/76/71/401697671.db2.gz UIQJCBJFKNTKTO-UHFFFAOYSA-N 1 0 323.809 2.334 50 0 DEAARO O[C@@H](CN1c2ccccc2N2CC[NH+]=C12)c1ccc2c(c1)OCO2 ZINC000000548452 401701262 /nfs/dbraw/zinc/70/12/62/401701262.db2.gz AUSZIBBUZHVDLH-HNNXBMFYSA-N 1 0 323.352 2.145 50 0 DEAARO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H](C)n1cccn1 ZINC000072269799 401704818 /nfs/dbraw/zinc/70/48/18/401704818.db2.gz CNULSQBRHUSBLS-GJZGRUSLSA-N 1 0 312.417 2.402 50 0 DEAARO COc1ccc(CC[C@@H](C)[NH2+]CCCN2CCOCC2)cc1 ZINC000002497784 401714173 /nfs/dbraw/zinc/71/41/73/401714173.db2.gz CFEDHAYTUYQKJQ-MRXNPFEDSA-N 1 0 306.450 2.328 50 0 DEAARO CC(C)(CO)[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000002827182 401718802 /nfs/dbraw/zinc/71/88/02/401718802.db2.gz GDEYSGYAHFMAMR-KRWDZBQOSA-N 1 0 315.413 2.454 50 0 DEAARO OC1(C[NH2+]Cc2ccccc2Br)CCOCC1 ZINC000112717077 401755978 /nfs/dbraw/zinc/75/59/78/401755978.db2.gz WBQYWOCXPIUMIJ-UHFFFAOYSA-N 1 0 300.196 2.080 50 0 DEAARO Cc1cccc([C@H]2CCCC[N@@H+]2CCN2C(=O)CNC2=O)c1C ZINC000075999680 401776521 /nfs/dbraw/zinc/77/65/21/401776521.db2.gz FKOMJDRDXAOVCL-MRXNPFEDSA-N 1 0 315.417 2.382 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]CC1CCCCC1 ZINC000011878851 401777706 /nfs/dbraw/zinc/77/77/06/401777706.db2.gz FUHAOARZTMDRAN-GOSISDBHSA-N 1 0 308.466 2.310 50 0 DEAARO Cc1nc(CN(C)[C@H]2CC[N@H+](CCc3cccs3)C2)no1 ZINC000076047331 401778506 /nfs/dbraw/zinc/77/85/06/401778506.db2.gz SPDUCIBGVPFHHA-ZDUSSCGKSA-N 1 0 306.435 2.188 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 ZINC000012196066 401781027 /nfs/dbraw/zinc/78/10/27/401781027.db2.gz PFOXNZFGYNSSNG-GFCCVEGCSA-N 1 0 302.330 2.041 50 0 DEAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)[nH]n1 ZINC000012447359 401786498 /nfs/dbraw/zinc/78/64/98/401786498.db2.gz DSCRQLYWLMBUJC-OAHLLOKOSA-N 1 0 304.438 2.493 50 0 DEAARO COc1ccc(C[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1OC ZINC000012932618 401793873 /nfs/dbraw/zinc/79/38/73/401793873.db2.gz SNFOJHKYLPZEEH-LBPRGKRZSA-N 1 0 306.406 2.241 50 0 DEAARO COC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020169319 401823808 /nfs/dbraw/zinc/82/38/08/401823808.db2.gz GRDSFLZGWBWTBZ-ZDUSSCGKSA-N 1 0 308.397 2.189 50 0 DEAARO C/C=C(\C)C[N@H+]1CCC[C@H](N2CCN(C(=O)OCC)CC2)C1 ZINC000020995834 401825210 /nfs/dbraw/zinc/82/52/10/401825210.db2.gz LRXMVVXBTZSRTO-MRJCOXNESA-N 1 0 309.454 2.191 50 0 DEAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1noc2ccccc21 ZINC000115434972 401827467 /nfs/dbraw/zinc/82/74/67/401827467.db2.gz ZEXMOVNQWJVVRE-CYBMUJFWSA-N 1 0 301.390 2.171 50 0 DEAARO Cc1oc(C)c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000025393938 401833770 /nfs/dbraw/zinc/83/37/70/401833770.db2.gz UDXOANSQMOIVOX-OAHLLOKOSA-N 1 0 308.422 2.291 50 0 DEAARO CC(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793220 401847538 /nfs/dbraw/zinc/84/75/38/401847538.db2.gz QNOXLYMWNFTRFS-MRXNPFEDSA-N 1 0 323.868 2.401 50 0 DEAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000027970989 401848565 /nfs/dbraw/zinc/84/85/65/401848565.db2.gz PQRVQTDTRRWWBA-UHFFFAOYSA-N 1 0 316.492 2.470 50 0 DEAARO COc1ccccc1C(C)(C)[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000078440879 401851424 /nfs/dbraw/zinc/85/14/24/401851424.db2.gz ABPQXNWXDBYBDN-UHFFFAOYSA-N 1 0 321.421 2.144 50 0 DEAARO Cc1cc(NC(=O)CC[N@H+](C)CCOc2ccccc2)no1 ZINC000028634378 401852760 /nfs/dbraw/zinc/85/27/60/401852760.db2.gz NMLYKGGAXPHNDV-UHFFFAOYSA-N 1 0 303.362 2.322 50 0 DEAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2cccs2)C(C)C)CC1 ZINC000029596876 401857630 /nfs/dbraw/zinc/85/76/30/401857630.db2.gz ZZQUZIOUHQNTNY-MRXNPFEDSA-N 1 0 309.479 2.199 50 0 DEAARO Cc1nc(CN2CC[NH+](C[C@@H](C)c3ccccc3)CC2)no1 ZINC000116879519 401862980 /nfs/dbraw/zinc/86/29/80/401862980.db2.gz BAGTVMSQFHKRAQ-CQSZACIVSA-N 1 0 300.406 2.299 50 0 DEAARO O=C(/C=C/c1ccncc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000032355274 401878380 /nfs/dbraw/zinc/87/83/80/401878380.db2.gz WNIFCXGWTSFDRI-AATRIKPKSA-N 1 0 307.397 2.269 50 0 DEAARO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2ncccc2c1=O ZINC000032593079 401879641 /nfs/dbraw/zinc/87/96/41/401879641.db2.gz ZKGYDYUGAGXUCN-CQSZACIVSA-N 1 0 300.406 2.445 50 0 DEAARO CC(C)[C@@H](CNc1ncnc2sccc21)[NH+]1CCN(C)CC1 ZINC000032760677 401882608 /nfs/dbraw/zinc/88/26/08/401882608.db2.gz DUMZHBUPDOQXFJ-CQSZACIVSA-N 1 0 319.478 2.375 50 0 DEAARO CC[NH+]1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000033029212 401887962 /nfs/dbraw/zinc/88/79/62/401887962.db2.gz OKTICWMVMWOPMK-UHFFFAOYSA-N 1 0 303.435 2.203 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000035255884 401897626 /nfs/dbraw/zinc/89/76/26/401897626.db2.gz FCPMEORZUKHWOQ-SECBINFHSA-N 1 0 303.225 2.269 50 0 DEAARO CSc1ccccc1C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082096302 401899986 /nfs/dbraw/zinc/89/99/86/401899986.db2.gz WTISNIYJYUJEFT-UHFFFAOYSA-N 1 0 316.430 2.028 50 0 DEAARO Cc1nccn1CCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000084290844 401904580 /nfs/dbraw/zinc/90/45/80/401904580.db2.gz HKNHQLUWBCETFB-QGZVFWFLSA-N 1 0 318.465 2.495 50 0 DEAARO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc2c(c1)CCC2 ZINC000036829460 401908514 /nfs/dbraw/zinc/90/85/14/401908514.db2.gz GFXNGLXJYLYCMH-UHFFFAOYSA-N 1 0 322.474 2.330 50 0 DEAARO Cc1ccccc1CCC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000084679531 401909281 /nfs/dbraw/zinc/90/92/81/401909281.db2.gz GNLYUWPPFGGYNM-INIZCTEOSA-N 1 0 324.490 2.189 50 0 DEAARO c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncc1-c1nc(C2CC2)no1 ZINC000039515632 401924188 /nfs/dbraw/zinc/92/41/88/401924188.db2.gz MALQVTVHPWYMDG-CQSZACIVSA-N 1 0 311.389 2.293 50 0 DEAARO C[C@H]1COCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000044966582 401951596 /nfs/dbraw/zinc/95/15/96/401951596.db2.gz SQGXCWGZYREOEF-UONOGXRCSA-N 1 0 323.462 2.315 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccccn1)c1ccsc1 ZINC000044946302 401952064 /nfs/dbraw/zinc/95/20/64/401952064.db2.gz ZWRQCFGEZGVVPG-AWEZNQCLSA-N 1 0 304.419 2.245 50 0 DEAARO O=c1n(CC[N@@H+]2CCC[C@@H]2c2ccsc2)nc2ccccn21 ZINC000048300560 401998015 /nfs/dbraw/zinc/99/80/15/401998015.db2.gz XPEZUXULSMKVJV-CQSZACIVSA-N 1 0 314.414 2.395 50 0 DEAARO O=C(Nc1ccccn1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000089883854 401969799 /nfs/dbraw/zinc/96/97/99/401969799.db2.gz FXAYFCXDZYBLOR-HNNXBMFYSA-N 1 0 318.421 2.190 50 0 DEAARO CC(C)OCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000089887858 401970189 /nfs/dbraw/zinc/97/01/89/401970189.db2.gz PDFCTEQFMIDYSQ-HNNXBMFYSA-N 1 0 312.479 2.478 50 0 DEAARO CC(C)Oc1ccc([C@@H](O)CNC(=O)C[N@@H+]2CCC[C@H]2C)cc1 ZINC000089929867 401974069 /nfs/dbraw/zinc/97/40/69/401974069.db2.gz ZVLHZHHWEIBEHO-PBHICJAKSA-N 1 0 320.433 2.108 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000089937688 401974841 /nfs/dbraw/zinc/97/48/41/401974841.db2.gz HFCWSAWGKGCWLY-FSIBCCDJSA-N 1 0 324.837 2.225 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC000047144244 401979222 /nfs/dbraw/zinc/97/92/22/401979222.db2.gz CBNCMYJHYPOORD-OAHLLOKOSA-N 1 0 312.417 2.477 50 0 DEAARO c1ccc(CN2C[C@H]3C[NH2+]C[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000090751643 401986963 /nfs/dbraw/zinc/98/69/63/401986963.db2.gz SNGGAGSGIFAHDI-BGYRXZFFSA-N 1 0 307.441 2.345 50 0 DEAARO [NH3+]C1(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 ZINC000091547462 401996215 /nfs/dbraw/zinc/99/62/15/401996215.db2.gz ZFVUSETYAXBBOD-HNNXBMFYSA-N 1 0 308.385 2.129 50 0 DEAARO O=C(N1CCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091468284 401996369 /nfs/dbraw/zinc/99/63/69/401996369.db2.gz MEABZIGYCRIZDP-DLBZAZTESA-N 1 0 314.433 2.194 50 0 DEAARO COc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000044353057 401941800 /nfs/dbraw/zinc/94/18/00/401941800.db2.gz BARQDRXKFMAYAE-UHFFFAOYSA-N 1 0 305.399 2.389 50 0 DEAARO COc1ccc(CC[N@H+](C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000089346446 401942749 /nfs/dbraw/zinc/94/27/49/401942749.db2.gz NTURHXBTGOFGLU-HOTGVXAUSA-N 1 0 311.447 2.135 50 0 DEAARO CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044541064 401945184 /nfs/dbraw/zinc/94/51/84/401945184.db2.gz BRQBTKNJGAIAOZ-LLVKDONJSA-N 1 0 314.227 2.224 50 0 DEAARO Cc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C)nn3)C2)s1 ZINC000095351564 402026366 /nfs/dbraw/zinc/02/63/66/402026366.db2.gz KUIPCSUPJJPXPK-CYBMUJFWSA-N 1 0 303.435 2.309 50 0 DEAARO CCc1cnc(NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000095353114 402026424 /nfs/dbraw/zinc/02/64/24/402026424.db2.gz VCVVPLXPNXXIOZ-UHFFFAOYSA-N 1 0 304.438 2.486 50 0 DEAARO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccnc2)ncn1 ZINC000095351539 402026562 /nfs/dbraw/zinc/02/65/62/402026562.db2.gz ZTJFVDHKBCYVFM-DZGCQCFKSA-N 1 0 312.421 2.233 50 0 DEAARO Cc1cnc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000095356112 402027289 /nfs/dbraw/zinc/02/72/89/402027289.db2.gz VYLQXWRORISKMU-MRXNPFEDSA-N 1 0 310.401 2.182 50 0 DEAARO Cc1nc(-c2n[nH]c3c2CCCC3)n(C2CC[NH+](C)CC2)n1 ZINC000095362258 402027787 /nfs/dbraw/zinc/02/77/87/402027787.db2.gz RJLGTYJHSKWSSC-UHFFFAOYSA-N 1 0 300.410 2.122 50 0 DEAARO CCc1[nH+]c(N)nc(N2CC(Oc3ccccc3F)C2)c1C ZINC000095373819 402029678 /nfs/dbraw/zinc/02/96/78/402029678.db2.gz JKRXCOAFNIPCHG-UHFFFAOYSA-N 1 0 302.353 2.336 50 0 DEAARO Cc1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000095426339 402032388 /nfs/dbraw/zinc/03/23/88/402032388.db2.gz UDLFQKDSJAFWQY-IAGOWNOFSA-N 1 0 312.417 2.080 50 0 DEAARO COc1cc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1C ZINC000095426466 402032394 /nfs/dbraw/zinc/03/23/94/402032394.db2.gz QJHKOZGIHGKLHH-KRWDZBQOSA-N 1 0 310.397 2.334 50 0 DEAARO Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000095426340 402032433 /nfs/dbraw/zinc/03/24/33/402032433.db2.gz UDLFQKDSJAFWQY-SJORKVTESA-N 1 0 312.417 2.080 50 0 DEAARO CC(C)NC(=O)CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000095427072 402032556 /nfs/dbraw/zinc/03/25/56/402032556.db2.gz AAJSQOYVEBBZJI-HOTGVXAUSA-N 1 0 317.477 2.257 50 0 DEAARO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000052133796 402039827 /nfs/dbraw/zinc/03/98/27/402039827.db2.gz VYYCCJVPQPKRMI-HNNXBMFYSA-N 1 0 314.426 2.120 50 0 DEAARO Cc1cccc2[nH]c(CNC(=O)NCC[NH+]3CCCCC3)nc21 ZINC000095979982 402041472 /nfs/dbraw/zinc/04/14/72/402041472.db2.gz TVIQOCAUDARAOR-UHFFFAOYSA-N 1 0 315.421 2.156 50 0 DEAARO OC[C@]1([NH2+]C[C@@H](O)c2ccccc2F)CCc2ccccc21 ZINC000095980398 402041504 /nfs/dbraw/zinc/04/15/04/402041504.db2.gz RJXKXSNGHTXWMQ-QZTJIDSGSA-N 1 0 301.361 2.283 50 0 DEAARO COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000095995170 402044822 /nfs/dbraw/zinc/04/48/22/402044822.db2.gz DAMNTHXNSLVQDP-HRCADAONSA-N 1 0 322.449 2.053 50 0 DEAARO COCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000096000090 402045421 /nfs/dbraw/zinc/04/54/21/402045421.db2.gz WNWIPNNUJHLSGX-AWEZNQCLSA-N 1 0 320.437 2.364 50 0 DEAARO C[NH+](C)CCCNC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000052979693 402049513 /nfs/dbraw/zinc/04/95/13/402049513.db2.gz AIUAPPFCEUHDMV-UHFFFAOYSA-N 1 0 313.401 2.342 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000053154515 402051398 /nfs/dbraw/zinc/05/13/98/402051398.db2.gz IEVCLFQFEVZGRH-CQSZACIVSA-N 1 0 306.454 2.490 50 0 DEAARO Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000055089798 402075300 /nfs/dbraw/zinc/07/53/00/402075300.db2.gz XAURDIDTFFTYBH-GFCCVEGCSA-N 1 0 323.824 2.140 50 0 DEAARO COCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000096413159 402080645 /nfs/dbraw/zinc/08/06/45/402080645.db2.gz KBDIYCLCJVBIMI-WBVHZDCISA-N 1 0 304.434 2.392 50 0 DEAARO Cc1ccc2nc(C)c(C(=O)N3CCO[C@@H](CC[NH3+])C3)cc2c1 ZINC000055402978 402081745 /nfs/dbraw/zinc/08/17/45/402081745.db2.gz XTNZESLLSURLLU-HNNXBMFYSA-N 1 0 313.401 2.041 50 0 DEAARO Fc1cc(C[NH2+]C2CCN(C3CC3)CC2)ccc1-n1cncn1 ZINC000055472574 402082510 /nfs/dbraw/zinc/08/25/10/402082510.db2.gz HJJUAYTVFNCWTH-UHFFFAOYSA-N 1 0 315.396 2.123 50 0 DEAARO O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000152245962 402084402 /nfs/dbraw/zinc/08/44/02/402084402.db2.gz OHRAXFYBCRVZEE-KSZLIROESA-N 1 0 316.445 2.318 50 0 DEAARO COc1cc(C)c(C[NH2+]C[C@H](C)N2CCOC[C@@H]2C)cc1OC ZINC000096459560 402091827 /nfs/dbraw/zinc/09/18/27/402091827.db2.gz WKLVOIPHBZQCPR-GJZGRUSLSA-N 1 0 322.449 2.211 50 0 DEAARO CCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000096491541 402095645 /nfs/dbraw/zinc/09/56/45/402095645.db2.gz AOOWBQVPTNZYTQ-ZDUSSCGKSA-N 1 0 308.447 2.308 50 0 DEAARO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000096491656 402095652 /nfs/dbraw/zinc/09/56/52/402095652.db2.gz UNWWRLYPZQYZPA-RDJZCZTQSA-N 1 0 323.458 2.109 50 0 DEAARO CC1(C)[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)[C@@H]2CCO[C@@H]21 ZINC000096493524 402096565 /nfs/dbraw/zinc/09/65/65/402096565.db2.gz CAZSVLHAQZIACV-WTTBNOFXSA-N 1 0 301.434 2.454 50 0 DEAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000058264241 402099640 /nfs/dbraw/zinc/09/96/40/402099640.db2.gz UUTDKWUYHTTZIP-AWEZNQCLSA-N 1 0 315.373 2.464 50 0 DEAARO C[C@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000097037666 402101458 /nfs/dbraw/zinc/10/14/58/402101458.db2.gz JXTIBVBVLGMCJF-ZDUSSCGKSA-N 1 0 316.405 2.389 50 0 DEAARO CC(C)Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(=O)[nH]1 ZINC000097045172 402101957 /nfs/dbraw/zinc/10/19/57/402101957.db2.gz BKTHABGTNZLDKY-CZUORRHYSA-N 1 0 319.449 2.128 50 0 DEAARO C[C@H](Sc1nnnn1CC[NH+](C)C)c1nc2ccccc2o1 ZINC000097046751 402102388 /nfs/dbraw/zinc/10/23/88/402102388.db2.gz UXDJLJAQKGDZJM-JTQLQIEISA-N 1 0 318.406 2.229 50 0 DEAARO Cc1ccc(CCNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000097049385 402102773 /nfs/dbraw/zinc/10/27/73/402102773.db2.gz XGQDMBUCGATYNH-IRXDYDNUSA-N 1 0 316.449 2.058 50 0 DEAARO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccc(NC(C)=O)cc1)C2 ZINC000097084963 402105652 /nfs/dbraw/zinc/10/56/52/402105652.db2.gz MGJUZQJCBQWIJW-QAPCUYQASA-N 1 0 316.401 2.420 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)NCc1cccc(-c2ccccc2)c1 ZINC000097117069 402109991 /nfs/dbraw/zinc/10/99/91/402109991.db2.gz VWNCKRKPFKLRQW-GOSISDBHSA-N 1 0 310.397 2.348 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)cc1F ZINC000097165425 402114092 /nfs/dbraw/zinc/11/40/92/402114092.db2.gz BIMHJGYUVDLABY-LLVKDONJSA-N 1 0 318.389 2.036 50 0 DEAARO COc1ccc(CC[N@@H+]2CCc3ncnc(N(C)C)c3C2)cc1 ZINC000097201913 402116699 /nfs/dbraw/zinc/11/66/99/402116699.db2.gz FRNNVYZSWWDYJJ-UHFFFAOYSA-N 1 0 312.417 2.152 50 0 DEAARO Cc1nc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cs1 ZINC000096137521 402061612 /nfs/dbraw/zinc/06/16/12/402061612.db2.gz FPGFDFQLMJMLPM-UHFFFAOYSA-N 1 0 311.476 2.105 50 0 DEAARO Cc1ccc(NC(=O)N2CCC[C@](CO)(C[NH+](C)C)C2)cc1F ZINC000096162790 402064140 /nfs/dbraw/zinc/06/41/40/402064140.db2.gz KFOYMHFNLNGAJD-KRWDZBQOSA-N 1 0 323.412 2.302 50 0 DEAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000096162048 402064217 /nfs/dbraw/zinc/06/42/17/402064217.db2.gz AKETVTAQCDXNSH-ZDUSSCGKSA-N 1 0 313.401 2.480 50 0 DEAARO Cn1ncc2c1ncnc2N1CCC(C[NH+]2CCCCC2)CC1 ZINC000065439618 402124956 /nfs/dbraw/zinc/12/49/56/402124956.db2.gz UOGJRASTXPZZCD-UHFFFAOYSA-N 1 0 314.437 2.066 50 0 DEAARO C[NH+]1CCC(O)(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000097546601 402126785 /nfs/dbraw/zinc/12/67/85/402126785.db2.gz NIBVTGMAEAOEFU-DLBZAZTESA-N 1 0 316.445 2.286 50 0 DEAARO CC(=O)c1cc(CN2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000097515067 402127055 /nfs/dbraw/zinc/12/70/55/402127055.db2.gz LEVQIHJNZFREAE-UHFFFAOYSA-N 1 0 308.447 2.247 50 0 DEAARO Cc1cc(-n2nc(-c3ccncc3)nc2[C@H]2COCCO2)cc[nH+]1 ZINC000097610098 402128450 /nfs/dbraw/zinc/12/84/50/402128450.db2.gz LUBQPDWUAAODAK-OAHLLOKOSA-N 1 0 323.356 2.121 50 0 DEAARO Cc1ccn2cc(C(=O)NCC[NH+]3CCCCCC3)nc2c1 ZINC000097939009 402133198 /nfs/dbraw/zinc/13/31/98/402133198.db2.gz FVQYBZJPLCJVRL-UHFFFAOYSA-N 1 0 300.406 2.249 50 0 DEAARO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)[C@H]2CCO[C@@H]21 ZINC000153618978 402156936 /nfs/dbraw/zinc/15/69/36/402156936.db2.gz VVHHGIRHDJVRCF-FPCVCCKLSA-N 1 0 300.402 2.195 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000124711991 402193514 /nfs/dbraw/zinc/19/35/14/402193514.db2.gz HYPURGOTCVKTTP-LLVKDONJSA-N 1 0 319.405 2.307 50 0 DEAARO C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccnn2C)CC1 ZINC000103974082 402195839 /nfs/dbraw/zinc/19/58/39/402195839.db2.gz MEYICUPYOBYAHG-ZDUSSCGKSA-N 1 0 316.380 2.078 50 0 DEAARO CC(C)c1ccc(/C=C/C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000067511390 402160895 /nfs/dbraw/zinc/16/08/95/402160895.db2.gz VJLGXASZCRDSGN-RMKNXTFCSA-N 1 0 315.461 2.187 50 0 DEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3c2OCC3)C1 ZINC000067560934 402162566 /nfs/dbraw/zinc/16/25/66/402162566.db2.gz XPQHDFVYRIWLCG-CQSZACIVSA-N 1 0 302.418 2.329 50 0 DEAARO COc1ccc(O)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000067846692 402174932 /nfs/dbraw/zinc/17/49/32/402174932.db2.gz KJROJMMYOSVMBU-ZDUSSCGKSA-N 1 0 306.406 2.109 50 0 DEAARO CN1CC[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000106828566 402216950 /nfs/dbraw/zinc/21/69/50/402216950.db2.gz MMZKEXQIZUZBHD-CRAIPNDOSA-N 1 0 309.413 2.426 50 0 DEAARO Cc1sc2ncnc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1C ZINC000106839959 402217328 /nfs/dbraw/zinc/21/73/28/402217328.db2.gz XUFASJDMKLYYLW-WDEREUQCSA-N 1 0 320.462 2.199 50 0 DEAARO COCC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000069584041 402232107 /nfs/dbraw/zinc/23/21/07/402232107.db2.gz YANYEJVYDGLYJL-UHFFFAOYSA-N 1 0 304.312 2.013 50 0 DEAARO CCc1nc(CN2CCC[C@H]([NH2+]Cc3cccs3)C2)no1 ZINC000069571667 402232397 /nfs/dbraw/zinc/23/23/97/402232397.db2.gz CCTDPZYYALPNTA-LBPRGKRZSA-N 1 0 306.435 2.448 50 0 DEAARO Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H](C)[NH+](C)C)c2)n1 ZINC000069625935 402235070 /nfs/dbraw/zinc/23/50/70/402235070.db2.gz STNAWTSOGSIPHM-HNNXBMFYSA-N 1 0 314.433 2.228 50 0 DEAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069660991 402237794 /nfs/dbraw/zinc/23/77/94/402237794.db2.gz TVQBYQNVJPVBMC-AWEZNQCLSA-N 1 0 308.389 2.194 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)CSc2cccc(OC)c2)CC1 ZINC000069809095 402244911 /nfs/dbraw/zinc/24/49/11/402244911.db2.gz FAJDQXUGLVICLZ-UHFFFAOYSA-N 1 0 308.447 2.342 50 0 DEAARO CC[C@@H]1CN(CCOc2cccc(C)c2)CC[N@@H+]1CCOC ZINC000069840503 402246226 /nfs/dbraw/zinc/24/62/26/402246226.db2.gz DLTYUCVAIJGLDW-QGZVFWFLSA-N 1 0 306.450 2.416 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 ZINC000069848159 402247686 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COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000194070015 402783590 /nfs/dbraw/zinc/78/35/90/402783590.db2.gz VRDSJJSYCTZBCC-OAHLLOKOSA-N 1 0 311.809 2.394 50 0 DEAARO O=C(NCCOCc1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000195533323 402850641 /nfs/dbraw/zinc/85/06/41/402850641.db2.gz XKJAZWCPPASTPZ-SJORKVTESA-N 1 0 317.433 2.129 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000195558618 402850942 /nfs/dbraw/zinc/85/09/42/402850942.db2.gz SQDGKJAGHQPGLN-RRFJBIMHSA-N 1 0 310.438 2.303 50 0 DEAARO COc1cccc(OC)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000195564240 402851039 /nfs/dbraw/zinc/85/10/39/402851039.db2.gz KVRFKKBBRWXPDT-KBPBESRZSA-N 1 0 318.417 2.260 50 0 DEAARO CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000265910553 402961445 /nfs/dbraw/zinc/96/14/45/402961445.db2.gz XMSYNOVPUSICNY-CABCVRRESA-N 1 0 310.463 2.198 50 0 DEAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(N)n2)cc1 ZINC000272341994 402926069 /nfs/dbraw/zinc/92/60/69/402926069.db2.gz 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CSc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)o1 ZINC000585118677 405870948 /nfs/dbraw/zinc/87/09/48/405870948.db2.gz XZSZMXXNOHXLNF-ZYHUDNBSSA-N 1 0 303.449 2.447 50 0 DEAARO Cc1csc(C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000575606824 406813595 /nfs/dbraw/zinc/81/35/95/406813595.db2.gz MHEXQLXEPUYKBG-AWEZNQCLSA-N 1 0 308.447 2.287 50 0 DEAARO COCCNC(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575619491 406815390 /nfs/dbraw/zinc/81/53/90/406815390.db2.gz FYVLNPOFMFQGQM-AWEZNQCLSA-N 1 0 321.446 2.450 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000299740021 229374120 /nfs/dbraw/zinc/37/41/20/229374120.db2.gz USRPDOSZARZJHD-UHTWSYAYSA-N 1 0 317.216 2.270 50 0 DEAARO CCOc1ncccc1NC(=O)NCCCC[NH+]1CCCC1 ZINC000048200675 424830912 /nfs/dbraw/zinc/83/09/12/424830912.db2.gz GHDYVGOLHFCKBD-UHFFFAOYSA-N 1 0 306.410 2.478 50 0 DEAARO COc1ccccc1OCC[N@H+](C)CCn1c(C)csc1=O ZINC000044976876 424815445 /nfs/dbraw/zinc/81/54/45/424815445.db2.gz IHKCMGMWPPIONR-UHFFFAOYSA-N 1 0 322.430 2.238 50 0 DEAARO CC[N@H+](CCOC[C@@H]1CCCO1)C[C@H]1COc2ccccc2O1 ZINC000107501349 424850379 /nfs/dbraw/zinc/85/03/79/424850379.db2.gz RIPPSRILOKIQDE-HOTGVXAUSA-N 1 0 321.417 2.344 50 0 DEAARO O[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)COc1ccc(F)c(F)c1 ZINC000657871810 425411950 /nfs/dbraw/zinc/41/19/50/425411950.db2.gz CIRKHPQLLZGXNB-NEPJUHHUSA-N 1 0 313.344 2.006 50 0 DEAARO COC(=O)c1ccc(/C=C\C(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000106788529 277153894 /nfs/dbraw/zinc/15/38/94/277153894.db2.gz SZUBPEUBIWNOMV-CXOKCQFOSA-N 1 0 316.401 2.085 50 0 DEAARO COC(=O)[C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(=Cc3ccccc3)CC2)C1 ZINC000229859335 277370255 /nfs/dbraw/zinc/37/02/55/277370255.db2.gz NDMKNCINCILARU-BZSNNMDCSA-N 1 0 315.413 2.478 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000070173588 278313338 /nfs/dbraw/zinc/31/33/38/278313338.db2.gz VGWDWRJGCNZLNI-NXEZZACHSA-N 1 0 320.817 2.227 50 0 DEAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)[C@H]1C[NH3+] ZINC000252202430 278343696 /nfs/dbraw/zinc/34/36/96/278343696.db2.gz UJEVTHCZDHFVNZ-IUCAKERBSA-N 1 0 308.856 2.149 50 0 DEAARO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000237429693 278350094 /nfs/dbraw/zinc/35/00/94/278350094.db2.gz RRSKRWJWRJRGCQ-CRAIPNDOSA-N 1 0 311.429 2.151 50 0 DEAARO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097234105 278359324 /nfs/dbraw/zinc/35/93/24/278359324.db2.gz LXXLCRKSJPJKPN-OCCSQVGLSA-N 1 0 308.426 2.298 50 0 DEAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C1([NH3+])CC1 ZINC000091780351 278572684 /nfs/dbraw/zinc/57/26/84/278572684.db2.gz VLCAWZVFFYCFHT-ZDUSSCGKSA-N 1 0 316.449 2.395 50 0 DEAARO Cc1nnc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000055196948 279228067 /nfs/dbraw/zinc/22/80/67/279228067.db2.gz XDZYQININMOAJD-UHFFFAOYSA-N 1 0 309.439 2.329 50 0 DEAARO O=C(CN1CCC[C@H]([NH+]2CCCCCC2)C1)NCC(F)(F)F ZINC000069973471 279769528 /nfs/dbraw/zinc/76/95/28/279769528.db2.gz VFQHYKGVPZSFIO-ZDUSSCGKSA-N 1 0 321.387 2.005 50 0 DEAARO Cc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)nc(N)[nH+]1 ZINC000069532329 280553099 /nfs/dbraw/zinc/55/30/99/280553099.db2.gz DCYRTJLOIMTRGU-CYBMUJFWSA-N 1 0 312.373 2.480 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000237641624 292657847 /nfs/dbraw/zinc/65/78/47/292657847.db2.gz VSJHTOPRGOZUMM-INMHGKMJSA-N 1 0 302.418 2.412 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131743940 288515255 /nfs/dbraw/zinc/51/52/55/288515255.db2.gz JYUQYJAKBCUQAH-BDAKNGLRSA-N 1 0 323.245 2.494 50 0 DEAARO CS(=O)(=O)NCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000221868667 295526907 /nfs/dbraw/zinc/52/69/07/295526907.db2.gz DCXCYAXWFSWESW-HOTGVXAUSA-N 1 0 310.463 2.242 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(F)c1 ZINC000237400725 301666054 /nfs/dbraw/zinc/66/60/54/301666054.db2.gz AJJYJLVFKFDYEE-YPMHNXCESA-N 1 0 300.399 2.025 50 0 DEAARO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC(CC(F)F)C1 ZINC000575742709 326241976 /nfs/dbraw/zinc/24/19/76/326241976.db2.gz 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534131531 /nfs/dbraw/zinc/13/15/31/534131531.db2.gz YPMFMGUBLZJKFP-DJIMGWMZSA-N 1 0 306.475 2.280 50 0 DEAARO c1nc([C@@H]2CCOC2)cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000426399051 534533239 /nfs/dbraw/zinc/53/32/39/534533239.db2.gz ONHJPKDRVYYLJC-CQSZACIVSA-N 1 0 302.422 2.045 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@H]2CCN(C(C)=O)C[C@H]2CC)n1 ZINC000240225338 528792472 /nfs/dbraw/zinc/79/24/72/528792472.db2.gz DHGZNGYFJVVWAV-YUTCNCBUSA-N 1 0 308.426 2.320 50 0 DEAARO CCN(C)c1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cn1 ZINC000012431154 636052516 /nfs/dbraw/zinc/05/25/16/636052516.db2.gz HPMQKJZWNYKHKA-OAHLLOKOSA-N 1 0 318.465 2.245 50 0 DEAARO Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)cn1 ZINC000012435502 636052835 /nfs/dbraw/zinc/05/28/35/636052835.db2.gz BXQZWPRPVHXFEO-KRWDZBQOSA-N 1 0 310.401 2.179 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCn2cccn2)c(F)c1 ZINC000012446268 636636464 /nfs/dbraw/zinc/63/64/64/636636464.db2.gz CQAJYUZTKIKWCM-UHFFFAOYSA-N 1 0 315.352 2.211 50 0 DEAARO COc1cc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)on1 ZINC000820815507 647923814 /nfs/dbraw/zinc/92/38/14/647923814.db2.gz TWKLCUHGDRPCTI-SNVBAGLBSA-N 1 0 309.391 2.215 50 0 DEAARO COC1(OC)CC[N@H+](Cc2ccc3ccccc3c2)C[C@H]1O ZINC000874434836 648090615 /nfs/dbraw/zinc/09/06/15/648090615.db2.gz FQJUJBWQUJFQRT-QGZVFWFLSA-N 1 0 301.386 2.396 50 0 DEAARO CN(C)S(=O)(=O)CCC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000352352406 685340929 /nfs/dbraw/zinc/34/09/29/685340929.db2.gz IFBDTRNWRBTXRU-UHFFFAOYSA-N 1 0 322.474 2.205 50 0 DEAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000000202157 683829749 /nfs/dbraw/zinc/82/97/49/683829749.db2.gz BXXWVJIYUVVGCD-OAHLLOKOSA-N 1 0 320.433 2.481 50 0 DEAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCCC1 ZINC000012704196 683843978 /nfs/dbraw/zinc/84/39/78/683843978.db2.gz XYFNURMDGUEVHD-GOSISDBHSA-N 1 0 308.466 2.406 50 0 DEAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CC1CC1)C2 ZINC000014540284 683849063 /nfs/dbraw/zinc/84/90/63/683849063.db2.gz KLKKYNYWLXPPNJ-AWEZNQCLSA-N 1 0 318.465 2.098 50 0 DEAARO OCC1CCN([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000020542295 683858781 /nfs/dbraw/zinc/85/87/81/683858781.db2.gz HBXSXTKKGHRKMA-LJQANCHMSA-N 1 0 314.473 2.323 50 0 DEAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCc2ncccc2C1 ZINC000072130647 683927406 /nfs/dbraw/zinc/92/74/06/683927406.db2.gz QSJRRKXTPAGMMG-AWEZNQCLSA-N 1 0 307.397 2.357 50 0 DEAARO Cn1cc([C@H](O)C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cn1 ZINC000863982349 686602400 /nfs/dbraw/zinc/60/24/00/686602400.db2.gz DVUYFXSEVZQPLC-KFWWJZLASA-N 1 0 307.438 2.169 50 0 DEAARO O=C(N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1)[C@H]1CCCO1 ZINC000585125034 790318754 /nfs/dbraw/zinc/31/87/54/790318754.db2.gz DPKSRQUOWCCLAH-KURKYZTESA-N 1 0 314.429 2.434 50 0 DEAARO Cc1cccc([C@H](C)[N@H+](C)CCn2cnc3c2ncnc3N)c1 ZINC000585133181 790330728 /nfs/dbraw/zinc/33/07/28/790330728.db2.gz ZIBLHZUIRMITLR-ZDUSSCGKSA-N 1 0 310.405 2.410 50 0 DEAARO CCn1ccc(C(=O)N2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)n1 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CCC[C@H]([NH3+])CNC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000225487237 201720205 /nfs/dbraw/zinc/72/02/05/201720205.db2.gz QTXHBWUPAWGXLU-ZDUSSCGKSA-N 1 0 308.422 2.225 50 0 DEAARO Cc1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCn4ccnc43)C2=O)cc1 ZINC000084150602 539393191 /nfs/dbraw/zinc/39/31/91/539393191.db2.gz CPSATAICTFQLPE-WBVHZDCISA-N 1 0 324.428 2.464 50 0 DEAARO C[N@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(CO)CO ZINC000084638231 539397416 /nfs/dbraw/zinc/39/74/16/539397416.db2.gz MDJPOSPFWYOTAJ-UHFFFAOYSA-N 1 0 308.809 2.311 50 0 DEAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000084736338 539398406 /nfs/dbraw/zinc/39/84/06/539398406.db2.gz DSQLLZBVEGTICX-CZUORRHYSA-N 1 0 308.422 2.145 50 0 DEAARO CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085820286 539402412 /nfs/dbraw/zinc/40/24/12/539402412.db2.gz MDRJNUURNUJDFF-CABCVRRESA-N 1 0 302.484 2.170 50 0 DEAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2(CN3CCOCC3)CCCC2)n1 ZINC000067872415 190730522 /nfs/dbraw/zinc/73/05/22/190730522.db2.gz 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Cc1nc(-c2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)cs1 ZINC000072153314 191057176 /nfs/dbraw/zinc/05/71/76/191057176.db2.gz QTCUEELPAWTCKO-CQSZACIVSA-N 1 0 317.414 2.436 50 0 DEAARO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072154164 191059879 /nfs/dbraw/zinc/05/98/79/191059879.db2.gz FLQQKOAUVYWUQM-PMPSAXMXSA-N 1 0 318.461 2.036 50 0 DEAARO CCc1nc(C)sc1C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072164701 191064973 /nfs/dbraw/zinc/06/49/73/191064973.db2.gz WFWOBENEISIXLX-CYBMUJFWSA-N 1 0 323.462 2.043 50 0 DEAARO O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072166666 191066718 /nfs/dbraw/zinc/06/67/18/191066718.db2.gz GOFKWXTXUUCZNM-AWEZNQCLSA-N 1 0 324.380 2.422 50 0 DEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)ccc1F ZINC000072168918 191067788 /nfs/dbraw/zinc/06/77/88/191067788.db2.gz VRYFKQXIWAHKNS-MRXNPFEDSA-N 1 0 320.408 2.195 50 0 DEAARO C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(F)c1)CC2 ZINC000072171492 191070073 /nfs/dbraw/zinc/07/00/73/191070073.db2.gz BJUGUOXFVYMLQD-HNNXBMFYSA-N 1 0 306.381 2.197 50 0 DEAARO Cc1nc(COc2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2)cs1 ZINC000152407327 186069374 /nfs/dbraw/zinc/06/93/74/186069374.db2.gz SSZDPFBTAHLAMX-ZDUSSCGKSA-N 1 0 317.414 2.204 50 0 DEAARO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000072281275 191102123 /nfs/dbraw/zinc/10/21/23/191102123.db2.gz OGQUVRYVOBYWMA-CABCVRRESA-N 1 0 308.809 2.011 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@@H]1C[NH3+] ZINC000237441216 186289134 /nfs/dbraw/zinc/28/91/34/186289134.db2.gz VRWRFIULLQYXCD-MLGOLLRUSA-N 1 0 316.380 2.211 50 0 DEAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CNC(=O)O3)C1)CCC2 ZINC000072425050 191159648 /nfs/dbraw/zinc/15/96/48/191159648.db2.gz BQVBSPAJDLNSDQ-GOSISDBHSA-N 1 0 316.401 2.258 50 0 DEAARO Fc1ccccc1-c1cc(N2CCC[NH2+]CC2)n2nccc2n1 ZINC000072431969 191163894 /nfs/dbraw/zinc/16/38/94/191163894.db2.gz YNUCLPKPTCWAIM-UHFFFAOYSA-N 1 0 311.364 2.335 50 0 DEAARO c1nn(CCCNc2ncnc3c2CC[NH2+]CC3)c2ccccc12 ZINC000072453746 191171057 /nfs/dbraw/zinc/17/10/57/191171057.db2.gz XKQZYLJWLAIHCV-UHFFFAOYSA-N 1 0 322.416 2.017 50 0 DEAARO CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000072794522 191229666 /nfs/dbraw/zinc/22/96/66/191229666.db2.gz PWGFNXILOHDUAY-KBPBESRZSA-N 1 0 303.431 2.410 50 0 DEAARO C[C@H](CCc1ccccc1)NC(=O)CN(C)C1CC[NH+](C)CC1 ZINC000002632819 180941450 /nfs/dbraw/zinc/94/14/50/180941450.db2.gz ZYKLQNXERKHGAV-MRXNPFEDSA-N 1 0 317.477 2.150 50 0 DEAARO CCc1cccc(NC(=O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000049969076 354364948 /nfs/dbraw/zinc/36/49/48/354364948.db2.gz DPUDGOLHDRTSFR-UHFFFAOYSA-N 1 0 303.450 2.461 50 0 DEAARO CC[NH+]1CCC(N(CCCO)C(=O)Nc2ccccc2)CC1 ZINC000004556366 181124121 /nfs/dbraw/zinc/12/41/21/181124121.db2.gz SBFCUSWYPRMZLR-UHFFFAOYSA-N 1 0 305.422 2.387 50 0 DEAARO CCc1n[nH]cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000067267705 354754528 /nfs/dbraw/zinc/75/45/28/354754528.db2.gz GVCMFJSOPDWFNE-MRXNPFEDSA-N 1 0 300.406 2.313 50 0 DEAARO COc1ncccc1C(=O)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC000618256991 363432958 /nfs/dbraw/zinc/43/29/58/363432958.db2.gz NXGPSZFZBJMSBB-CYBMUJFWSA-N 1 0 317.414 2.156 50 0 DEAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1cccc(OC(F)F)c1 ZINC000075134321 355071043 /nfs/dbraw/zinc/07/10/43/355071043.db2.gz NNWWXEFICJDJEH-CYBMUJFWSA-N 1 0 312.360 2.241 50 0 DEAARO CCc1nc(CN2CCC[N@@H+]([C@@H](C)c3cccnc3)CC2)no1 ZINC000075603269 355096163 /nfs/dbraw/zinc/09/61/63/355096163.db2.gz UTRSTJHJXNAXPR-AWEZNQCLSA-N 1 0 315.421 2.296 50 0 DEAARO C[N@@H+]1CC[C@H](CNC(=O)CCCC(=O)c2ccc(F)cc2)C1 ZINC000075610251 355097085 /nfs/dbraw/zinc/09/70/85/355097085.db2.gz RQPIJDLFWSILHF-CYBMUJFWSA-N 1 0 306.381 2.247 50 0 DEAARO CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000074758852 191356578 /nfs/dbraw/zinc/35/65/78/191356578.db2.gz KZIONSYMPNOCGX-HOTGVXAUSA-N 1 0 311.470 2.317 50 0 DEAARO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)C(N)=O ZINC000075610823 191500216 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CC1(C)[C@H]([NH2+]CC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000123702771 355805694 /nfs/dbraw/zinc/80/56/94/355805694.db2.gz ZKJQFWSJSQYDHQ-JKSUJKDBSA-N 1 0 302.418 2.017 50 0 DEAARO CC1=CC(C)=[NH+]c2ccc(S(=O)(=O)N3CCOCC3)cc2N1 ZINC000136298041 355867674 /nfs/dbraw/zinc/86/76/74/355867674.db2.gz DMSPOKLRCBFGIR-UHFFFAOYSA-N 1 0 321.402 2.129 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000005210325 181217246 /nfs/dbraw/zinc/21/72/46/181217246.db2.gz WHISCSWJOZTWJH-CYBMUJFWSA-N 1 0 300.406 2.096 50 0 DEAARO C[NH+]1CCC(Oc2ncccc2NC(=O)c2ccncc2)CC1 ZINC000169749343 355979631 /nfs/dbraw/zinc/97/96/31/355979631.db2.gz NVYLJOQNZRVVNW-UHFFFAOYSA-N 1 0 312.373 2.202 50 0 DEAARO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000170604367 355987839 /nfs/dbraw/zinc/98/78/39/355987839.db2.gz VJFMRWKUJQPHEF-GDBMZVCRSA-N 1 0 314.495 2.335 50 0 DEAARO CN(CC1([NH+](C)C)CCC1)C(=O)Nc1nnc(C(F)F)s1 ZINC000187871315 356214249 /nfs/dbraw/zinc/21/42/49/356214249.db2.gz 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CCOC(=O)[C@@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000006701753 181373615 /nfs/dbraw/zinc/37/36/15/181373615.db2.gz UVOIMGPLDNFPEN-CQSZACIVSA-N 1 0 307.390 2.349 50 0 DEAARO O=C(c1ccc(CO)o1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091411511 193052360 /nfs/dbraw/zinc/05/23/60/193052360.db2.gz RJYQHWPKZBYKHZ-HUUCEWRRSA-N 1 0 318.417 2.108 50 0 DEAARO O=C1NCCC[C@@]12CC[N@H+](CCCOCc1ccccc1)C2 ZINC000091587175 193075419 /nfs/dbraw/zinc/07/54/19/193075419.db2.gz FRKDUNQUINOCTK-SFHVURJKSA-N 1 0 302.418 2.195 50 0 DEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(OC)ccc1O)C2 ZINC000091616430 193079180 /nfs/dbraw/zinc/07/91/80/193079180.db2.gz WOGLRIADZGUFBO-ZIAGYGMSSA-N 1 0 318.417 2.347 50 0 DEAARO COCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091706998 193094727 /nfs/dbraw/zinc/09/47/27/193094727.db2.gz AYPCVCNEPQEDQV-ZWKOTPCHSA-N 1 0 316.445 2.188 50 0 DEAARO O=c1cc(C[NH2+]Cc2ccc(CO)cc2)[nH]c2c(F)cccc12 ZINC000091620332 193080301 /nfs/dbraw/zinc/08/03/01/193080301.db2.gz 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Cc1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)ccc1C(C)C ZINC000019721126 182138263 /nfs/dbraw/zinc/13/82/63/182138263.db2.gz CHLYOUYAVJEDKQ-INIZCTEOSA-N 1 0 306.450 2.106 50 0 DEAARO COc1ccccc1CN1CCC[C@H](C[NH2+]CCN(C)C)C1 ZINC000019735522 182140274 /nfs/dbraw/zinc/14/02/74/182140274.db2.gz OZPAOOQAVTXKOP-MRXNPFEDSA-N 1 0 305.466 2.058 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019851274 182157622 /nfs/dbraw/zinc/15/76/22/182157622.db2.gz QADKCMINPNJPLP-QGZVFWFLSA-N 1 0 316.426 2.160 50 0 DEAARO CCOc1ccccc1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000019877309 182160076 /nfs/dbraw/zinc/16/00/76/182160076.db2.gz BAQBNHHWXRGKPC-UHFFFAOYSA-N 1 0 317.477 2.297 50 0 DEAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cn1cccn1 ZINC000097675223 193745517 /nfs/dbraw/zinc/74/55/17/193745517.db2.gz HOVGRRIWOJXYGC-KRWDZBQOSA-N 1 0 312.417 2.032 50 0 DEAARO Cc1ccc(-n2ncc3c2ncnc3NCCC[NH+](C)C)cc1 ZINC000020662026 182242390 /nfs/dbraw/zinc/24/23/90/182242390.db2.gz DLQXNEFMZCKKOT-UHFFFAOYSA-N 1 0 310.405 2.488 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ZINC000106772101 194250477 /nfs/dbraw/zinc/25/04/77/194250477.db2.gz VNLJBMSTFRHBDY-UONOGXRCSA-N 1 0 308.422 2.472 50 0 DEAARO O=C(Cc1cccc(Br)c1)NC[C@H]1CCC[NH2+]C1 ZINC000050041931 183768954 /nfs/dbraw/zinc/76/89/54/183768954.db2.gz FYVIKINASAOUFH-LBPRGKRZSA-N 1 0 311.223 2.107 50 0 DEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csnn3)CC2)cc1 ZINC000056407753 184012341 /nfs/dbraw/zinc/01/23/41/184012341.db2.gz QCDMYKQOFNFPER-UHFFFAOYSA-N 1 0 316.430 2.195 50 0 DEAARO COc1ccccc1CNC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000058065497 184072831 /nfs/dbraw/zinc/07/28/31/184072831.db2.gz AHMLBZXNVDNHKO-HNNXBMFYSA-N 1 0 305.422 2.321 50 0 DEAARO COCCOc1ccc(CNC(=[NH2+])Nc2ccccc2)cn1 ZINC000058245871 184094242 /nfs/dbraw/zinc/09/42/42/184094242.db2.gz RAUSEQSOIKRBBW-UHFFFAOYSA-N 1 0 300.362 2.243 50 0 DEAARO CC(C)=CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000058290471 184100719 /nfs/dbraw/zinc/10/07/19/184100719.db2.gz LMHMZQOKLQLUQB-UHFFFAOYSA-N 1 0 303.362 2.061 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccccc1-n1cccn1)CN2 ZINC000058299867 184102826 /nfs/dbraw/zinc/10/28/26/184102826.db2.gz AMBQWAAIOWQNMF-HNNXBMFYSA-N 1 0 322.416 2.209 50 0 DEAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(C)c1 ZINC000058440325 184118985 /nfs/dbraw/zinc/11/89/85/184118985.db2.gz KTXCCORTPCMMRD-MRXNPFEDSA-N 1 0 324.490 2.373 50 0 DEAARO C[NH+]1CCN(CCCNC(=O)CCc2ccccc2Cl)CC1 ZINC000061524394 184172596 /nfs/dbraw/zinc/17/25/96/184172596.db2.gz AROJKSJTFCWJNP-UHFFFAOYSA-N 1 0 323.868 2.026 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 ZINC000158410843 197269830 /nfs/dbraw/zinc/26/98/30/197269830.db2.gz JNHINEORDZZQCY-LBPRGKRZSA-N 1 0 311.223 2.331 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063194058 184277585 /nfs/dbraw/zinc/27/75/85/184277585.db2.gz MUIQAHAXDLVVDL-DGCLKSJQSA-N 1 0 300.399 2.025 50 0 DEAARO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000063991155 184291416 /nfs/dbraw/zinc/29/14/16/184291416.db2.gz FECNMPAXHFTOIH-CQSZACIVSA-N 1 0 319.405 2.087 50 0 DEAARO CC[C@H](COC)NC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065374380 184331572 /nfs/dbraw/zinc/33/15/72/184331572.db2.gz MYWFXABBJTVNHB-OAHLLOKOSA-N 1 0 320.433 2.037 50 0 DEAARO CCNC(=O)N1CCC([NH2+][C@@H](C)COc2ccccc2)CC1 ZINC000065408351 184339465 /nfs/dbraw/zinc/33/94/65/184339465.db2.gz HFEJXIFFSKGNMI-AWEZNQCLSA-N 1 0 305.422 2.237 50 0 DEAARO CCC1CCC([N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000065419273 184341652 /nfs/dbraw/zinc/34/16/52/184341652.db2.gz SIATXLWOWGSOIC-UHFFFAOYSA-N 1 0 303.410 2.470 50 0 DEAARO O=C1CCC(c2ccccc2)=NN1CC[NH2+][C@@H]1CCSC1 ZINC000065424895 184342592 /nfs/dbraw/zinc/34/25/92/184342592.db2.gz BPMHPDXEDMTALM-CQSZACIVSA-N 1 0 303.431 2.108 50 0 DEAARO CC(C)Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)no1 ZINC000065432999 184343835 /nfs/dbraw/zinc/34/38/35/184343835.db2.gz WCGIEHMELYHMGX-OAHLLOKOSA-N 1 0 311.451 2.040 50 0 DEAARO CC(=O)c1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000065459679 184348608 /nfs/dbraw/zinc/34/86/08/184348608.db2.gz DXLAUUUGGMZXIA-HNNXBMFYSA-N 1 0 318.417 2.455 50 0 DEAARO COc1ccc(OCC[N@@H+]2CCC[C@H]2Cn2cccn2)cc1 ZINC000065489898 184353336 /nfs/dbraw/zinc/35/33/36/184353336.db2.gz HUILSNAPJBAKPZ-HNNXBMFYSA-N 1 0 301.390 2.435 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)c1ccn(-c2cccc(F)c2)n1 ZINC000065404110 184337784 /nfs/dbraw/zinc/33/77/84/184337784.db2.gz PDSFUGNLJDBSEE-UHFFFAOYSA-N 1 0 316.380 2.227 50 0 DEAARO COc1ccc2oc(CNC(=O)C[NH+]3CCCCCC3)nc2c1 ZINC000065526036 184359482 /nfs/dbraw/zinc/35/94/82/184359482.db2.gz NEFPLLJLGPWWSJ-UHFFFAOYSA-N 1 0 317.389 2.329 50 0 DEAARO Cc1cc(C)cc(OC[C@@H](O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000065578590 184368230 /nfs/dbraw/zinc/36/82/30/184368230.db2.gz YCYPLSAUQOOEBK-SFHVURJKSA-N 1 0 320.477 2.317 50 0 DEAARO CCN(Cc1cnn(CC)c1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065495989 184355084 /nfs/dbraw/zinc/35/50/84/184355084.db2.gz WYSVHMQNNURKPQ-UHFFFAOYSA-N 1 0 324.432 2.374 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000066137424 184391703 /nfs/dbraw/zinc/39/17/03/184391703.db2.gz UKLDKVUZNURSCG-CYBMUJFWSA-N 1 0 308.422 2.093 50 0 DEAARO C[N@H+](CCN1CCOCC1)Cc1ccc(F)c2cccnc12 ZINC000065621876 184374768 /nfs/dbraw/zinc/37/47/68/184374768.db2.gz KQBQRKMIVQDMNM-UHFFFAOYSA-N 1 0 303.381 2.138 50 0 DEAARO CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158563715 197283349 /nfs/dbraw/zinc/28/33/49/197283349.db2.gz IJBBXEXWAYUIOC-WFASDCNBSA-N 1 0 312.360 2.318 50 0 DEAARO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H](C)[NH3+])cc1OC ZINC000157319614 197178688 /nfs/dbraw/zinc/17/86/88/197178688.db2.gz NPDKPFAYDSKCMY-UKRRQHHQSA-N 1 0 320.433 2.365 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1 ZINC000156414523 197111650 /nfs/dbraw/zinc/11/16/50/197111650.db2.gz GXDIJLIDRUULBU-XQCKBBLNSA-N 1 0 318.417 2.303 50 0 DEAARO O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CCN1c1ccccc1 ZINC000230128750 296433208 /nfs/dbraw/zinc/43/32/08/296433208.db2.gz FMGPWVVGYAXRFL-HZMVEIRTSA-N 1 0 300.402 2.339 50 0 DEAARO COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000237105159 257239499 /nfs/dbraw/zinc/23/94/99/257239499.db2.gz JHIUTVGWOVEUHC-UONOGXRCSA-N 1 0 306.406 2.111 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000521394646 257241141 /nfs/dbraw/zinc/24/11/41/257241141.db2.gz SQCGNJBWTGJDHC-IUODEOHRSA-N 1 0 306.454 2.037 50 0 DEAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000071837204 184862879 /nfs/dbraw/zinc/86/28/79/184862879.db2.gz FNXINBWYJPXAMO-AWEZNQCLSA-N 1 0 300.406 2.494 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]C/C=C/c1ccccc1OC)CC2 ZINC000069621210 184826625 /nfs/dbraw/zinc/82/66/25/184826625.db2.gz FBNOCAQSFRWGGG-VFADXPBXSA-N 1 0 312.417 2.467 50 0 DEAARO CCS(=O)(=O)N1CCC([NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000071924533 184907726 /nfs/dbraw/zinc/90/77/26/184907726.db2.gz LNSDUKIYCLUUML-FYWRMAATSA-N 1 0 322.474 2.494 50 0 DEAARO CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000377154149 133320309 /nfs/dbraw/zinc/32/03/09/133320309.db2.gz XPRBXRSYJSSOFQ-OLZOCXBDSA-N 1 0 317.414 2.034 50 0 DEAARO CC(=O)N(CCC[NH+](C)C)c1nc2cc3c(cc2s1)OCO3 ZINC000006931585 401734842 /nfs/dbraw/zinc/73/48/42/401734842.db2.gz FKXUNUFAPFLKHK-UHFFFAOYSA-N 1 0 321.402 2.330 50 0 DEAARO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000007459679 401740247 /nfs/dbraw/zinc/74/02/47/401740247.db2.gz WGKQOURDQMMTTB-AWEZNQCLSA-N 1 0 318.417 2.367 50 0 DEAARO O=c1cc(C[NH+]2CCCCC2)nc2ccc(Br)cn12 ZINC000007752197 401743856 /nfs/dbraw/zinc/74/38/56/401743856.db2.gz FDXNXDPPKWTNGO-UHFFFAOYSA-N 1 0 322.206 2.443 50 0 DEAARO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000007982378 401746308 /nfs/dbraw/zinc/74/63/08/401746308.db2.gz DCEWLIMBAGLBFQ-ZBFHGGJFSA-N 1 0 323.433 2.313 50 0 DEAARO CC(=O)Oc1c(C)cc(OC[C@H](O)C[NH2+]C(C)C)c(C)c1C ZINC000000000494 401687345 /nfs/dbraw/zinc/68/73/45/401687345.db2.gz BQIPXWYNLPYNHW-OAHLLOKOSA-N 1 0 309.406 2.275 50 0 fda DEAARO O=C(C[NH+]1CCCCCC1)N1CCN(c2ccccc2)CC1 ZINC000000119404 401688304 /nfs/dbraw/zinc/68/83/04/401688304.db2.gz GUXIBVVSKYLVRU-UHFFFAOYSA-N 1 0 301.434 2.211 50 0 DEAARO Cc1cnn(CC[NH2+]CCC(=O)NCc2ccccc2Cl)c1 ZINC000071877630 401691209 /nfs/dbraw/zinc/69/12/09/401691209.db2.gz MNGMNXJDBVYMPD-UHFFFAOYSA-N 1 0 320.824 2.141 50 0 DEAARO CC[C@H](O)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(OC)c1 ZINC000000238690 401691673 /nfs/dbraw/zinc/69/16/73/401691673.db2.gz WGYOXLHUEHBVOF-CVEARBPZSA-N 1 0 323.433 2.364 50 0 biogenic DEAARO COc1cccc(SCC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000071888545 401692751 /nfs/dbraw/zinc/69/27/51/401692751.db2.gz RQQSUVJYIHTIJF-CYBMUJFWSA-N 1 0 308.447 2.245 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000071903977 401694952 /nfs/dbraw/zinc/69/49/52/401694952.db2.gz ODCRKHCJLHUHCQ-ZWKOTPCHSA-N 1 0 324.428 2.171 50 0 DEAARO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000071915625 401696863 /nfs/dbraw/zinc/69/68/63/401696863.db2.gz BUDBWLGBZCIJHW-QGZVFWFLSA-N 1 0 321.440 2.373 50 0 DEAARO COc1cccc(-c2cc(C(F)F)nc(N3CC[NH2+]CC3)n2)c1 ZINC000002554303 401714823 /nfs/dbraw/zinc/71/48/23/401714823.db2.gz IHWCJMXEBIQCQQ-UHFFFAOYSA-N 1 0 320.343 2.499 50 0 DEAARO CNC(=O)CC[N@H+](C)[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000075140784 401751306 /nfs/dbraw/zinc/75/13/06/401751306.db2.gz NKZYAWZPUOHFHQ-ZDUSSCGKSA-N 1 0 318.339 2.461 50 0 DEAARO CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)cc1Cl ZINC000075260517 401756496 /nfs/dbraw/zinc/75/64/96/401756496.db2.gz WWLVVVFEIYUAJV-UHFFFAOYSA-N 1 0 316.192 2.106 50 0 DEAARO C[C@@H](C[NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000010475152 401770231 /nfs/dbraw/zinc/77/02/31/401770231.db2.gz MYCLVDVMBSSGAM-AWEZNQCLSA-N 1 0 318.442 2.270 50 0 DEAARO CCOc1c(C[NH2+]C[C@@H](C)O)cc(Br)cc1OC ZINC000010474566 401770313 /nfs/dbraw/zinc/77/03/13/401770313.db2.gz USXPOUFKFWVNQW-SECBINFHSA-N 1 0 318.211 2.327 50 0 DEAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011947422 401778173 /nfs/dbraw/zinc/77/81/73/401778173.db2.gz RUVHKDFSKVYCNK-LJQANCHMSA-N 1 0 316.445 2.456 50 0 DEAARO Cc1nc(CN(C)[C@H]2CC[N@H+](Cc3sc(C)nc3C)C2)no1 ZINC000076047366 401778383 /nfs/dbraw/zinc/77/83/83/401778383.db2.gz JCDZDYLDQOTTJC-ZDUSSCGKSA-N 1 0 321.450 2.158 50 0 DEAARO C[NH+](C)CC(=O)NCc1cccnc1Oc1ccccc1F ZINC000012302405 401783005 /nfs/dbraw/zinc/78/30/05/401783005.db2.gz VOCSZSNBOKGNEX-UHFFFAOYSA-N 1 0 303.337 2.191 50 0 DEAARO CCn1nc(C)c(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1C ZINC000077337457 401810939 /nfs/dbraw/zinc/81/09/39/401810939.db2.gz CKPMIEDUAANNHJ-MRXNPFEDSA-N 1 0 321.465 2.380 50 0 DEAARO CC(C)(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012708854 401790052 /nfs/dbraw/zinc/79/00/52/401790052.db2.gz NGBBQXQKOYLWAB-SFHVURJKSA-N 1 0 322.424 2.315 50 0 DEAARO Cc1nc(NC(=O)N(C)CC[NH+](C)C)ccc1Br ZINC000128784154 401791766 /nfs/dbraw/zinc/79/17/66/401791766.db2.gz UBKOHRFOOWAVFE-UHFFFAOYSA-N 1 0 315.215 2.178 50 0 DEAARO O=c1[nH]c(CSC2=[NH+]CCCN2)nc2cc(Cl)ccc21 ZINC000013042281 401795657 /nfs/dbraw/zinc/79/56/57/401795657.db2.gz XYFWOUMBDSWYCP-UHFFFAOYSA-N 1 0 308.794 2.159 50 0 DEAARO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 ZINC000015360858 401817721 /nfs/dbraw/zinc/81/77/21/401817721.db2.gz MFQVRBAVXIXJRM-UHFFFAOYSA-N 1 0 322.405 2.366 50 0 DEAARO Cc1cccc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)n1 ZINC000077525446 401818662 /nfs/dbraw/zinc/81/86/62/401818662.db2.gz CVJNBCPDSCVJQJ-UHFFFAOYSA-N 1 0 322.412 2.471 50 0 DEAARO CCCC12CN3CC(CCC)(CN(C1)C31CC[NH+](C)CC1)C2=O ZINC000019331118 401822411 /nfs/dbraw/zinc/82/24/11/401822411.db2.gz BASIREGGTDZVRR-UHFFFAOYSA-N 1 0 319.493 2.195 50 0 DEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc(C)n2)C[C@@H]1CCO ZINC000020600024 401824157 /nfs/dbraw/zinc/82/41/57/401824157.db2.gz ANKVRWUQPLSZKU-SFHVURJKSA-N 1 0 303.450 2.225 50 0 DEAARO CC[N@H+](CC(=O)Nc1nc(OC)cc(OC)n1)C1CCCCC1 ZINC000027286502 401844710 /nfs/dbraw/zinc/84/47/10/401844710.db2.gz QPLXUTVUUSYYTC-UHFFFAOYSA-N 1 0 322.409 2.087 50 0 DEAARO CCc1c(Cl)nc(C)nc1NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000078290311 401845701 /nfs/dbraw/zinc/84/57/01/401845701.db2.gz BSVIQOWADYFWTN-ZDUSSCGKSA-N 1 0 322.844 2.449 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCC(O)CC2)c2ccc(C)cc12 ZINC000028297084 401851488 /nfs/dbraw/zinc/85/14/88/401851488.db2.gz AZERWOZWNGDCMC-KRWDZBQOSA-N 1 0 316.445 2.384 50 0 DEAARO COc1ccc(C2(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)CCCC2)cc1 ZINC000077406517 401814463 /nfs/dbraw/zinc/81/44/63/401814463.db2.gz AHWAKRSHBYDLGB-WMLDXEAASA-N 1 0 314.429 2.327 50 0 DEAARO COc1ccc(F)cc1CN1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077472195 401816476 /nfs/dbraw/zinc/81/64/76/401816476.db2.gz JTWOBVUACNBLJP-SFHVURJKSA-N 1 0 322.424 2.257 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCC3)C1 ZINC000032268682 401877445 /nfs/dbraw/zinc/87/74/45/401877445.db2.gz VMTDFNUCSNDDNL-CQSZACIVSA-N 1 0 322.474 2.323 50 0 DEAARO COCCC[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036096455 401902825 /nfs/dbraw/zinc/90/28/25/401902825.db2.gz NHEZHZNJIROMHF-OAHLLOKOSA-N 1 0 323.389 2.289 50 0 DEAARO CC(C)C[N@@H+]1CC[C@@H](CNc2ccccc2S(C)(=O)=O)C1 ZINC000084544254 401906721 /nfs/dbraw/zinc/90/67/21/401906721.db2.gz XMBQJGJVCLCQBF-AWEZNQCLSA-N 1 0 310.463 2.480 50 0 DEAARO COCC[NH+]1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000085467994 401916942 /nfs/dbraw/zinc/91/69/42/401916942.db2.gz XDMIKIDKWQUYSC-UHFFFAOYSA-N 1 0 304.434 2.236 50 0 DEAARO CC[N@@H+]1C[C@H](NC(=O)c2oc3cc(C)ccc3c2C)[C@@H](OC)C1 ZINC000091637071 401997375 /nfs/dbraw/zinc/99/73/75/401997375.db2.gz FAPQBUFMRUIHDK-HOCLYGCPSA-N 1 0 316.401 2.499 50 0 DEAARO C[C@H](CNC(=O)NCc1cc(-c2ccccc2)no1)[NH+](C)C ZINC000089901072 401972257 /nfs/dbraw/zinc/97/22/57/401972257.db2.gz DJLQLLGJTSQZSY-GFCCVEGCSA-N 1 0 302.378 2.091 50 0 DEAARO COc1ccc(C[C@@](C)([NH3+])CNc2cc(Cl)nc(N)n2)cc1 ZINC000089904144 401972528 /nfs/dbraw/zinc/97/25/28/401972528.db2.gz DSSDQJOQLGZWMK-OAHLLOKOSA-N 1 0 321.812 2.093 50 0 DEAARO C[NH+](C)CCCNC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000047340049 401981382 /nfs/dbraw/zinc/98/13/82/401981382.db2.gz BNACFMSSRFKEDO-UHFFFAOYSA-N 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CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000096005873 402046032 /nfs/dbraw/zinc/04/60/32/402046032.db2.gz IYAGEVWUCUEBEA-UHFFFAOYSA-N 1 0 316.409 2.071 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000053203088 402052578 /nfs/dbraw/zinc/05/25/78/402052578.db2.gz IYSURPYYKABUGN-VIFPVBQESA-N 1 0 323.245 2.366 50 0 DEAARO CC(C)[N@@H+]1CCc2c(nc3cc([C@@H]4CCCC[NH2+]4)[n-]n3c2=O)C1 ZINC000048623042 402004495 /nfs/dbraw/zinc/00/44/95/402004495.db2.gz FYVRRBFEMDYUKR-ZDUSSCGKSA-N 1 0 315.421 2.016 50 0 DEAARO CC1=C2C[C@H]([C@]3([NH3+])CC4(CC4)NC3=O)[C@H](O)C[C@@]2(C)CCC1 ZINC000096336891 402077116 /nfs/dbraw/zinc/07/71/16/402077116.db2.gz CZASCEJNNSBZGY-GARXJVFOSA-N 1 0 304.434 2.014 50 0 DEAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccs1 ZINC000096424709 402083499 /nfs/dbraw/zinc/08/34/99/402083499.db2.gz VTBCKZJLULGLFX-GJZGRUSLSA-N 1 0 310.463 2.332 50 0 DEAARO COCCN(Cc1cnn(C)c1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055575940 402084474 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COC(=O)c1cn(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nn1 ZINC000097139363 402110445 /nfs/dbraw/zinc/11/04/45/402110445.db2.gz MUAALRMHVJFURT-ZDUSSCGKSA-N 1 0 304.394 2.058 50 0 DEAARO CC1(C)C[C@@]1(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1F ZINC000096159901 402063238 /nfs/dbraw/zinc/06/32/38/402063238.db2.gz KGJIRRLTQBECAZ-JCGVRSQUSA-N 1 0 302.393 2.171 50 0 DEAARO CCCc1cc(N2CC[NH+](C3CCOCC3)CC2)nc(C)n1 ZINC000065410305 402124824 /nfs/dbraw/zinc/12/48/24/402124824.db2.gz LYUYSHDIEKQINZ-UHFFFAOYSA-N 1 0 304.438 2.039 50 0 DEAARO CN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1CCC[N@@H+]1C ZINC000097636499 402129548 /nfs/dbraw/zinc/12/95/48/402129548.db2.gz AVGWLRCIAPGBCF-GFCCVEGCSA-N 1 0 304.419 2.134 50 0 DEAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1Cn1cccn1 ZINC000097675224 402130079 /nfs/dbraw/zinc/13/00/79/402130079.db2.gz HOVGRRIWOJXYGC-QGZVFWFLSA-N 1 0 312.417 2.032 50 0 DEAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000098052837 402135293 /nfs/dbraw/zinc/13/52/93/402135293.db2.gz WHJLGNFFUYUWGO-XKJZPFPASA-N 1 0 322.474 2.350 50 0 DEAARO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1(C)C ZINC000241946738 286172736 /nfs/dbraw/zinc/17/27/36/286172736.db2.gz UNMWEGBAUOAWSP-PWNZVWSESA-N 1 0 303.468 2.135 50 0 DEAARO COc1cc(C[NH2+]Cc2ccccc2CO)cc2c1OCCO2 ZINC000067247758 402155202 /nfs/dbraw/zinc/15/52/02/402155202.db2.gz UBRBPOUWOVKHIH-UHFFFAOYSA-N 1 0 315.369 2.249 50 0 DEAARO C[C@H]1C[NH2+]CCN1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067921377 402178772 /nfs/dbraw/zinc/17/87/72/402178772.db2.gz JQBFYQKJXLMPAJ-AWEZNQCLSA-N 1 0 307.401 2.190 50 0 DEAARO C[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067967281 402181218 /nfs/dbraw/zinc/18/12/18/402181218.db2.gz UJKUHMOJMZFIAO-SECBINFHSA-N 1 0 307.300 2.116 50 0 DEAARO c1nc(CCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)c[nH]1 ZINC000067982729 402181560 /nfs/dbraw/zinc/18/15/60/402181560.db2.gz XRASLEJTSPCWPQ-UHFFFAOYSA-N 1 0 320.400 2.167 50 0 DEAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2nc3c(s2)CCCC3)C1 ZINC000067983101 402181745 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Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1C ZINC000067489781 402161187 /nfs/dbraw/zinc/16/11/87/402161187.db2.gz GYLSWSZGSJPKJX-MRXNPFEDSA-N 1 0 306.454 2.045 50 0 DEAARO [NH3+]CCCC(=O)NCc1cccnc1Oc1ccccc1F ZINC000067674444 402166952 /nfs/dbraw/zinc/16/69/52/402166952.db2.gz PJXPBHPQTUMDCM-UHFFFAOYSA-N 1 0 303.337 2.368 50 0 DEAARO Cc1ncsc1CC[N@@H+](C)Cc1c(CO)cnc(C)c1O ZINC000067673190 402167296 /nfs/dbraw/zinc/16/72/96/402167296.db2.gz GQZBZTCFVRPVQI-UHFFFAOYSA-N 1 0 307.419 2.027 50 0 DEAARO CC(C)[N@@H+]1CCO[C@@H](CCNC(=O)Nc2ccc(F)cc2)C1 ZINC000067696318 402167859 /nfs/dbraw/zinc/16/78/59/402167859.db2.gz WIJGXCXBBHAGCB-HNNXBMFYSA-N 1 0 309.385 2.447 50 0 DEAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000067803815 402173133 /nfs/dbraw/zinc/17/31/33/402173133.db2.gz DEQPFGGBRKOMNX-GFCCVEGCSA-N 1 0 302.374 2.058 50 0 DEAARO Cc1ccc(NC(=O)CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000067850070 402175120 /nfs/dbraw/zinc/17/51/20/402175120.db2.gz VZUNUALSIXTDAA-HNNXBMFYSA-N 1 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ZINC000069772201 402243267 /nfs/dbraw/zinc/24/32/67/402243267.db2.gz OZRZQVAOIBAKDM-UHFFFAOYSA-N 1 0 318.461 2.233 50 0 DEAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cnc(C)cn1 ZINC000069815201 402245874 /nfs/dbraw/zinc/24/58/74/402245874.db2.gz DIHSGNHNBYEROC-JKSUJKDBSA-N 1 0 302.422 2.150 50 0 DEAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)c1 ZINC000069818392 402246057 /nfs/dbraw/zinc/24/60/57/402246057.db2.gz VCHUZGHOTGYMPS-STQMWFEESA-N 1 0 304.438 2.035 50 0 DEAARO Cc1ccc(-c2nc(C[NH2+][C@H]3CCc4ncnn4C3)co2)cc1 ZINC000069873028 402248111 /nfs/dbraw/zinc/24/81/11/402248111.db2.gz AJYCTPWVVMSSLK-AWEZNQCLSA-N 1 0 309.373 2.346 50 0 DEAARO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069900443 402250403 /nfs/dbraw/zinc/25/04/03/402250403.db2.gz VCQPGUPFCRJNBJ-DGCLKSJQSA-N 1 0 301.365 2.460 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000070173572 402258449 /nfs/dbraw/zinc/25/84/49/402258449.db2.gz QSJTWCPTSDCNSM-GHMZBOCLSA-N 1 0 302.827 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COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178564330 402512133 /nfs/dbraw/zinc/51/21/33/402512133.db2.gz JYUWSVRJXCUCRI-MRVPVSSYSA-N 1 0 303.189 2.423 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000178336071 402486364 /nfs/dbraw/zinc/48/63/64/402486364.db2.gz HSMOOGZOWUIZGI-CYBMUJFWSA-N 1 0 316.380 2.083 50 0 DEAARO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC1CC[NH2+]CC1 ZINC000168675527 402497964 /nfs/dbraw/zinc/49/79/64/402497964.db2.gz SUJDMKHZEUYYGK-MRXNPFEDSA-N 1 0 315.461 2.109 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1 ZINC000178991304 402563100 /nfs/dbraw/zinc/56/31/00/402563100.db2.gz HPWZAULGODABQB-AWEZNQCLSA-N 1 0 302.418 2.103 50 0 DEAARO C[C@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@H]1C[NH3+] ZINC000179221984 402582012 /nfs/dbraw/zinc/58/20/12/402582012.db2.gz UZGPOASOFZWOLE-YOEHRIQHSA-N 1 0 312.417 2.001 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000248161903 402583978 /nfs/dbraw/zinc/58/39/78/402583978.db2.gz 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CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)ccc1F ZINC000253420100 402665136 /nfs/dbraw/zinc/66/51/36/402665136.db2.gz XIYSELOKUFAIRB-ZDUSSCGKSA-N 1 0 314.426 2.239 50 0 DEAARO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](CC4OCCO4)C3)n2)cc1 ZINC000253420116 402665381 /nfs/dbraw/zinc/66/53/81/402665381.db2.gz FVKUPLATDBRQAF-AWEZNQCLSA-N 1 0 314.389 2.024 50 0 DEAARO CC[NH+]1CCN(c2cccc(NCc3csnn3)c2)CC1 ZINC000191884037 402696273 /nfs/dbraw/zinc/69/62/73/402696273.db2.gz ZQNJNPZARGFXMW-UHFFFAOYSA-N 1 0 303.435 2.292 50 0 DEAARO CN(CC(=O)Nc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191901481 402697522 /nfs/dbraw/zinc/69/75/22/402697522.db2.gz JTOCRAMBSNFQSL-CQSZACIVSA-N 1 0 302.374 2.043 50 0 DEAARO CC[C@@H]([NH2+]Cc1sccc1Cl)C(=O)N1CCOCC1 ZINC000193142140 402766758 /nfs/dbraw/zinc/76/67/58/402766758.db2.gz KTJBYMVYQRULLP-LLVKDONJSA-N 1 0 302.827 2.129 50 0 DEAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)c2cnn(C)c2)cc1 ZINC000195541005 402850839 /nfs/dbraw/zinc/85/08/39/402850839.db2.gz 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COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000089922694 292348953 /nfs/dbraw/zinc/34/89/53/292348953.db2.gz GJORGTWRGADFIB-CABCVRRESA-N 1 0 311.470 2.317 50 0 DEAARO COc1ccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCCO2)cc1 ZINC000426478067 405362249 /nfs/dbraw/zinc/36/22/49/405362249.db2.gz SVTJLYDSEQQEEV-ZDUSSCGKSA-N 1 0 320.418 2.006 50 0 DEAARO C[C@H](Cc1ccccn1)N(C)C(=O)NCCC[NH+]1CCCC1 ZINC000426544738 405368200 /nfs/dbraw/zinc/36/82/00/405368200.db2.gz KUHUILALHRQEGL-OAHLLOKOSA-N 1 0 304.438 2.140 50 0 DEAARO CC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ncnn1CC ZINC000426563067 405368961 /nfs/dbraw/zinc/36/89/61/405368961.db2.gz HDGRRWBMTUWNEV-HNNXBMFYSA-N 1 0 315.421 2.241 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(-c3c[nH+]ccc3N)cc2)C[C@H](C)O1 ZINC000426571371 405369186 /nfs/dbraw/zinc/36/91/86/405369186.db2.gz DFTGSJQZUQEYSV-BETUJISGSA-N 1 0 311.385 2.411 50 0 DEAARO COc1ccc(OCCC[NH3+])c(C(=O)NC[C@H]2CC2(C)C)c1 ZINC000426726916 405376167 /nfs/dbraw/zinc/37/61/67/405376167.db2.gz 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CCCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2CC)n1 ZINC000240225337 528792897 /nfs/dbraw/zinc/79/28/97/528792897.db2.gz DHGZNGYFJVVWAV-IACUBPJLSA-N 1 0 308.426 2.320 50 0 DEAARO CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccs1 ZINC000206733046 563637933 /nfs/dbraw/zinc/63/79/33/563637933.db2.gz YVVYDYMRNZFGCA-UHFFFAOYSA-N 1 0 317.418 2.457 50 0 DEAARO COC1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000206766036 563638737 /nfs/dbraw/zinc/63/87/37/563638737.db2.gz WBYGWMPZXSEESX-UHFFFAOYSA-N 1 0 302.418 2.402 50 0 DEAARO Cc1csc(=O)n1CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000170019861 563902709 /nfs/dbraw/zinc/90/27/09/563902709.db2.gz KOXKQEURRPZXAK-BLLLJJGKSA-N 1 0 312.479 2.385 50 0 DEAARO COc1ccccc1Cc1nc(C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000023368585 632941553 /nfs/dbraw/zinc/94/15/53/632941553.db2.gz ZEFRVLIUGRAARX-UHFFFAOYSA-N 1 0 313.401 2.179 50 0 DEAARO Cc1ncsc1CC[NH2+][C@H]1CCC(=O)N(CC2CC2)CC1 ZINC000952989403 635195508 /nfs/dbraw/zinc/19/55/08/635195508.db2.gz RYKSSUIIPQWIIE-AWEZNQCLSA-N 1 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CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@H](C)C2)ncn1 ZINC000110114012 684060821 /nfs/dbraw/zinc/06/08/21/684060821.db2.gz TZPRDPKCCGLCEG-AWEZNQCLSA-N 1 0 319.453 2.018 50 0 DEAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@H]([NH3+])C1 ZINC000152341442 684265525 /nfs/dbraw/zinc/26/55/25/684265525.db2.gz WQKHOGOICTWKJU-NSHDSACASA-N 1 0 322.771 2.146 50 0 DEAARO COc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(OC)c1 ZINC000253413673 685196685 /nfs/dbraw/zinc/19/66/85/685196685.db2.gz VKAGOEAJDFLFNW-OAHLLOKOSA-N 1 0 321.417 2.210 50 0 DEAARO COCCOc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1Cl ZINC000585131898 777166518 /nfs/dbraw/zinc/16/65/18/777166518.db2.gz JHRUJHKUFSFLND-UHFFFAOYSA-N 1 0 324.808 2.400 50 0 DEAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2ccc3scnc3c2)C1 ZINC000824412461 783594716 /nfs/dbraw/zinc/59/47/16/783594716.db2.gz USNQHIMPBDKQJR-NSHDSACASA-N 1 0 305.403 2.203 50 0 DEAARO COc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000824721338 783603343 /nfs/dbraw/zinc/60/33/43/783603343.db2.gz 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/nfs/dbraw/zinc/78/63/93/784786393.db2.gz KWGUBYQIORIFBW-UHFFFAOYSA-N 1 0 305.422 2.344 50 0 DEAARO C[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 ZINC000585089230 789691763 /nfs/dbraw/zinc/69/17/63/789691763.db2.gz VFZAXKVZAQTBPQ-BARDWOONSA-N 1 0 310.438 2.159 50 0 DEAARO C[N@@H+]1CCC[C@@H]1CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585116897 789703797 /nfs/dbraw/zinc/70/37/97/789703797.db2.gz LQWIROFCWLGUEF-MRXNPFEDSA-N 1 0 317.433 2.287 50 0 DEAARO C/C=C/C[N@H+]1CCC[C@@H](CNC(=O)c2cnc(CC)nc2)C1 ZINC000952868318 792785683 /nfs/dbraw/zinc/78/56/83/792785683.db2.gz JQULSVKGEIWRAX-KQIUPUNMSA-N 1 0 302.422 2.057 50 0 DEAARO O=C(NC[C@H]1CCC[N@H+](Cc2cncs2)C1)c1ccoc1 ZINC000952967935 792847984 /nfs/dbraw/zinc/84/79/84/792847984.db2.gz CURPYIGUZDFUFM-GFCCVEGCSA-N 1 0 305.403 2.378 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc4c(ccn4C)c3)C[C@@H]2O)[nH]n1 ZINC001529105417 1070860184 /nfs/dbraw/zinc/86/01/84/1070860184.db2.gz AUEHDTJHHGMKMM-APWZRJJASA-N 1 0 324.428 2.245 50 0 DEAARO CCc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001529145574 1070882604 /nfs/dbraw/zinc/88/26/04/1070882604.db2.gz CWOFRELZIVXCJQ-GASCZTMLSA-N 1 0 314.433 2.278 50 0 DEAARO COc1cc(C[N@H+]2C[C@@H](Cc3ccncc3)[C@H](O)C2)ccc1F ZINC001529153520 1070889217 /nfs/dbraw/zinc/88/92/17/1070889217.db2.gz DFUQJTAQBYCSFJ-NVXWUHKLSA-N 1 0 316.376 2.265 50 0 DEAARO [NH3+]CCn1cc(I)c2c1ccnc2Cl ZINC001501018265 1059206154 /nfs/dbraw/zinc/20/61/54/1059206154.db2.gz SGTZEUCJGYTOFJ-UHFFFAOYSA-N 1 0 321.549 2.253 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC001506397424 1061937044 /nfs/dbraw/zinc/93/70/44/1061937044.db2.gz TUYQOUAJXSOYAU-INIZCTEOSA-N 1 0 319.424 2.361 50 0 DEAARO C([C@H]1CCCO1)N1CCC([NH2+]C2CSCCSC2)CC1 ZINC001506401871 1061944402 /nfs/dbraw/zinc/94/44/02/1061944402.db2.gz GJIWSFOSZFZWPH-OAHLLOKOSA-N 1 0 316.536 2.068 50 0 DEAARO Cc1cccc(NC(=O)CC(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c1 ZINC001506424918 1061969458 /nfs/dbraw/zinc/96/94/58/1061969458.db2.gz DFFCOKRDZGUXJW-MRXNPFEDSA-N 1 0 317.433 2.266 50 0 DEAARO Cc1cc(C)c(C(=O)N(C)CC[C@@H](C)[NH+]2CCCC2)c(=O)[nH]1 ZINC001506427367 1061973742 /nfs/dbraw/zinc/97/37/42/1061973742.db2.gz IRBIXDVCGWKAJX-CQSZACIVSA-N 1 0 305.422 2.350 50 0 DEAARO C/C=C(\C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccnc2)C1 ZINC000820390559 1090546382 /nfs/dbraw/zinc/54/63/82/1090546382.db2.gz GUHOKHVVYRRBQP-NYXJMVDZSA-N 1 0 301.434 2.419 50 0 DEAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCn2nccc2C2CC2)C1 ZINC000095500387 185374873 /nfs/dbraw/zinc/37/48/73/185374873.db2.gz PCJLJRUBZOKAHH-INIZCTEOSA-N 1 0 318.465 2.387 50 0 DEAARO C[C@H](CNC(=O)[C@H](C)n1ccnc1)[N@H+](C)Cc1ccccc1 ZINC000078916734 185129000 /nfs/dbraw/zinc/12/90/00/185129000.db2.gz HDVKYKZAXHREFJ-CABCVRRESA-N 1 0 300.406 2.081 50 0 DEAARO C[C@@H](CNC(=O)[C@H](C)n1ccnc1)[N@H+](C)Cc1ccccc1 ZINC000078916732 185129294 /nfs/dbraw/zinc/12/92/94/185129294.db2.gz HDVKYKZAXHREFJ-GJZGRUSLSA-N 1 0 300.406 2.081 50 0 DEAARO CCc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1C(C)(C)C ZINC000299738690 529475087 /nfs/dbraw/zinc/47/50/87/529475087.db2.gz FHTLDAYPUHKIGZ-CHWSQXEVSA-N 1 0 306.454 2.400 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000088058954 185238223 /nfs/dbraw/zinc/23/82/23/185238223.db2.gz ZTQSOXOPLDMTTQ-MRVPVSSYSA-N 1 0 301.159 2.022 50 0 DEAARO O=C(NCc1ccc(Cl)cc1Cl)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000082121563 192359826 /nfs/dbraw/zinc/35/98/26/192359826.db2.gz KLQALBXJCWVNMU-QWRGUYRKSA-N 1 0 320.195 2.493 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2F)C[C@H]1O ZINC000082137218 192360171 /nfs/dbraw/zinc/36/01/71/192360171.db2.gz QBUJKZHPBHSRSF-IAGOWNOFSA-N 1 0 314.360 2.027 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000058392237 282268711 /nfs/dbraw/zinc/26/87/11/282268711.db2.gz XDTOCJRGWDHAOZ-QGZVFWFLSA-N 1 0 315.465 2.187 50 0 DEAARO Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000095408047 185356493 /nfs/dbraw/zinc/35/64/93/185356493.db2.gz HMLXXHAAPVWQLL-RYYBZQDPSA-N 1 0 324.856 2.384 50 0 DEAARO c1nnc2c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)nccn12 ZINC000095408826 185356814 /nfs/dbraw/zinc/35/68/14/185356814.db2.gz KGGSYBIXVBXQDV-OAHLLOKOSA-N 1 0 314.437 2.217 50 0 DEAARO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000095412219 185357668 /nfs/dbraw/zinc/35/76/68/185357668.db2.gz QSARCPFISLZMEX-ZDUSSCGKSA-N 1 0 324.471 2.415 50 0 DEAARO Cn1nc(C2CCC2)cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000095418862 185359880 /nfs/dbraw/zinc/35/98/80/185359880.db2.gz UVSJXFMNCBEPIO-UHFFFAOYSA-N 1 0 317.437 2.436 50 0 DEAARO [NH3+]C1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000095427767 185362048 /nfs/dbraw/zinc/36/20/48/185362048.db2.gz KRBRQZQOPKRPMP-UHFFFAOYSA-N 1 0 301.159 2.152 50 0 DEAARO Cc1cc(F)cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000095432061 185363491 /nfs/dbraw/zinc/36/34/91/185363491.db2.gz YMUQIDDIBUAHAP-OAHLLOKOSA-N 1 0 308.378 2.112 50 0 DEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccncc1F ZINC000095445878 185367546 /nfs/dbraw/zinc/36/75/46/185367546.db2.gz AWNIMJJLAOWNFI-UHFFFAOYSA-N 1 0 317.364 2.130 50 0 DEAARO O=C(c1ccn2c[nH+]cc2c1)N(CCO)Cc1ccsc1 ZINC000095441451 185366564 /nfs/dbraw/zinc/36/65/64/185366564.db2.gz RRBNMTOHAHVHNC-UHFFFAOYSA-N 1 0 301.371 2.031 50 0 DEAARO CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000095466889 185372190 /nfs/dbraw/zinc/37/21/90/185372190.db2.gz RINNUFUPHGTGBQ-CYBMUJFWSA-N 1 0 315.339 2.091 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)c1c(F)cccc1-n1cccn1 ZINC000408523886 529902508 /nfs/dbraw/zinc/90/25/08/529902508.db2.gz VWQCOHAVEQWDQR-UHFFFAOYSA-N 1 0 316.380 2.178 50 0 DEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccs1 ZINC000225561641 201730122 /nfs/dbraw/zinc/73/01/22/201730122.db2.gz UYDZDCYJRFWWEX-UHFFFAOYSA-N 1 0 308.447 2.369 50 0 DEAARO C[C@@H]1CN(C)c2ccccc2CN1C(=O)C1CC[NH+](C)CC1 ZINC000083003668 539386954 /nfs/dbraw/zinc/38/69/54/539386954.db2.gz HWOFGHJQJIVAGK-CQSZACIVSA-N 1 0 301.434 2.195 50 0 DEAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299753221 529982264 /nfs/dbraw/zinc/98/22/64/529982264.db2.gz XHTAUYDUKOJPSX-ZWKOTPCHSA-N 1 0 310.397 2.035 50 0 DEAARO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000299739907 530001340 /nfs/dbraw/zinc/00/13/40/530001340.db2.gz SPZNJTXTEWQULK-CYBMUJFWSA-N 1 0 304.287 2.365 50 0 DEAARO O=C(C[C@H]1CCCO1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000084374402 539394893 /nfs/dbraw/zinc/39/48/93/539394893.db2.gz DGNWVCQMBBQOKS-QGZVFWFLSA-N 1 0 318.417 2.151 50 0 DEAARO COc1cccc([C@@H](CO)[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000085328980 539399849 /nfs/dbraw/zinc/39/98/49/539399849.db2.gz UHECILDGPLPKEY-VGSWGCGISA-N 1 0 319.426 2.256 50 0 DEAARO C[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000241774146 530022721 /nfs/dbraw/zinc/02/27/21/530022721.db2.gz RNKQLENKNODXPN-DAXOMENPSA-N 1 0 312.417 2.457 50 0 DEAARO C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)[NH+]1CCCC1 ZINC000012380637 295776252 /nfs/dbraw/zinc/77/62/52/295776252.db2.gz SIKQLCHVECJLPS-INIZCTEOSA-N 1 0 316.445 2.335 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000071142788 190935715 /nfs/dbraw/zinc/93/57/15/190935715.db2.gz KMIQRQDPPZSCRZ-SECBINFHSA-N 1 0 315.186 2.270 50 0 DEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000071721660 191015027 /nfs/dbraw/zinc/01/50/27/191015027.db2.gz FIBPIOBHFADFGE-UHFFFAOYSA-N 1 0 318.396 2.185 50 0 DEAARO CC(C)[C@H]1C[N@H+](CCCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071755034 191025312 /nfs/dbraw/zinc/02/53/12/191025312.db2.gz MIRNMFYDNNVRDY-QGZVFWFLSA-N 1 0 322.424 2.267 50 0 DEAARO Cc1ccc(F)cc1NC(=O)N1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072144935 191051253 /nfs/dbraw/zinc/05/12/53/191051253.db2.gz IYILSPFCICVZPC-QGZVFWFLSA-N 1 0 323.412 2.445 50 0 DEAARO CN1C[C@]2(CCC[N@H+](Cc3cnn(C)c3C3CC3)CC2)OC1=O ZINC000072153548 191057200 /nfs/dbraw/zinc/05/72/00/191057200.db2.gz DSWSEOJEEBNGIG-QGZVFWFLSA-N 1 0 318.421 2.104 50 0 DEAARO CSc1ncc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)cn1 ZINC000072151975 191058079 /nfs/dbraw/zinc/05/80/79/191058079.db2.gz VVIJDIBVUZTOAP-CYBMUJFWSA-N 1 0 303.435 2.307 50 0 DEAARO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270590 191092258 /nfs/dbraw/zinc/09/22/58/191092258.db2.gz CTURMVKLBYLHRJ-INIZCTEOSA-N 1 0 312.417 2.248 50 0 DEAARO CO[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000072274196 191097466 /nfs/dbraw/zinc/09/74/66/191097466.db2.gz UWPYKAKDPIDHIT-HOTGVXAUSA-N 1 0 305.422 2.110 50 0 DEAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000072277111 191098068 /nfs/dbraw/zinc/09/80/68/191098068.db2.gz LPWDOHCFTWYDAZ-UHFFFAOYSA-N 1 0 302.418 2.325 50 0 DEAARO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)CC1CCOCC1 ZINC000072281492 191102088 /nfs/dbraw/zinc/10/20/88/191102088.db2.gz DMIFOBGBCWMDKF-MRXNPFEDSA-N 1 0 324.490 2.480 50 0 DEAARO COc1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072286212 191104977 /nfs/dbraw/zinc/10/49/77/191104977.db2.gz RHDQOQJLXFMTMS-WMLDXEAASA-N 1 0 301.390 2.331 50 0 DEAARO CN(C)[C@H](CNC1=[NH+]CCCN1)c1cccc(C(F)(F)F)c1 ZINC000183887470 186227656 /nfs/dbraw/zinc/22/76/56/186227656.db2.gz YXSCEJIJUSRYAF-CYBMUJFWSA-N 1 0 314.355 2.247 50 0 DEAARO O[C@@H](C[NH+]1CCC(O)(c2ccccc2)CC1)CC(F)(F)F ZINC000189982077 186258340 /nfs/dbraw/zinc/25/83/40/186258340.db2.gz DPEXGCZARHRNNC-CYBMUJFWSA-N 1 0 303.324 2.283 50 0 DEAARO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000225599445 186282390 /nfs/dbraw/zinc/28/23/90/186282390.db2.gz FXDPOVRHLTXGTM-CZUORRHYSA-N 1 0 312.454 2.384 50 0 DEAARO C[NH+](C)C[C@](C)(O)CNc1ncc(Cl)cc1Br ZINC000225599422 186282484 /nfs/dbraw/zinc/28/24/84/186282484.db2.gz UDYWHSLOHVXMCL-LLVKDONJSA-N 1 0 322.634 2.222 50 0 DEAARO COCCC[N@H+](Cc1cnn(C)c1C1CC1)C1CCN(C)CC1 ZINC000072433074 191164225 /nfs/dbraw/zinc/16/42/25/191164225.db2.gz BZNIAJPAHSHBSI-UHFFFAOYSA-N 1 0 320.481 2.230 50 0 DEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1cccc2c1CCC2 ZINC000072435981 191166499 /nfs/dbraw/zinc/16/64/99/191166499.db2.gz XKARFMKLGYGMQA-UHFFFAOYSA-N 1 0 324.428 2.436 50 0 DEAARO CN(C)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072457406 191172478 /nfs/dbraw/zinc/17/24/78/191172478.db2.gz XDTFLMHOKYYSJE-GVDBMIGSSA-N 1 0 317.408 2.369 50 0 DEAARO O=C(CCCn1cccn1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000299754341 539860037 /nfs/dbraw/zinc/86/00/37/539860037.db2.gz BHQWQTOOBSZEJI-CVEARBPZSA-N 1 0 304.438 2.044 50 0 biogenic DEAARO c1cn(CCCc2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072476355 191178281 /nfs/dbraw/zinc/17/82/81/191178281.db2.gz YHBXPSJLVWMPHO-UHFFFAOYSA-N 1 0 307.401 2.483 50 0 DEAARO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000173924296 198269381 /nfs/dbraw/zinc/26/93/81/198269381.db2.gz AZHFUIUOQPDZDU-FZMZJTMJSA-N 1 0 307.369 2.184 50 0 DEAARO COc1ccc2[nH]c3nc(SCC[NH+](C)C)nnc3c2c1 ZINC000000175145 353989682 /nfs/dbraw/zinc/98/96/82/353989682.db2.gz XJSSICPNCMLEMP-UHFFFAOYSA-N 1 0 303.391 2.168 50 0 DEAARO Cc1cc(Br)ccc1OCCCC[NH2+]CCO ZINC000004845273 353992182 /nfs/dbraw/zinc/99/21/82/353992182.db2.gz SOHYSAFTNSGPSU-UHFFFAOYSA-N 1 0 302.212 2.498 50 0 DEAARO CCOC(=O)c1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000004271701 181090711 /nfs/dbraw/zinc/09/07/11/181090711.db2.gz VIRPSYUDEWLJTO-UHFFFAOYSA-N 1 0 319.405 2.471 50 0 DEAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000004725509 181142990 /nfs/dbraw/zinc/14/29/90/181142990.db2.gz HOSPNVPKCKOREO-UHFFFAOYSA-N 1 0 316.445 2.320 50 0 DEAARO O=C(C[NH+]1CCCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000061803974 354631891 /nfs/dbraw/zinc/63/18/91/354631891.db2.gz SOIZVZUUABGCGR-UHFFFAOYSA-N 1 0 319.424 2.350 50 0 DEAARO CCCNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255872 354681028 /nfs/dbraw/zinc/68/10/28/354681028.db2.gz UDFBJTXCXKJHAU-QGZVFWFLSA-N 1 0 324.428 2.372 50 0 DEAARO CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000072288380 354899774 /nfs/dbraw/zinc/89/97/74/354899774.db2.gz QRIZQCGLZCFIMY-CVEARBPZSA-N 1 0 323.481 2.016 50 0 DEAARO C[C@H](O)C[NH2+]CCOc1ccc(Br)cc1Cl ZINC000004833577 181159149 /nfs/dbraw/zinc/15/91/49/181159149.db2.gz PYXZJKQJGPKKMC-QMMMGPOBSA-N 1 0 308.603 2.452 50 0 DEAARO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCOc1ccc(F)cc1 ZINC000075104335 355068793 /nfs/dbraw/zinc/06/87/93/355068793.db2.gz SNLIRKCFALWXBJ-DLBZAZTESA-N 1 0 322.424 2.126 50 0 DEAARO CC(=O)N1CCN([C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC000076055145 355122565 /nfs/dbraw/zinc/12/25/65/355122565.db2.gz QTGBOJYAULTUPS-QAPCUYQASA-N 1 0 307.482 2.051 50 0 DEAARO Cc1ccc(CCNC(=O)NCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000075610405 355097033 /nfs/dbraw/zinc/09/70/33/355097033.db2.gz OAQFIHGFFGCJAS-HNNXBMFYSA-N 1 0 304.438 2.106 50 0 DEAARO CN1CC[NH+](C[C@@H]2CCCN(c3ccc(Cl)cn3)C2)CC1 ZINC000078658983 355273383 /nfs/dbraw/zinc/27/33/83/355273383.db2.gz SNUQIQFSQDLDPC-AWEZNQCLSA-N 1 0 308.857 2.199 50 0 DEAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000079020773 355291922 /nfs/dbraw/zinc/29/19/22/355291922.db2.gz LHNBKWINZNMVJG-CQSZACIVSA-N 1 0 304.781 2.267 50 0 DEAARO COc1ccc2c(ccn2CC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000078894517 355282901 /nfs/dbraw/zinc/28/29/01/355282901.db2.gz CFVSJHPZYGKMET-GUYCJALGSA-N 1 0 315.417 2.058 50 0 DEAARO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@](C)(O)c2cnn(C)c2)cc1 ZINC000096478301 355699045 /nfs/dbraw/zinc/69/90/45/355699045.db2.gz RQZPVTXIGZYQMM-GLJUWKHASA-N 1 0 317.433 2.418 50 0 DEAARO CC(C)[NH+]1CCC(NCc2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000097238368 355704318 /nfs/dbraw/zinc/70/43/18/355704318.db2.gz INMYAZRWNVXFPM-KRWDZBQOSA-N 1 0 319.449 2.212 50 0 DEAARO CCCC[NH+]1CCN(C(=O)c2cn3cccc(C)c3n2)CC1 ZINC000097939089 355705920 /nfs/dbraw/zinc/70/59/20/355705920.db2.gz LAGKVEAZEWSAIQ-UHFFFAOYSA-N 1 0 300.406 2.201 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)CC2 ZINC000136400618 355867992 /nfs/dbraw/zinc/86/79/92/355867992.db2.gz UHXGOEJSOPWGJO-HIFRSBDPSA-N 1 0 314.433 2.472 50 0 DEAARO COC[C@@H]1C[N@H+](C)CC12CCN(C(=O)c1cccc(C)c1)CC2 ZINC000169782462 355982598 /nfs/dbraw/zinc/98/25/98/355982598.db2.gz QDDNBVAZBIRAOK-KRWDZBQOSA-N 1 0 316.445 2.425 50 0 DEAARO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)NCCCN(C)CC(F)(F)F ZINC000170595926 355986861 /nfs/dbraw/zinc/98/68/61/355986861.db2.gz IOJVDWQNOODWIF-VXGBXAGGSA-N 1 0 311.392 2.009 50 0 DEAARO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)oc1C ZINC000170603124 355987660 /nfs/dbraw/zinc/98/76/60/355987660.db2.gz HDTFLBMPDYQKKL-CYBMUJFWSA-N 1 0 303.362 2.236 50 0 DEAARO C[Si](C)(C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC000170616838 355989582 /nfs/dbraw/zinc/98/95/82/355989582.db2.gz SWQQRKCHRCQGFP-HNNXBMFYSA-N 1 0 304.510 2.119 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1 ZINC000163184793 355972385 /nfs/dbraw/zinc/97/23/85/355972385.db2.gz WLADRWAPNWETHK-KWQFWETISA-N 1 0 320.286 2.033 50 0 DEAARO OCC[NH2+][C@H](c1ccc(Br)cc1)C1CCOCC1 ZINC000195558093 356257099 /nfs/dbraw/zinc/25/70/99/356257099.db2.gz MHZJONOHFJFFQG-CQSZACIVSA-N 1 0 314.223 2.499 50 0 DEAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000221344026 356274489 /nfs/dbraw/zinc/27/44/89/356274489.db2.gz IYMJHEFEYZGKDW-CKEIUWERSA-N 1 0 318.465 2.327 50 0 DEAARO CC(=O)N1CCN([C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000229918252 356283087 /nfs/dbraw/zinc/28/30/87/356283087.db2.gz AFSPOYJAGZQRRW-MAUKXSAKSA-N 1 0 307.482 2.051 50 0 DEAARO O=C(Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000575604891 540250119 /nfs/dbraw/zinc/25/01/19/540250119.db2.gz DCENSQHVMJQFDX-HNNXBMFYSA-N 1 0 322.836 2.252 50 0 DEAARO COc1ccc(Cl)cc1CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237081319 202145905 /nfs/dbraw/zinc/14/59/05/202145905.db2.gz KSPFNILRGFNGCK-RYUDHWBXSA-N 1 0 310.825 2.477 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000237130898 202162468 /nfs/dbraw/zinc/16/24/68/202162468.db2.gz DENNTYQFAXFDOQ-ZDUSSCGKSA-N 1 0 302.353 2.040 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000237233129 202198856 /nfs/dbraw/zinc/19/88/56/202198856.db2.gz JXZUECHFMIYREF-GFCCVEGCSA-N 1 0 316.323 2.338 50 0 DEAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)Nc1ccccc1 ZINC000584890451 357327469 /nfs/dbraw/zinc/32/74/69/357327469.db2.gz FMTXSFXFUWCNPU-MRXNPFEDSA-N 1 0 317.433 2.348 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)c2cc(C)[nH]c(=O)c2)[NH+](C)C)cc1 ZINC000180177646 199126893 /nfs/dbraw/zinc/12/68/93/199126893.db2.gz METDQXQRMMRDFD-MRXNPFEDSA-N 1 0 313.401 2.437 50 0 DEAARO COc1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000237305468 202225373 /nfs/dbraw/zinc/22/53/73/202225373.db2.gz XBUAOOQFLCZDMR-GMTGPXDGSA-N 1 0 318.417 2.303 50 0 DEAARO COc1cc(F)c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000237297028 202221448 /nfs/dbraw/zinc/22/14/48/202221448.db2.gz QPAGVQFSAMJHDT-GWCFXTLKSA-N 1 0 310.369 2.042 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 ZINC000237413409 202257341 /nfs/dbraw/zinc/25/73/41/202257341.db2.gz QAUSXXHPBUBGCS-STQMWFEESA-N 1 0 310.825 2.442 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)c2ccc(Cl)o2)CC1 ZINC000089414423 192784473 /nfs/dbraw/zinc/78/44/73/192784473.db2.gz VZDQMJSNULCZMZ-UHFFFAOYSA-N 1 0 300.786 2.021 50 0 DEAARO O=C([C@H]1CCC[NH2+]1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000237858678 202372111 /nfs/dbraw/zinc/37/21/11/202372111.db2.gz JUAOMQJIPREVEI-CQSZACIVSA-N 1 0 310.344 2.087 50 0 DEAARO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])CCN(Cc2ccccc2)C1 ZINC000601012382 359893661 /nfs/dbraw/zinc/89/36/61/359893661.db2.gz DBSIQDWAGSNRAF-QGZVFWFLSA-N 1 0 305.422 2.115 50 0 DEAARO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH3+])[C@@H](n2cc(C(C)(C)C)nn2)C1 ZINC000669371560 540823412 /nfs/dbraw/zinc/82/34/12/540823412.db2.gz GLVDYJZTWRDUCA-UTUOFQBUSA-N 1 0 308.426 2.196 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000123879691 296024038 /nfs/dbraw/zinc/02/40/38/296024038.db2.gz BHDKOQMADQEVBE-SKDRFNHKSA-N 1 0 320.817 2.370 50 0 DEAARO OC[C@H]1CCC[N@H+](CCNc2ccc(C(F)(F)F)cn2)C1 ZINC000670436343 540933245 /nfs/dbraw/zinc/93/32/45/540933245.db2.gz HYGGNYZATFUFDK-NSHDSACASA-N 1 0 303.328 2.217 50 0 DEAARO COc1cccc([C@@H](O)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194036485 201167307 /nfs/dbraw/zinc/16/73/07/201167307.db2.gz WKNZECROGJZJDW-LTIDMASMSA-N 1 0 303.402 2.276 50 0 DEAARO CC1(C)[C@H]([NH2+]CCNC(=O)CC2CCCC2)[C@@H]2CCCO[C@@H]21 ZINC000195550595 201405320 /nfs/dbraw/zinc/40/53/20/201405320.db2.gz ZGPLZSQPINDOCW-UAGQMJEPSA-N 1 0 308.466 2.476 50 0 DEAARO CCOC(=O)C1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000006701972 181373349 /nfs/dbraw/zinc/37/33/49/181373349.db2.gz CUYLAIAMIOLBDV-UHFFFAOYSA-N 1 0 307.390 2.349 50 0 DEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1csc(C)n1)C2 ZINC000091381445 193048516 /nfs/dbraw/zinc/04/85/16/193048516.db2.gz APGVLYKWSKKLRI-UKRRQHHQSA-N 1 0 307.463 2.327 50 0 DEAARO Cn1cc(Cl)cc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000091425720 193054293 /nfs/dbraw/zinc/05/42/93/193054293.db2.gz AVRLHFDACLCWRW-KGLIPLIRSA-N 1 0 303.793 2.245 50 0 DEAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC[NH3+])c1C ZINC000091587232 193077169 /nfs/dbraw/zinc/07/71/69/193077169.db2.gz CNGLEZSPMJMMPZ-HNNXBMFYSA-N 1 0 312.417 2.332 50 0 DEAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](Cc1ccoc1)C2 ZINC000091493340 193064568 /nfs/dbraw/zinc/06/45/68/193064568.db2.gz VBLFIDVOLNPHTJ-GOSISDBHSA-N 1 0 318.417 2.273 50 0 DEAARO CCOCC[N@@H+]1C[C@H](NC(=O)Cc2ccsc2)[C@@H](C2CC2)C1 ZINC000091746356 193101002 /nfs/dbraw/zinc/10/10/02/193101002.db2.gz AGIGEKNTXHKQJG-CVEARBPZSA-N 1 0 322.474 2.154 50 0 DEAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](Cc1ncccn1)C2 ZINC000091848863 193117271 /nfs/dbraw/zinc/11/72/71/193117271.db2.gz ZGIISGMWJJWPDQ-GOSISDBHSA-N 1 0 314.433 2.091 50 0 DEAARO Cc1ccc2[nH]c(C[N@@H+]3C[C@H]4CCC[C@@]4(CO)C3)cc(=O)c2c1 ZINC000091859375 193119299 /nfs/dbraw/zinc/11/92/99/193119299.db2.gz DVTAGQLCBSOKAD-KUHUBIRLSA-N 1 0 312.413 2.431 50 0 DEAARO COc1ccc(OCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)c(Cl)c1 ZINC000252549932 202865170 /nfs/dbraw/zinc/86/51/70/202865170.db2.gz RXCGNVVEOJAYPC-AOOOYVTPSA-N 1 0 322.796 2.261 50 0 DEAARO O=C(OCc1ccccc1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC000261507388 203074122 /nfs/dbraw/zinc/07/41/22/203074122.db2.gz HYXZJNAWLKDMBB-MRXNPFEDSA-N 1 0 304.390 2.120 50 0 DEAARO COC(=O)c1cc(C[NH+]2CCC(C3CCOCC3)CC2)c[nH]1 ZINC000093705127 193295478 /nfs/dbraw/zinc/29/54/78/193295478.db2.gz DPZPQMAJMMTTFS-UHFFFAOYSA-N 1 0 306.406 2.440 50 0 DEAARO COc1ccccc1COC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000095996534 193484743 /nfs/dbraw/zinc/48/47/43/193484743.db2.gz SSKIAPAAGHVVCW-KRWDZBQOSA-N 1 0 320.433 2.186 50 0 DEAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000008307319 181545744 /nfs/dbraw/zinc/54/57/44/181545744.db2.gz FKRQMCOSLYAQKU-UTUOFQBUSA-N 1 0 316.405 2.161 50 0 DEAARO O=C1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C2(CCC2)N1 ZINC000282593346 217112265 /nfs/dbraw/zinc/11/22/65/217112265.db2.gz CKYNRPIYZFLECD-MRXNPFEDSA-N 1 0 310.401 2.163 50 0 DEAARO Cc1nn(CC(=O)NCC[NH+]2CCCCCC2)c2ccccc12 ZINC000015671605 182011120 /nfs/dbraw/zinc/01/11/20/182011120.db2.gz OEOMTEDRAWOKFW-UHFFFAOYSA-N 1 0 314.433 2.337 50 0 DEAARO CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN2CC)c1 ZINC000019365419 182118744 /nfs/dbraw/zinc/11/87/44/182118744.db2.gz QVEYJYLYMHELRN-DLBZAZTESA-N 1 0 306.450 2.063 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000019851270 182157374 /nfs/dbraw/zinc/15/73/74/182157374.db2.gz QADKCMINPNJPLP-KRWDZBQOSA-N 1 0 316.426 2.160 50 0 DEAARO CCOc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000019868493 182157800 /nfs/dbraw/zinc/15/78/00/182157800.db2.gz MKJNULRXIIQGGE-UHFFFAOYSA-N 1 0 304.434 2.382 50 0 DEAARO COc1cccc(CC[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000020118521 182189015 /nfs/dbraw/zinc/18/90/15/182189015.db2.gz PXSLKXDPUZADHI-UHFFFAOYSA-N 1 0 300.406 2.246 50 0 DEAARO CC[NH+]1CCN(CCOCCOc2ccc3c(c2)CCC3)CC1 ZINC000020406535 182214808 /nfs/dbraw/zinc/21/48/08/182214808.db2.gz VOCQSKMECPPGGP-UHFFFAOYSA-N 1 0 318.461 2.208 50 0 DEAARO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)n(Cc2ccccc2)n1 ZINC000097655427 193744187 /nfs/dbraw/zinc/74/41/87/193744187.db2.gz NIHPFQKGWFPZTN-HNNXBMFYSA-N 1 0 313.405 2.113 50 0 DEAARO CCCOc1ccccc1OCCOCCN1CC[NH+](C)CC1 ZINC000020653542 182242411 /nfs/dbraw/zinc/24/24/11/182242411.db2.gz MZOWQPLTAZCZMA-UHFFFAOYSA-N 1 0 322.449 2.118 50 0 DEAARO CC(=O)N1CCC([N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000020773884 182246618 /nfs/dbraw/zinc/24/66/18/182246618.db2.gz NNXCEOGDTQPBOO-LJQANCHMSA-N 1 0 316.445 2.331 50 0 DEAARO Cc1cc(C)n([C@@H]2CC[N@H+](CC(C)(C)CN3CCOCC3)C2)n1 ZINC000097742901 193752125 /nfs/dbraw/zinc/75/21/25/193752125.db2.gz SPSDQSVCARDOSZ-QGZVFWFLSA-N 1 0 320.481 2.105 50 0 DEAARO O=C1C[C@H]([NH2+]CCc2cccs2)C(=O)N1c1ccccc1 ZINC000022118525 182309179 /nfs/dbraw/zinc/30/91/79/182309179.db2.gz HNPRGEQPGGYUDV-AWEZNQCLSA-N 1 0 300.383 2.212 50 0 DEAARO CC(C)[N@@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000022919937 182341347 /nfs/dbraw/zinc/34/13/47/182341347.db2.gz FCPFDPBKQHALKF-INIZCTEOSA-N 1 0 301.434 2.445 50 0 DEAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1=COCCO1 ZINC000024650615 182386022 /nfs/dbraw/zinc/38/60/22/182386022.db2.gz ZKDZXDJROGIYBA-UHFFFAOYSA-N 1 0 316.401 2.177 50 0 DEAARO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000030144470 182584698 /nfs/dbraw/zinc/58/46/98/182584698.db2.gz XPAGVCVWRMWMPP-LLVKDONJSA-N 1 0 309.435 2.298 50 0 DEAARO Cc1cnc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000040461949 183070579 /nfs/dbraw/zinc/07/05/79/183070579.db2.gz HBMPGADXKAVJNH-CQSZACIVSA-N 1 0 316.430 2.413 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(C2CC2)n[nH]1 ZINC000040511873 183087541 /nfs/dbraw/zinc/08/75/41/183087541.db2.gz POSMGKZZGUPBJH-HNNXBMFYSA-N 1 0 314.389 2.447 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000040598111 183107388 /nfs/dbraw/zinc/10/73/88/183107388.db2.gz DFFKEJBXYZSUGH-JTQLQIEISA-N 1 0 320.817 2.099 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000041761489 183219226 /nfs/dbraw/zinc/21/92/26/183219226.db2.gz GEOHNJCYRVYJJV-ZDUSSCGKSA-N 1 0 322.453 2.290 50 0 DEAARO Cc1nc2ccccc2nc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000042294349 183250879 /nfs/dbraw/zinc/25/08/79/183250879.db2.gz LMLQBGORBIDLSH-UHFFFAOYSA-N 1 0 324.428 2.429 50 0 DEAARO Ic1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042772989 183306681 /nfs/dbraw/zinc/30/66/81/183306681.db2.gz CMWZJTZJGLOXNZ-SECBINFHSA-N 1 0 303.143 2.280 50 0 DEAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(C)(=O)=O)cc1 ZINC000043590410 183373934 /nfs/dbraw/zinc/37/39/34/183373934.db2.gz DYQFVPOWRWRFGN-UHFFFAOYSA-N 1 0 318.442 2.464 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000106068080 194184306 /nfs/dbraw/zinc/18/43/06/194184306.db2.gz MENLNMNTDGFZMQ-GOEBONIOSA-N 1 0 320.433 2.201 50 0 DEAARO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)Nc2ncccc21 ZINC000095954812 284872288 /nfs/dbraw/zinc/87/22/88/284872288.db2.gz JJXPQQWHTUONBK-UHFFFAOYSA-N 1 0 308.385 2.229 50 0 DEAARO CC[NH+]1CCC(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 ZINC000057000705 184023913 /nfs/dbraw/zinc/02/39/13/184023913.db2.gz VCVRFIIMJKWZNI-CXAGYDPISA-N 1 0 318.417 2.063 50 0 DEAARO COc1cc(C[NH2+]CCOc2ccccn2)cc(OC)c1OC ZINC000057354913 184035508 /nfs/dbraw/zinc/03/55/08/184035508.db2.gz SJXXKWHTMNZGCD-UHFFFAOYSA-N 1 0 318.373 2.276 50 0 DEAARO C[C@@H](CNC(=O)c1cncc(Br)c1)[N@H+](C)C1CC1 ZINC000057718758 184050047 /nfs/dbraw/zinc/05/00/47/184050047.db2.gz GEHBOCFBUFUSEI-VIFPVBQESA-N 1 0 312.211 2.057 50 0 DEAARO Cc1ccc([C@H](C[NH2+]Cc2cccc(O)c2)N2CCOCC2)o1 ZINC000058150811 184081498 /nfs/dbraw/zinc/08/14/98/184081498.db2.gz KQTLXONVAJPAJV-KRWDZBQOSA-N 1 0 316.401 2.457 50 0 DEAARO COCC[N@H+](C)CCCNC(=O)c1cc2cc(C)ccc2o1 ZINC000058377660 184110362 /nfs/dbraw/zinc/11/03/62/184110362.db2.gz GAEQADPGEQCZKS-UHFFFAOYSA-N 1 0 304.390 2.439 50 0 DEAARO C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000058291672 184101566 /nfs/dbraw/zinc/10/15/66/184101566.db2.gz VUUCWGGKHJCAJH-INIZCTEOSA-N 1 0 318.465 2.074 50 0 DEAARO Cc1ccc([C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)N(C)C)cc1 ZINC000058304918 184103049 /nfs/dbraw/zinc/10/30/49/184103049.db2.gz REPRLXGMSDSSGS-RDJZCZTQSA-N 1 0 313.449 2.126 50 0 DEAARO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3ccnn3C2)c(OC)c1 ZINC000058312056 184103982 /nfs/dbraw/zinc/10/39/82/184103982.db2.gz ALJBSDIEGAYEIP-CHWSQXEVSA-N 1 0 316.405 2.293 50 0 DEAARO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1nccs1 ZINC000058332346 184106662 /nfs/dbraw/zinc/10/66/62/184106662.db2.gz HOPQRGVEGLGYHK-UHFFFAOYSA-N 1 0 308.451 2.032 50 0 DEAARO COc1cc([C@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)ccc1O ZINC000062001504 184200667 /nfs/dbraw/zinc/20/06/67/184200667.db2.gz AIOSPJIQOLXBIF-SJLPKXTDSA-N 1 0 310.353 2.325 50 0 biogenic DEAARO COc1ccc(C[NH+]2CCC(CNC(=O)NC3CC3)CC2)cc1 ZINC000063321176 184280736 /nfs/dbraw/zinc/28/07/36/184280736.db2.gz IIPHREUBXKIVSC-UHFFFAOYSA-N 1 0 317.433 2.369 50 0 DEAARO C[N@H+](CCNC(=O)c1ccn(-c2ccccc2Cl)n1)C1CC1 ZINC000065124825 184311225 /nfs/dbraw/zinc/31/12/25/184311225.db2.gz HQLNDSWYCQXZSN-UHFFFAOYSA-N 1 0 318.808 2.350 50 0 DEAARO Cc1csc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000065437741 184345491 /nfs/dbraw/zinc/34/54/91/184345491.db2.gz YJAREXOLJSQXJG-ZDUSSCGKSA-N 1 0 308.451 2.221 50 0 DEAARO NC(=O)COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000065462994 184349657 /nfs/dbraw/zinc/34/96/57/184349657.db2.gz IUVNNLFRKLRKMZ-UHFFFAOYSA-N 1 0 306.312 2.119 50 0 DEAARO CCn1cc(C2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000065466592 184350221 /nfs/dbraw/zinc/35/02/21/184350221.db2.gz DYOKFWXWRXFSMB-UHFFFAOYSA-N 1 0 312.417 2.382 50 0 DEAARO Cc1sc2ncnc(NCC[NH+]3CCC(O)CC3)c2c1C ZINC000065406832 184338666 /nfs/dbraw/zinc/33/86/66/184338666.db2.gz CLLWMNMWOAOFLX-UHFFFAOYSA-N 1 0 306.435 2.177 50 0 DEAARO COCCOCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000065588573 184369172 /nfs/dbraw/zinc/36/91/72/184369172.db2.gz OESODRITYYULJI-QGZVFWFLSA-N 1 0 322.449 2.157 50 0 DEAARO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(C)=O)c1 ZINC000065587296 184369478 /nfs/dbraw/zinc/36/94/78/184369478.db2.gz KTQPWIIWJXZDKM-MRXNPFEDSA-N 1 0 319.405 2.122 50 0 DEAARO COc1ccccc1CC[NH2+]C[C@H]1CNc2cc(C)nn2C1 ZINC000065625516 184375341 /nfs/dbraw/zinc/37/53/41/184375341.db2.gz GUVLCXCGRNFHSR-AWEZNQCLSA-N 1 0 300.406 2.074 50 0 DEAARO COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)c1 ZINC000299739206 533083943 /nfs/dbraw/zinc/08/39/43/533083943.db2.gz LTSJAUNAHAVQQS-NFAWXSAZSA-N 1 0 318.417 2.147 50 0 DEAARO Cc1cc(C)n2nc3c(c2n1)[C@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N3 ZINC000247921692 291871695 /nfs/dbraw/zinc/87/16/95/291871695.db2.gz OGTYOXKKYDVGMP-XQQFMLRXSA-N 1 0 313.405 2.289 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000156144916 197089863 /nfs/dbraw/zinc/08/98/63/197089863.db2.gz UKDAWDUEXSQQQP-KSLFURFDSA-N 1 0 316.401 2.057 50 0 DEAARO COCC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cccc(F)c1F ZINC000020993315 256528781 /nfs/dbraw/zinc/52/87/81/256528781.db2.gz GRKRFPYAVNWELK-ZDUSSCGKSA-N 1 0 312.360 2.082 50 0 DEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000241466004 533476666 /nfs/dbraw/zinc/47/66/66/533476666.db2.gz NTURHXBTGOFGLU-HZPDHXFCSA-N 1 0 311.447 2.135 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H](c1ccsc1)N(C)C)CN2 ZINC000069348589 292022099 /nfs/dbraw/zinc/02/20/99/292022099.db2.gz IFMMXAOBZOUPNE-DZGCQCFKSA-N 1 0 319.478 2.187 50 0 DEAARO COc1ccc([C@H]2C[C@H](C)N(C(=O)[C@@H]([NH3+])CCSC)C2)cc1 ZINC000237278429 145092138 /nfs/dbraw/zinc/09/21/38/145092138.db2.gz ANWFZRYLZBRCOV-NOLJZWGESA-N 1 0 322.474 2.480 50 0 DEAARO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000370474218 148021841 /nfs/dbraw/zinc/02/18/41/148021841.db2.gz XMZNFRMFWVZBID-LRDDRELGSA-N 1 0 324.428 2.195 50 0 DEAARO CCOCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000079358326 286024766 /nfs/dbraw/zinc/02/47/66/286024766.db2.gz XWDWXNZQJZEXRQ-MAUKXSAKSA-N 1 0 320.433 2.231 50 0 DEAARO CC1CC[NH+](CCCNS(=O)(=O)c2cccs2)CC1 ZINC000007728748 401743104 /nfs/dbraw/zinc/74/31/04/401743104.db2.gz HNIAWYSYJGRJOZ-UHFFFAOYSA-N 1 0 302.465 2.148 50 0 DEAARO COC(C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)OC ZINC000007736207 401743391 /nfs/dbraw/zinc/74/33/91/401743391.db2.gz PUYVXBXXOMWKAX-UHFFFAOYSA-N 1 0 301.770 2.210 50 0 DEAARO Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)n1 ZINC000071865583 401689226 /nfs/dbraw/zinc/68/92/26/401689226.db2.gz JSLCFMUQTYZEEO-INIZCTEOSA-N 1 0 306.454 2.221 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000000293975 401693424 /nfs/dbraw/zinc/69/34/24/401693424.db2.gz VRXWXVYKRORZHJ-AWEZNQCLSA-N 1 0 307.390 2.479 50 0 DEAARO C/C(=C\c1ccccc1)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000071924530 401697969 /nfs/dbraw/zinc/69/79/69/401697969.db2.gz BIYOSKFKWFTEOI-WYMLVPIESA-N 1 0 308.447 2.104 50 0 DEAARO Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)no1 ZINC000072284678 401706053 /nfs/dbraw/zinc/70/60/53/401706053.db2.gz HZUXPSCLEYQOGK-DZGCQCFKSA-N 1 0 320.437 2.349 50 0 DEAARO CN1C[C@@H](CCCC[NH+]2CCN(c3ccccc3)CC2)OC1=O ZINC000002014745 401711762 /nfs/dbraw/zinc/71/17/62/401711762.db2.gz YMGFZHCYOFMGSV-QGZVFWFLSA-N 1 0 317.433 2.430 50 0 DEAARO [NH3+]CCS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000002237237 401713106 /nfs/dbraw/zinc/71/31/06/401713106.db2.gz KQJLDXLDKFKFNV-JTQLQIEISA-N 1 0 319.213 2.317 50 0 DEAARO O=S(=O)(NCCC[NH2+]C1CCCCC1)c1ccccc1F ZINC000002631264 401716085 /nfs/dbraw/zinc/71/60/85/401716085.db2.gz ICULMLQXRVPFBU-UHFFFAOYSA-N 1 0 314.426 2.416 50 0 DEAARO CC[NH+]1CCC(NC(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000013736866 401804113 /nfs/dbraw/zinc/80/41/13/401804113.db2.gz JJCGUNNHJYTTMS-UHFFFAOYSA-N 1 0 311.407 2.141 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c(=O)[nH]1 ZINC000075124351 401750159 /nfs/dbraw/zinc/75/01/59/401750159.db2.gz OSSRHMWIOKKQMU-UHFFFAOYSA-N 1 0 317.433 2.021 50 0 DEAARO CCOC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c[nH]1 ZINC000075503298 401761040 /nfs/dbraw/zinc/76/10/40/401761040.db2.gz KTRUJCKDIJLWSM-CQSZACIVSA-N 1 0 307.394 2.393 50 0 DEAARO CSc1ccccc1C(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000011817816 401776827 /nfs/dbraw/zinc/77/68/27/401776827.db2.gz AKJKGCZXISJTBV-CYBMUJFWSA-N 1 0 308.447 2.201 50 0 DEAARO CCOCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000076021009 401778076 /nfs/dbraw/zinc/77/80/76/401778076.db2.gz MKBUFFLWVJGTJI-UHFFFAOYSA-N 1 0 308.397 2.190 50 0 DEAARO c1cc(N[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc2c1OCO2 ZINC000011932868 401778250 /nfs/dbraw/zinc/77/82/50/401778250.db2.gz VVBIUIDMVAPTAO-CQSZACIVSA-N 1 0 304.390 2.471 50 0 DEAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cnccn1 ZINC000012074805 401778944 /nfs/dbraw/zinc/77/89/44/401778944.db2.gz ILGMJSREOQAWPI-CQSZACIVSA-N 1 0 302.422 2.394 50 0 DEAARO COc1ccc2c(CC(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)coc2c1 ZINC000076050652 401779034 /nfs/dbraw/zinc/77/90/34/401779034.db2.gz NWXCLPRTFHCIBY-WBMJQRKESA-N 1 0 316.401 2.392 50 0 DEAARO COc1ccc2c(CC(=O)N3C[C@H](C)[C@H]([NH+](C)C)C3)coc2c1 ZINC000076050666 401779189 /nfs/dbraw/zinc/77/91/89/401779189.db2.gz NWXCLPRTFHCIBY-BLLLJJGKSA-N 1 0 316.401 2.392 50 0 DEAARO CC(C)NC(=O)c1cn(C2CC[NH+](CC(C)(C)C)CC2)nn1 ZINC000012163734 401780413 /nfs/dbraw/zinc/78/04/13/401780413.db2.gz CPAURQZYLKSVNK-UHFFFAOYSA-N 1 0 307.442 2.099 50 0 DEAARO CC[NH2+]C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000012300941 401783182 /nfs/dbraw/zinc/78/31/82/401783182.db2.gz BMQPIEQJZNSSNQ-SFHVURJKSA-N 1 0 304.434 2.273 50 0 DEAARO CN1CCC([N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)CC1 ZINC000012481445 401786474 /nfs/dbraw/zinc/78/64/74/401786474.db2.gz SOUVBDCCKYFIKY-IBGZPJMESA-N 1 0 319.493 2.195 50 0 DEAARO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000012600583 401788933 /nfs/dbraw/zinc/78/89/33/401788933.db2.gz ACSMDUIFFCDHPA-RTBURBONSA-N 1 0 317.429 2.332 50 0 DEAARO COc1ccc(CCN2C[C@@H]([NH2+]C3CCCC3)CC2=O)cc1 ZINC000012713144 401790243 /nfs/dbraw/zinc/79/02/43/401790243.db2.gz VNILENUFZWZPNT-INIZCTEOSA-N 1 0 302.418 2.371 50 0 DEAARO CC[C@H]1CN(C(=O)Cc2ccc(O)c(F)c2)CC[N@@H+]1C(C)C ZINC000077487875 401816984 /nfs/dbraw/zinc/81/69/84/401816984.db2.gz CMTXOIOKVIDNPX-AWEZNQCLSA-N 1 0 308.397 2.405 50 0 DEAARO COC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016621925 401819655 /nfs/dbraw/zinc/81/96/55/401819655.db2.gz OMYRMCORADPMJL-HNNXBMFYSA-N 1 0 304.434 2.358 50 0 DEAARO CC1(C)CCC[C@H]([NH+]2CCC(Cn3cc(CCO)nn3)CC2)C1 ZINC000020600004 401824205 /nfs/dbraw/zinc/82/42/05/401824205.db2.gz PPIXMOANJPLDSS-KRWDZBQOSA-N 1 0 320.481 2.494 50 0 DEAARO Nc1nc(CCNC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)cs1 ZINC000020452144 401824682 /nfs/dbraw/zinc/82/46/82/401824682.db2.gz SXJPNBCEWUPBBH-JTQLQIEISA-N 1 0 322.459 2.184 50 0 DEAARO Cc1csc(CN(C)C2CC[NH+](CCn3cccn3)CC2)n1 ZINC000130519416 401834407 /nfs/dbraw/zinc/83/44/07/401834407.db2.gz LRGJUSHOCWJEAI-UHFFFAOYSA-N 1 0 319.478 2.244 50 0 DEAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)O1 ZINC000028842782 401853064 /nfs/dbraw/zinc/85/30/64/401853064.db2.gz BIUAWPJPAVYQCW-OKILXGFUSA-N 1 0 320.437 2.436 50 0 DEAARO CCC[N@H+](C)C[C@H]1CCN(c2ncc(Br)cn2)C1 ZINC000078563071 401856173 /nfs/dbraw/zinc/85/61/73/401856173.db2.gz AUFXYIPFGIUVNB-LLVKDONJSA-N 1 0 313.243 2.407 50 0 DEAARO Cn1ncc2c1ncnc2N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029528225 401857132 /nfs/dbraw/zinc/85/71/32/401857132.db2.gz VOQNWFPLGSFBKA-AWEZNQCLSA-N 1 0 313.336 2.080 50 0 DEAARO COCCNC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000078604471 401858224 /nfs/dbraw/zinc/85/82/24/401858224.db2.gz USVLAJCZZIWXQJ-UHFFFAOYSA-N 1 0 319.449 2.153 50 0 DEAARO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccccn3)c2)C1 ZINC000078714224 401863131 /nfs/dbraw/zinc/86/31/31/401863131.db2.gz HBKHEEPGOPDHEE-KRWDZBQOSA-N 1 0 324.428 2.391 50 0 DEAARO Cn1nccc1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000030906670 401867010 /nfs/dbraw/zinc/86/70/10/401867010.db2.gz LWMXHUGYUHMXTO-UHFFFAOYSA-N 1 0 324.178 2.201 50 0 DEAARO C[NH+](C)[C@H]1CCN(C(=O)CCc2nnc(C3CCCCC3)o2)C1 ZINC000014977829 401814525 /nfs/dbraw/zinc/81/45/25/401814525.db2.gz XPZZWAULLIVTDZ-AWEZNQCLSA-N 1 0 320.437 2.212 50 0 DEAARO OCc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000015065014 401815779 /nfs/dbraw/zinc/81/57/79/401815779.db2.gz JNNPROZCMAYJFP-GOSISDBHSA-N 1 0 304.434 2.470 50 0 DEAARO CC[NH+]1CCN(CCCNC(=O)c2cc3ccccc3o2)CC1 ZINC000041443585 401928959 /nfs/dbraw/zinc/92/89/59/401928959.db2.gz KVIDJSATHIRUEY-UHFFFAOYSA-N 1 0 315.417 2.190 50 0 DEAARO Cn1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1=O 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CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000095984970 402042727 /nfs/dbraw/zinc/04/27/27/402042727.db2.gz DJDONEJZMYAXSX-KBPBESRZSA-N 1 0 317.838 2.274 50 0 DEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000053202969 402053003 /nfs/dbraw/zinc/05/30/03/402053003.db2.gz MDUTWFJLOAMLPN-GFCCVEGCSA-N 1 0 302.827 2.021 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)CSC2CCCC2)CC1 ZINC000096098341 402058383 /nfs/dbraw/zinc/05/83/83/402058383.db2.gz HUZZPTKLFOYGCF-UHFFFAOYSA-N 1 0 314.495 2.137 50 0 DEAARO O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[N@@H+](C2CC2)CC1 ZINC000096256282 402075679 /nfs/dbraw/zinc/07/56/79/402075679.db2.gz OUBXRGUFAGRSLP-CLTKARDFSA-N 1 0 314.385 2.125 50 0 DEAARO Cc1ccc(NC(=O)CC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000055155084 402076342 /nfs/dbraw/zinc/07/63/42/402076342.db2.gz DSXOCRLQDKPVIF-UHFFFAOYSA-N 1 0 317.433 2.124 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)c(OC)c1OC ZINC000096318710 402077102 /nfs/dbraw/zinc/07/71/02/402077102.db2.gz REBFSLSNYDGWOW-AWEZNQCLSA-N 1 0 308.422 2.286 50 0 DEAARO COC[C@H]1CCC[N@@H+]1Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055183089 402077321 /nfs/dbraw/zinc/07/73/21/402077321.db2.gz ZSCVODGUBDVCLT-CQSZACIVSA-N 1 0 315.417 2.046 50 0 DEAARO CCn1ncnc1[C@@H](C)NC(=O)CC[NH+]1CCCCCCC1 ZINC000055282138 402079091 /nfs/dbraw/zinc/07/90/91/402079091.db2.gz BDVDJZABKQJNHX-CQSZACIVSA-N 1 0 307.442 2.131 50 0 DEAARO CCSc1cncc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000096429494 402085335 /nfs/dbraw/zinc/08/53/35/402085335.db2.gz HIPSQPGDWPQMHK-AWEZNQCLSA-N 1 0 322.478 2.137 50 0 DEAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCc2n[nH]cc2C1 ZINC000096436015 402086204 /nfs/dbraw/zinc/08/62/04/402086204.db2.gz LMBKKSRXVCNPMF-UHFFFAOYSA-N 1 0 324.384 2.416 50 0 DEAARO C[C@H](CNC(=O)N[C@@H]1CCSC1)[N@H+](C)Cc1ccccc1 ZINC000096440063 402087176 /nfs/dbraw/zinc/08/71/76/402087176.db2.gz SMCBPMAJPKEPIC-UKRRQHHQSA-N 1 0 307.463 2.312 50 0 DEAARO COc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)nn1 ZINC000152292422 402087550 /nfs/dbraw/zinc/08/75/50/402087550.db2.gz 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402104016 /nfs/dbraw/zinc/10/40/16/402104016.db2.gz XYHKAHAILRIWSA-BTYIYWSLSA-N 1 0 304.415 2.305 50 0 DEAARO Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1Cl ZINC000097324058 402121818 /nfs/dbraw/zinc/12/18/18/402121818.db2.gz UUUQMTKSJMOVJX-CHWSQXEVSA-N 1 0 322.840 2.318 50 0 DEAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000097159270 402112399 /nfs/dbraw/zinc/11/23/99/402112399.db2.gz PIGGHOUZTAHMRB-AWEZNQCLSA-N 1 0 303.406 2.237 50 0 DEAARO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2)c(-c2cccnc2)n1 ZINC000097159745 402112592 /nfs/dbraw/zinc/11/25/92/402112592.db2.gz SOZAVWARTZXURE-KRWDZBQOSA-N 1 0 308.385 2.305 50 0 DEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N1CCCCCC1 ZINC000097200510 402115584 /nfs/dbraw/zinc/11/55/84/402115584.db2.gz YVHZTYPOQHYMDL-MRXNPFEDSA-N 1 0 316.449 2.218 50 0 DEAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000097229059 402118500 /nfs/dbraw/zinc/11/85/00/402118500.db2.gz YTBIIZIOBOWEGR-MRXNPFEDSA-N 1 0 323.481 2.001 50 0 DEAARO CN(Cc1ccc2nsnc2c1)C(=O)C[C@@H]1CCC[N@@H+]1C ZINC000097636500 402129423 /nfs/dbraw/zinc/12/94/23/402129423.db2.gz AVGWLRCIAPGBCF-LBPRGKRZSA-N 1 0 304.419 2.134 50 0 DEAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000097655319 402129512 /nfs/dbraw/zinc/12/95/12/402129512.db2.gz YHOGDURXDFRGDU-OAJJDEHYSA-N 1 0 315.461 2.030 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000097716759 402131121 /nfs/dbraw/zinc/13/11/21/402131121.db2.gz RVXOKPCGVGMGRR-OAHLLOKOSA-N 1 0 301.390 2.432 50 0 DEAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000097742785 402131672 /nfs/dbraw/zinc/13/16/72/402131672.db2.gz SOFWPOYOXGZTBW-CYBMUJFWSA-N 1 0 301.365 2.332 50 0 DEAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000097831160 402133307 /nfs/dbraw/zinc/13/33/07/402133307.db2.gz HTBYNJAOIKATOZ-QGZVFWFLSA-N 1 0 302.418 2.019 50 0 DEAARO CC[N@H+](C)CCNC(=O)Cc1nc(-c2cccs2)oc1C ZINC000066958671 402147599 /nfs/dbraw/zinc/14/75/99/402147599.db2.gz DWFKLNBTIDUCQS-UHFFFAOYSA-N 1 0 307.419 2.322 50 0 DEAARO COc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1OC ZINC000066948252 402147858 /nfs/dbraw/zinc/14/78/58/402147858.db2.gz FJOCGTUSLYEJLU-AWEZNQCLSA-N 1 0 306.406 2.260 50 0 DEAARO COC(=O)N1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000067254963 402155291 /nfs/dbraw/zinc/15/52/91/402155291.db2.gz PRUGUGOMNFCBDS-UHFFFAOYSA-N 1 0 308.378 2.024 50 0 DEAARO Cc1nc2c(c(=O)n1C)CC[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000067965006 402181063 /nfs/dbraw/zinc/18/10/63/402181063.db2.gz WZRFYAZGZLEVSA-UHFFFAOYSA-N 1 0 322.412 2.171 50 0 DEAARO C[NH+]1CCN(C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000068024741 402182663 /nfs/dbraw/zinc/18/26/63/402182663.db2.gz QVDCISQSJCURRM-IBGZPJMESA-N 1 0 323.440 2.405 50 0 DEAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(Cl)cn2)C1 ZINC000067473162 402160427 /nfs/dbraw/zinc/16/04/27/402160427.db2.gz TUWGWZBGUCASKH-ZDUSSCGKSA-N 1 0 312.845 2.021 50 0 DEAARO CN(CC[NH+](C)C)C(=O)c1coc(COc2ccccc2F)n1 ZINC000067491009 402161272 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CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cnn2ccccc12 ZINC000289103604 403834215 /nfs/dbraw/zinc/83/42/15/403834215.db2.gz CHNBZLPJMZSYMQ-HNNXBMFYSA-N 1 0 316.405 2.435 50 0 DEAARO Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)nc(C)n1 ZINC000347647447 403790573 /nfs/dbraw/zinc/79/05/73/403790573.db2.gz YJIMYDVYHLKNBX-UHFFFAOYSA-N 1 0 304.438 2.430 50 0 DEAARO CN(Cc1ccsc1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426404176 405358282 /nfs/dbraw/zinc/35/82/82/405358282.db2.gz GGWFWHKVHHQFIO-AWEZNQCLSA-N 1 0 318.446 2.070 50 0 DEAARO O[C@@H]1CN(Cc2cscn2)CC[C@H]1[NH2+]C1CCCCCC1 ZINC000426382892 405355786 /nfs/dbraw/zinc/35/57/86/405355786.db2.gz IXHAKWBLYHGHIY-HZPDHXFCSA-N 1 0 309.479 2.391 50 0 DEAARO COc1ccc(-n2c(C[NH3+])nnc2SC[C@H]2CCCO2)cc1 ZINC000426478066 405362372 /nfs/dbraw/zinc/36/23/72/405362372.db2.gz SVTJLYDSEQQEEV-CYBMUJFWSA-N 1 0 320.418 2.006 50 0 DEAARO CC[N@H+](C)CC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1 ZINC000426563092 405368972 /nfs/dbraw/zinc/36/89/72/405368972.db2.gz IUVGDWDYDKKSRG-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/30/08/50/196300850.db2.gz ASKGGSQRWYXZJC-FVQBIDKESA-N 1 0 304.459 2.486 50 0 DEAARO C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247962024 225235125 /nfs/dbraw/zinc/23/51/25/225235125.db2.gz GJJPFLFIMSHLBP-JQHSSLGASA-N 1 0 315.461 2.280 50 0 DEAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)NC(=O)NCc1ccco1 ZINC000252444083 225246493 /nfs/dbraw/zinc/24/64/93/225246493.db2.gz DEESLUCJZOYXNB-KBPBESRZSA-N 1 0 319.405 2.118 50 0 DEAARO NC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000534643526 421694815 /nfs/dbraw/zinc/69/48/15/421694815.db2.gz XAVPWVRALWBPIG-ZDUSSCGKSA-N 1 0 302.422 2.247 50 0 DEAARO COC(=O)c1ccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000048253408 424830980 /nfs/dbraw/zinc/83/09/80/424830980.db2.gz XGVSEFOHIFQBER-IRXDYDNUSA-N 1 0 319.401 2.495 50 0 DEAARO O=C(N[C@H]1CCc2ccc(F)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101387754 424846977 /nfs/dbraw/zinc/84/69/77/424846977.db2.gz RXAIGYVYBQSQOM-WBVHZDCISA-N 1 0 315.392 2.469 50 0 DEAARO COC(=O)[C@H]1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](O)C1 ZINC000107359729 424850305 /nfs/dbraw/zinc/85/03/05/424850305.db2.gz JDLGCUAPLDHNLA-UAGQMJEPSA-N 1 0 321.392 2.318 50 0 DEAARO CC[N@H+](C)C1(CNc2cc([C@@H]3CCOC3)ncn2)CCCCC1 ZINC000426503500 425001715 /nfs/dbraw/zinc/00/17/15/425001715.db2.gz WQBVKEBULIJFKR-OAHLLOKOSA-N 1 0 318.465 3.047 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000122330269 273574944 /nfs/dbraw/zinc/57/49/44/273574944.db2.gz CYEMHJRAOXALGD-NSHDSACASA-N 1 0 314.227 2.395 50 0 DEAARO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000096402313 274172786 /nfs/dbraw/zinc/17/27/86/274172786.db2.gz KCVNFVBKTFDRHU-KRWDZBQOSA-N 1 0 322.474 2.468 50 0 DEAARO C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070020787 274211207 /nfs/dbraw/zinc/21/12/07/274211207.db2.gz VXJIKDCXSBZBCN-RDJZCZTQSA-N 1 0 300.406 2.000 50 0 DEAARO C[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)cc2)[C@H]1C[NH3+] ZINC000237433925 274289356 /nfs/dbraw/zinc/28/93/56/274289356.db2.gz BNUQVIBGXIHXIS-PBHICJAKSA-N 1 0 312.417 2.131 50 0 DEAARO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(n2ccnc2)CC1 ZINC000192061854 275025077 /nfs/dbraw/zinc/02/50/77/275025077.db2.gz QWVGBMUJGSGTGF-KRWDZBQOSA-N 1 0 310.401 2.474 50 0 DEAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC1(O)CCC(C)CC1)CC2 ZINC000096424720 276475914 /nfs/dbraw/zinc/47/59/14/276475914.db2.gz OCVZJWYMCWGSGR-JCCCHCCOSA-N 1 0 311.466 2.180 50 0 DEAARO COc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000089314119 277420254 /nfs/dbraw/zinc/42/02/54/277420254.db2.gz YFQLKSZYFCMTRT-KBPBESRZSA-N 1 0 309.435 2.205 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@@H](c2cccs2)N(C)C)CC1 ZINC000132379456 278088482 /nfs/dbraw/zinc/08/84/82/278088482.db2.gz OVTIUZVJEMOKCI-NRXISQOPSA-N 1 0 309.479 2.388 50 0 DEAARO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000058323648 278203368 /nfs/dbraw/zinc/20/33/68/278203368.db2.gz IIEPKIBFJUESNU-ZDUSSCGKSA-N 1 0 311.385 2.369 50 0 DEAARO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@@H](C)n1cccn1 ZINC000069372285 278359555 /nfs/dbraw/zinc/35/95/55/278359555.db2.gz IWNZZCCFMRGWJO-ZIAGYGMSSA-N 1 0 300.410 2.013 50 0 DEAARO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C1([NH3+])CC1 ZINC000091780349 278572743 /nfs/dbraw/zinc/57/27/43/278572743.db2.gz VLCAWZVFFYCFHT-CYBMUJFWSA-N 1 0 316.449 2.395 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000075489669 279332063 /nfs/dbraw/zinc/33/20/63/279332063.db2.gz ABVBCUDIMQFNJW-KRWDZBQOSA-N 1 0 316.445 2.335 50 0 DEAARO Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4[NH3+])c2ccccc21 ZINC000019331444 294229750 /nfs/dbraw/zinc/22/97/50/294229750.db2.gz MPADLVHLFLIBKM-UHFFFAOYSA-N 1 0 310.445 2.162 50 0 biogenic DEAARO COc1ccc(C[C@H](C[NH3+])CO)cc1-c1cnc2[nH]ccc2c1 ZINC000935617611 782067215 /nfs/dbraw/zinc/06/72/15/782067215.db2.gz CNXJRHKVNGCYNI-CYBMUJFWSA-N 1 0 311.385 2.300 50 0 DEAARO Cc1ncncc1C(=O)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000534585392 334291706 /nfs/dbraw/zinc/29/17/06/334291706.db2.gz LWYLISVCYFBFEU-CQSZACIVSA-N 1 0 302.422 2.169 50 0 DEAARO Cc1nnc2ncc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)cn12 ZINC000534591497 334294474 /nfs/dbraw/zinc/29/44/74/334294474.db2.gz ABUMCVURRQCIQZ-ZDUSSCGKSA-N 1 0 323.400 2.493 50 0 DEAARO CCCc1ccc(OCCNC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000534659169 334315235 /nfs/dbraw/zinc/31/52/35/334315235.db2.gz XASRXIVTUZNMIH-CQSZACIVSA-N 1 0 305.422 2.021 50 0 DEAARO Cc1ccc(CC2([NH2+][C@H](C)CNS(=O)(=O)C3CC3)CC2)cc1 ZINC000534661860 334322087 /nfs/dbraw/zinc/32/20/87/334322087.db2.gz FHBXKEFJPPZJDS-CQSZACIVSA-N 1 0 322.474 2.130 50 0 DEAARO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000130395897 337383164 /nfs/dbraw/zinc/38/31/64/337383164.db2.gz JMUWOMRCTAYMKO-HZPDHXFCSA-N 1 0 323.481 2.461 50 0 DEAARO CC(C)[NH+]1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 ZINC000012441454 519669602 /nfs/dbraw/zinc/66/96/02/519669602.db2.gz NVJGNOZZXPKNHT-UHFFFAOYSA-N 1 0 324.490 2.269 50 0 DEAARO [NH3+]CCCOc1ccc(C(=O)N2CC(c3ccncc3)C2)cc1 ZINC000299776635 534618089 /nfs/dbraw/zinc/61/80/89/534618089.db2.gz BHYRXBQZLKVXDH-UHFFFAOYSA-N 1 0 311.385 2.049 50 0 DEAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(O)c1 ZINC000249779816 524613664 /nfs/dbraw/zinc/61/36/64/524613664.db2.gz PKTIPGPPXXDIBK-KGLIPLIRSA-N 1 0 305.422 2.312 50 0 DEAARO CCC[C@]1(C(=O)OCC)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000408514844 528486741 /nfs/dbraw/zinc/48/67/41/528486741.db2.gz IHZPBLSCGDGAHR-QGZVFWFLSA-N 1 0 310.438 2.053 50 0 DEAARO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCC[C@]1(C)CO ZINC000348225177 535786465 /nfs/dbraw/zinc/78/64/65/535786465.db2.gz SPIDATZSHPOKDU-GOSISDBHSA-N 1 0 322.424 2.411 50 0 DEAARO Cc1cc(C)c2[nH]c(CN3CCO[C@H](CC[NH3+])C3)cc(=O)c2c1 ZINC000253536103 563784316 /nfs/dbraw/zinc/78/43/16/563784316.db2.gz ABLWKLCMPUJKMT-OAHLLOKOSA-N 1 0 315.417 2.107 50 0 DEAARO CC(C)OC(=O)c1cccnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252485824 563915852 /nfs/dbraw/zinc/91/58/52/563915852.db2.gz AUEPZGWZJQZYNM-AWEZNQCLSA-N 1 0 303.406 2.321 50 0 DEAARO Cc1ccc2[nH]c(C[NH+]3CCC(c4nnc[nH]4)CC3)cc(=O)c2c1 ZINC000091907511 624126158 /nfs/dbraw/zinc/12/61/58/624126158.db2.gz AOSBQEZJSGYBSF-UHFFFAOYSA-N 1 0 323.400 2.334 50 0 DEAARO Cc1cc(N2CC[NH+](CCO)CC2)nc2cc(Cl)ccc12 ZINC000023634772 625208207 /nfs/dbraw/zinc/20/82/07/625208207.db2.gz RRYLYHBUFAIHLM-UHFFFAOYSA-N 1 0 305.809 2.311 50 0 DEAARO [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)N2CCCC2)c1 ZINC000299755428 633254225 /nfs/dbraw/zinc/25/42/25/633254225.db2.gz COLUMICQDRBWKA-UHFFFAOYSA-N 1 0 324.384 2.029 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000125442061 633709324 /nfs/dbraw/zinc/70/93/24/633709324.db2.gz FNDUJSYWDPBAFU-LBPRGKRZSA-N 1 0 306.381 2.186 50 0 DEAARO CN(C)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257187783 633917970 /nfs/dbraw/zinc/91/79/70/633917970.db2.gz MCXVMMBRYIFFPJ-LHHMISFZSA-N 1 0 307.482 2.050 50 0 DEAARO O=c1c2ccc(Br)cc2ncn1[C@H]1CCC[NH2+]C1 ZINC000258170507 634241473 /nfs/dbraw/zinc/24/14/73/634241473.db2.gz LLJCUIFOCQOHNE-JTQLQIEISA-N 1 0 308.179 2.084 50 0 DEAARO COc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010316 634837531 /nfs/dbraw/zinc/83/75/31/634837531.db2.gz CFNSALLUPQHSPQ-ZBFHGGJFSA-N 1 0 310.397 2.476 50 0 DEAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1[C@H]1CCOC1 ZINC000011976313 635927731 /nfs/dbraw/zinc/92/77/31/635927731.db2.gz HPUGQUJAASOELE-CABCVRRESA-N 1 0 306.381 2.085 50 0 DEAARO COc1ccc2c(c1)CN(C[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000171647945 646709200 /nfs/dbraw/zinc/70/92/00/646709200.db2.gz ZTHOLTAESAISTC-GOSISDBHSA-N 1 0 318.461 2.146 50 0 DEAARO Cc1ccc(OC[C@@H]2C[NH2+]C[C@H](C(=O)N3CCCCC3)C2)cn1 ZINC000014743794 683848721 /nfs/dbraw/zinc/84/87/21/683848721.db2.gz NDQLDEFEINMEFQ-JKSUJKDBSA-N 1 0 317.433 2.007 50 0 DEAARO CCC(O)(CC)c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019146225 683858076 /nfs/dbraw/zinc/85/80/76/683858076.db2.gz XITHTQCBXPARNQ-UHFFFAOYSA-N 1 0 302.378 2.093 50 0 DEAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2cc3ccccc3o2)C1 ZINC000067965253 683925828 /nfs/dbraw/zinc/92/58/28/683925828.db2.gz PIWJOXOUIPUVOJ-AWEZNQCLSA-N 1 0 302.374 2.273 50 0 DEAARO COc1ccc(COCCN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000864096482 686619344 /nfs/dbraw/zinc/61/93/44/686619344.db2.gz ANZDEXFFCYZVTE-UHFFFAOYSA-N 1 0 313.401 2.247 50 0 DEAARO C[C@@]1(NC(=O)c2cc(F)c(F)c(F)c2F)C[NH+]2CCC1CC2 ZINC000585127224 790321148 /nfs/dbraw/zinc/32/11/48/790321148.db2.gz TZHYDEDEIGPBAK-OAHLLOKOSA-N 1 0 316.298 2.457 50 0 DEAARO Cc1cc(C)n(C2CN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)n1 ZINC000952869639 792786425 /nfs/dbraw/zinc/78/64/25/792786425.db2.gz KVRYFXOEQMYBCL-UHFFFAOYSA-N 1 0 316.449 2.292 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1nccc2ccccc21 ZINC000952874846 792790156 /nfs/dbraw/zinc/79/01/56/792790156.db2.gz BXTQPKXWJXVDSC-OCCSQVGLSA-N 1 0 304.415 2.463 50 0 DEAARO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000952877653 792793823 /nfs/dbraw/zinc/79/38/23/792793823.db2.gz SVNADZVMADWJTO-FFSVYQOJSA-N 1 0 322.380 2.342 50 0 DEAARO CCOc1cccnc1N1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000952884000 792798284 /nfs/dbraw/zinc/79/82/84/792798284.db2.gz QWOXUWSZLRWHTD-CVEARBPZSA-N 1 0 319.449 2.417 50 0 DEAARO Cc1cc(C(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3)C2)no1 ZINC000952977433 792842888 /nfs/dbraw/zinc/84/28/88/792842888.db2.gz VOSLSOMSIVIFBG-ZDUSSCGKSA-N 1 0 300.362 2.024 50 0 DEAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccnn1C ZINC000952979612 792845555 /nfs/dbraw/zinc/84/55/55/792845555.db2.gz OKDNWKWPOKCNAU-CQSZACIVSA-N 1 0 316.405 2.490 50 0 DEAARO CCc1nccn1CCC[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000952984684 792865978 /nfs/dbraw/zinc/86/59/78/792865978.db2.gz LYYNPAONMLPSMM-UHFFFAOYSA-N 1 0 322.416 2.477 50 0 DEAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000952986301 792866692 /nfs/dbraw/zinc/86/66/92/792866692.db2.gz GQCAXMOCAVINIA-ZDUSSCGKSA-N 1 0 316.367 2.499 50 0 DEAARO Cc1noc(C)c1CC(=O)N(C)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001529142491 1070878942 /nfs/dbraw/zinc/87/89/42/1070878942.db2.gz PLBMUJBJNJUDPT-GEEKYZPCSA-N 1 0 319.449 2.411 50 0 DEAARO C([C@@H]1CCCO1)N1CCC([NH2+]C2CSCCSC2)CC1 ZINC001506401859 1061944485 /nfs/dbraw/zinc/94/44/85/1061944485.db2.gz GJIWSFOSZFZWPH-HNNXBMFYSA-N 1 0 316.536 2.068 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC001506421538 1061962736 /nfs/dbraw/zinc/96/27/36/1061962736.db2.gz JCYRLBXEIRVEDM-CQSZACIVSA-N 1 0 317.412 2.373 50 0 DEAARO Cn1ccnc1CC[NH+]1CCC(OCc2cccnc2)CC1 ZINC001506431493 1061978716 /nfs/dbraw/zinc/97/87/16/1061978716.db2.gz MJOVMATWLSJWLI-UHFFFAOYSA-N 1 0 300.406 2.039 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CCCC2)C1 ZINC000821746037 1090609749 /nfs/dbraw/zinc/60/97/49/1090609749.db2.gz KNLRNYXUISBJEJ-HNNXBMFYSA-N 1 0 302.484 2.216 50 0 DEAARO C[N@@H+]1CCC[C@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)C1 ZINC000823778014 1090697926 /nfs/dbraw/zinc/69/79/26/1090697926.db2.gz YVISAYCMXPCUFJ-INIZCTEOSA-N 1 0 314.495 2.314 50 0 DEAARO C[NH+](C)[C@H]1CCCN(C(=O)Cc2nc3ccccc3[nH]2)CC1 ZINC000426523280 230803485 /nfs/dbraw/zinc/80/34/85/230803485.db2.gz YESMWFGCHODPNR-ZDUSSCGKSA-N 1 0 300.406 2.048 50 0 DEAARO Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000299780225 282145711 /nfs/dbraw/zinc/14/57/11/282145711.db2.gz BTRXSVYSKZBKHZ-CQSZACIVSA-N 1 0 302.422 2.169 50 0 DEAARO Cc1cc(N2CC[NH+](CC3(O)CCCC3)CC2)nc(C(C)C)n1 ZINC000078970903 185137446 /nfs/dbraw/zinc/13/74/46/185137446.db2.gz HVSFMOHZHWMRDH-UHFFFAOYSA-N 1 0 318.465 2.336 50 0 DEAARO C[C@@H]1C[C@H](Nc2ccc(CC[NH+]3CCSCC3)cc2)C(=O)O1 ZINC000079030207 185147591 /nfs/dbraw/zinc/14/75/91/185147591.db2.gz WQIAJSZZQNOLAM-CJNGLKHVSA-N 1 0 320.458 2.394 50 0 DEAARO COc1ccccc1CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278709035 214344705 /nfs/dbraw/zinc/34/47/05/214344705.db2.gz PRVKZSLFCDYAFQ-HNNXBMFYSA-N 1 0 304.434 2.380 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000032780828 282179446 /nfs/dbraw/zinc/17/94/46/282179446.db2.gz PEZKVKCGDVUYAX-FUHWJXTLSA-N 1 0 310.397 2.409 50 0 DEAARO CCc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1C(C)(C)C ZINC000299738691 529475522 /nfs/dbraw/zinc/47/55/22/529475522.db2.gz FHTLDAYPUHKIGZ-OLZOCXBDSA-N 1 0 306.454 2.400 50 0 DEAARO CC[N@H+](CCOC[C@@H]1CCCO1)C[C@@H]1COc2ccccc2O1 ZINC000089969222 185272399 /nfs/dbraw/zinc/27/23/99/185272399.db2.gz RIPPSRILOKIQDE-JKSUJKDBSA-N 1 0 321.417 2.344 50 0 DEAARO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090115980 185283001 /nfs/dbraw/zinc/28/30/01/185283001.db2.gz AJVUUMTZESNQJS-ZFWWWQNUSA-N 1 0 316.405 2.119 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2sc(CC)nc2C)C1 ZINC000090409918 185294789 /nfs/dbraw/zinc/29/47/89/185294789.db2.gz GQYDGXYFEXMGRJ-PWSUYJOCSA-N 1 0 310.467 2.468 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000167258888 197705440 /nfs/dbraw/zinc/70/54/40/197705440.db2.gz LJEGEIDKDMNPRS-LBPRGKRZSA-N 1 0 313.492 2.238 50 0 DEAARO O=C(C[C@H]1CCc2ccccc21)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082120523 192357991 /nfs/dbraw/zinc/35/79/91/192357991.db2.gz GFUZEFVICKJHBY-OAHLLOKOSA-N 1 0 324.428 2.113 50 0 DEAARO CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000082120059 192358339 /nfs/dbraw/zinc/35/83/39/192358339.db2.gz PBSSXXSGOHGCHT-ATLSCFEFSA-N 1 0 324.428 2.204 50 0 DEAARO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)CO2 ZINC000095418951 185359658 /nfs/dbraw/zinc/35/96/58/185359658.db2.gz SLLGIBHWXWISQV-ZFWWWQNUSA-N 1 0 303.406 2.164 50 0 DEAARO c1cnn(-c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cn2)c1 ZINC000095409409 185357107 /nfs/dbraw/zinc/35/71/07/185357107.db2.gz KITRYTVQBBSEIS-UHFFFAOYSA-N 1 0 304.357 2.433 50 0 DEAARO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000095410764 185357147 /nfs/dbraw/zinc/35/71/47/185357147.db2.gz VSILUGHFGOPLJV-HZPDHXFCSA-N 1 0 316.449 2.241 50 0 DEAARO Cc1c(F)cccc1S(=O)(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000095432028 185363379 /nfs/dbraw/zinc/36/33/79/185363379.db2.gz OWYMTACHAHRALX-AWEZNQCLSA-N 1 0 308.378 2.112 50 0 DEAARO Cn1cnc2cc(C[NH2+]CCC(=O)NCc3ccccc3)ccc21 ZINC000095445329 185367433 /nfs/dbraw/zinc/36/74/33/185367433.db2.gz SPZBTEQONCHCKT-UHFFFAOYSA-N 1 0 322.412 2.369 50 0 DEAARO Cc1nn(C)c2nc(N3CC[NH+](C4CCCC4)CC3)sc12 ZINC000095508615 282285234 /nfs/dbraw/zinc/28/52/34/282285234.db2.gz QNOKXCXZFBCXLJ-UHFFFAOYSA-N 1 0 305.451 2.403 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)CCCC(F)(F)F)CC1 ZINC000095457703 185370298 /nfs/dbraw/zinc/37/02/98/185370298.db2.gz QDPNOQGARFYEFI-UHFFFAOYSA-N 1 0 310.360 2.290 50 0 DEAARO c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)CO2 ZINC000095457753 185370432 /nfs/dbraw/zinc/37/04/32/185370432.db2.gz FBOHUFGLSNFYDY-AEFFLSMTSA-N 1 0 301.386 2.390 50 0 DEAARO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1 ZINC000095469052 185372283 /nfs/dbraw/zinc/37/22/83/185372283.db2.gz NYMIVXOJHPSKTM-ZDUSSCGKSA-N 1 0 319.430 2.183 50 0 DEAARO Cn1cc([C@@](C)(O)C[NH2+][C@H]2CCCc3cc(F)ccc32)cn1 ZINC000097033363 185399776 /nfs/dbraw/zinc/39/97/76/185399776.db2.gz VHVUXDXJKBVCRA-IRXDYDNUSA-N 1 0 303.381 2.434 50 0 DEAARO O[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)c1ccccc1F ZINC000097159157 185417074 /nfs/dbraw/zinc/41/70/74/185417074.db2.gz KCNKDHLHOLNJMP-INIZCTEOSA-N 1 0 312.348 2.434 50 0 DEAARO CC(C)(CCS(C)(=O)=O)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084045655 539392350 /nfs/dbraw/zinc/39/23/50/539392350.db2.gz QIMCDBOUBJMBHJ-UHFFFAOYSA-N 1 0 309.435 2.113 50 0 DEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC000169751659 539613490 /nfs/dbraw/zinc/61/34/90/539613490.db2.gz VGWXFTDQXUYXSS-UHFFFAOYSA-N 1 0 303.362 2.279 50 0 DEAARO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000071738795 191019941 /nfs/dbraw/zinc/01/99/41/191019941.db2.gz RNCSGGZUXPMMPZ-OAHLLOKOSA-N 1 0 306.381 2.291 50 0 DEAARO CN(C)c1nc2c(c(NCCCc3ccccc3)n1)CC[NH2+]C2 ZINC000071764410 191026958 /nfs/dbraw/zinc/02/69/58/191026958.db2.gz LMONYWCXDFUAMQ-UHFFFAOYSA-N 1 0 311.433 2.233 50 0 DEAARO CNC(=O)O[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071769293 191030301 /nfs/dbraw/zinc/03/03/01/191030301.db2.gz IISFPHYBOMXAGZ-AWEZNQCLSA-N 1 0 308.353 2.219 50 0 DEAARO O=C(c1ccc[nH]1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072146334 191052437 /nfs/dbraw/zinc/05/24/37/191052437.db2.gz MITIIPLOKDSNLG-KRWDZBQOSA-N 1 0 309.413 2.330 50 0 DEAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000072154248 191059818 /nfs/dbraw/zinc/05/98/18/191059818.db2.gz IQXOSVYUAGEGAV-GOSISDBHSA-N 1 0 304.434 2.123 50 0 DEAARO CS(=O)(=O)c1ccc(CN2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000072161295 191062445 /nfs/dbraw/zinc/06/24/45/191062445.db2.gz PPESDEYOFTVHCB-UHFFFAOYSA-N 1 0 322.474 2.056 50 0 DEAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccs2)ncn1 ZINC000072254082 191089099 /nfs/dbraw/zinc/08/90/99/191089099.db2.gz LAEBYSWIALJBKZ-GFCCVEGCSA-N 1 0 303.435 2.338 50 0 DEAARO C[NH+](C)C[C@@](C)(O)CNc1ncc(Cl)cc1Br ZINC000225599446 186282456 /nfs/dbraw/zinc/28/24/56/186282456.db2.gz UDYWHSLOHVXMCL-NSHDSACASA-N 1 0 322.634 2.222 50 0 DEAARO C[N@H+]1C[C@H]2CN(C(=O)c3nc(-c4ccccc4)cs3)C[C@H]2C1 ZINC000253392916 186303497 /nfs/dbraw/zinc/30/34/97/186303497.db2.gz IQQOCBLWZPEEQX-OKILXGFUSA-N 1 0 313.426 2.444 50 0 DEAARO Cn1cc(CN2CCC[N@H+](CCSC(C)(C)C)CC2)cn1 ZINC000253393904 186303786 /nfs/dbraw/zinc/30/37/86/186303786.db2.gz WMSRINGDSOHDQM-UHFFFAOYSA-N 1 0 310.511 2.460 50 0 DEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCn1cccn1 ZINC000253408525 186308696 /nfs/dbraw/zinc/30/86/96/186308696.db2.gz KUPGUSGRPUNXBB-IAGOWNOFSA-N 1 0 318.465 2.386 50 0 biogenic DEAARO O=C(Cc1ccncc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182180918 199399797 /nfs/dbraw/zinc/39/97/97/199399797.db2.gz MCNBLASSIPRTDR-UHFFFAOYSA-N 1 0 310.401 2.052 50 0 DEAARO CC[NH+](CC)CCN1C(=O)c2cccc3cc(N)cc(c32)C1=O ZINC000003954552 181058781 /nfs/dbraw/zinc/05/87/81/181058781.db2.gz QDFFNSUDGUZZSJ-UHFFFAOYSA-N 1 0 311.385 2.360 50 0 in-vitro DEAARO Cc1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000065521415 354685425 /nfs/dbraw/zinc/68/54/25/354685425.db2.gz CYXLIGWYLCMTCJ-OAHLLOKOSA-N 1 0 308.389 2.081 50 0 DEAARO COc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(OC)c1 ZINC000066157786 354702696 /nfs/dbraw/zinc/70/26/96/354702696.db2.gz BLORXTIORMARRW-AWEZNQCLSA-N 1 0 319.405 2.406 50 0 DEAARO CCN(CC)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069863221 354879790 /nfs/dbraw/zinc/87/97/90/354879790.db2.gz HTVBQMUWFUJSSS-QGZVFWFLSA-N 1 0 318.465 2.027 50 0 DEAARO CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 ZINC000072255110 354899198 /nfs/dbraw/zinc/89/91/98/354899198.db2.gz KREBRVUSFIZFIY-WBVHZDCISA-N 1 0 312.417 2.007 50 0 DEAARO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1 ZINC000075681180 355101794 /nfs/dbraw/zinc/10/17/94/355101794.db2.gz YOXAJKJZYWDSNX-MAUKXSAKSA-N 1 0 316.445 2.327 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000004990208 181185712 /nfs/dbraw/zinc/18/57/12/181185712.db2.gz UYHHBIMZDYSKCQ-CYBMUJFWSA-N 1 0 323.389 2.185 50 0 DEAARO c1n[nH]cc1CCC[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890764 355283267 /nfs/dbraw/zinc/28/32/67/355283267.db2.gz OGTOKWPCBXHZEN-CQSZACIVSA-N 1 0 301.394 2.482 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000081031860 355403295 /nfs/dbraw/zinc/40/32/95/355403295.db2.gz AWMHVBMCXLFBTA-UHFFFAOYSA-N 1 0 302.418 2.240 50 0 DEAARO Cc1cnc(CN(Cc2csc(C)n2)[C@H]2CC[N@@H+](C)C2)o1 ZINC000089702340 355541492 /nfs/dbraw/zinc/54/14/92/355541492.db2.gz VZYOLOINKABRKQ-AWEZNQCLSA-N 1 0 306.435 2.454 50 0 DEAARO CN1CC[NH+](C[C@H]2CCCN(c3ncccc3Cl)C2)CC1 ZINC000088719155 355518008 /nfs/dbraw/zinc/51/80/08/355518008.db2.gz PKDCQOGLPBNZGD-CQSZACIVSA-N 1 0 308.857 2.199 50 0 DEAARO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CCSCC1 ZINC000090938559 355569967 /nfs/dbraw/zinc/56/99/67/355569967.db2.gz MKPJGYYFTGRMNB-GFCCVEGCSA-N 1 0 303.431 2.270 50 0 DEAARO CC1(C)[C@H]([NH2+]CC(=O)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000123702908 355806149 /nfs/dbraw/zinc/80/61/49/355806149.db2.gz ZKJQFWSJSQYDHQ-HZPDHXFCSA-N 1 0 302.418 2.017 50 0 DEAARO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128751163 355830252 /nfs/dbraw/zinc/83/02/52/355830252.db2.gz NBTDJBINRWDKPA-GJZGRUSLSA-N 1 0 302.426 2.404 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[S@](C)=O ZINC000170591561 355986850 /nfs/dbraw/zinc/98/68/50/355986850.db2.gz ISRHFWLOFWMTDX-OABGYEMISA-N 1 0 310.419 2.061 50 0 DEAARO COCC[NH2+]CC(=O)Nc1nc(Cc2ccccc2)c(C)s1 ZINC000170677459 355990832 /nfs/dbraw/zinc/99/08/32/355990832.db2.gz PUPGEQOOWPTIDU-UHFFFAOYSA-N 1 0 319.430 2.217 50 0 DEAARO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000195549805 356256100 /nfs/dbraw/zinc/25/61/00/356256100.db2.gz NVKYEWLNHFDHID-CABCVRRESA-N 1 0 316.511 2.196 50 0 DEAARO C[C@H](CCc1ccc(F)c(F)c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000195549885 356256177 /nfs/dbraw/zinc/25/61/77/356256177.db2.gz PTYOBJMEODWSRL-YPMHNXCESA-N 1 0 317.401 2.453 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000195543075 356256209 /nfs/dbraw/zinc/25/62/09/356256209.db2.gz LHOWUGVULVBEJA-MOPGFXCFSA-N 1 0 324.424 2.465 50 0 DEAARO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCO1 ZINC000195560818 356257152 /nfs/dbraw/zinc/25/71/52/356257152.db2.gz LVPMLGFLMWILHJ-NOLJZWGESA-N 1 0 306.381 2.478 50 0 DEAARO O[C@H](C[NH+]1CCC(COc2ccccn2)CC1)C(F)(F)F ZINC000195564311 356258316 /nfs/dbraw/zinc/25/83/16/356258316.db2.gz OOYXIRSEOBASFT-GFCCVEGCSA-N 1 0 304.312 2.096 50 0 DEAARO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000229478688 356282051 /nfs/dbraw/zinc/28/20/51/356282051.db2.gz BAGOMSBZKFSCKC-AEFFLSMTSA-N 1 0 314.433 2.341 50 0 DEAARO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000194874185 356245951 /nfs/dbraw/zinc/24/59/51/356245951.db2.gz KTPCWJRYPOCUJR-QGZVFWFLSA-N 1 0 307.438 2.448 50 0 DEAARO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236934463 202078553 /nfs/dbraw/zinc/07/85/53/202078553.db2.gz PHEFEDONFWUNPU-UONOGXRCSA-N 1 0 306.406 2.180 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000237162231 202171509 /nfs/dbraw/zinc/17/15/09/202171509.db2.gz SBNHAYJWHLTJLK-JKSUJKDBSA-N 1 0 301.434 2.373 50 0 DEAARO CC(C)(C)n1cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cn1 ZINC000580844103 357089955 /nfs/dbraw/zinc/08/99/55/357089955.db2.gz LYRJYWZBVCSHOT-HNNXBMFYSA-N 1 0 318.465 2.375 50 0 DEAARO COc1cccc2ncn(C[C@@H](C)[NH+]3CCCCC3)c(=O)c21 ZINC000584895157 357328942 /nfs/dbraw/zinc/32/89/42/357328942.db2.gz MQCPBRWZHRPAMD-CYBMUJFWSA-N 1 0 301.390 2.280 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000179019775 198970169 /nfs/dbraw/zinc/97/01/69/198970169.db2.gz OPQVCULNWXFAKP-LLVKDONJSA-N 1 0 318.808 2.412 50 0 DEAARO COc1ccc(CN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000237277366 202214135 /nfs/dbraw/zinc/21/41/35/202214135.db2.gz OTQMBWKPFYJQCO-HNNXBMFYSA-N 1 0 302.418 2.352 50 0 DEAARO [NH3+]C1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000237865348 202374253 /nfs/dbraw/zinc/37/42/53/202374253.db2.gz IUYXKTYBJLVUPS-UHFFFAOYSA-N 1 0 316.323 2.468 50 0 DEAARO C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc3C2)C(C)(C)CO1 ZINC000189150269 200356519 /nfs/dbraw/zinc/35/65/19/200356519.db2.gz KNPKRWIDSIOFFW-HNNXBMFYSA-N 1 0 316.445 2.461 50 0 DEAARO Cc1nncn1CC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000670443343 540934029 /nfs/dbraw/zinc/93/40/29/540934029.db2.gz NUELVEOVJJHIIS-OAHLLOKOSA-N 1 0 324.432 2.353 50 0 DEAARO [NH3+][C@H]1CCCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)C1 ZINC000606443358 361008157 /nfs/dbraw/zinc/00/81/57/361008157.db2.gz VYGLRLGLKWZTMZ-WOLRVDTOSA-N 1 0 300.811 2.064 50 0 DEAARO COCCOC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670457722 540936791 /nfs/dbraw/zinc/93/67/91/540936791.db2.gz OBBJUUHJINXQMD-QGZVFWFLSA-N 1 0 304.434 2.393 50 0 DEAARO C[C@@H](O)CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000192443439 200877780 /nfs/dbraw/zinc/87/77/80/200877780.db2.gz ZCIDSQWYUWNPRX-OAHLLOKOSA-N 1 0 319.449 2.099 50 0 DEAARO CCn1cc(CN2CCC[N@H+](C[C@@H]3CCC=CO3)CC2)cn1 ZINC000193909465 201143315 /nfs/dbraw/zinc/14/33/15/201143315.db2.gz AYYNRRJYWYXFBS-KRWDZBQOSA-N 1 0 304.438 2.103 50 0 DEAARO c1ccc(SCC[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000194038992 201167289 /nfs/dbraw/zinc/16/72/89/201167289.db2.gz TZAAVEMSCIMNCQ-UHFFFAOYSA-N 1 0 300.431 2.391 50 0 DEAARO CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000195138703 201346749 /nfs/dbraw/zinc/34/67/49/201346749.db2.gz BEAUWXCTDNEYCD-HNNXBMFYSA-N 1 0 301.434 2.245 50 0 DEAARO C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@]12CCNC(=O)CC2 ZINC000091547091 193071950 /nfs/dbraw/zinc/07/19/50/193071950.db2.gz NABUPSVXKJSTNY-KRWDZBQOSA-N 1 0 321.852 2.126 50 0 DEAARO Cn1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000091574708 193074997 /nfs/dbraw/zinc/07/49/97/193074997.db2.gz UFURJAQHBLFFDS-IAGOWNOFSA-N 1 0 324.428 2.157 50 0 DEAARO COC[C@]1(O)CC[N@H+](Cc2ccc3nsnc3c2)CC1(C)C ZINC000091475456 193061532 /nfs/dbraw/zinc/06/15/32/193061532.db2.gz RWJPJKMQCTVHRF-MRXNPFEDSA-N 1 0 321.446 2.301 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1cccs1)C2 ZINC000091664075 193087035 /nfs/dbraw/zinc/08/70/35/193087035.db2.gz WSTNYZMQBRZDHX-HUUCEWRRSA-N 1 0 322.474 2.250 50 0 DEAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)C[NH3+])C1 ZINC000091726266 193097923 /nfs/dbraw/zinc/09/79/23/193097923.db2.gz KFPDVZLBUBDXHC-CQSZACIVSA-N 1 0 316.380 2.100 50 0 DEAARO COCC(=O)N[C@H]1C[N@H+](C/C(C)=C/c2ccco2)C[C@@H]1C1CC1 ZINC000091747109 193101229 /nfs/dbraw/zinc/10/12/29/193101229.db2.gz OVHWQXBGPREZAR-CYJKWWOWSA-N 1 0 318.417 2.156 50 0 DEAARO CC(=O)c1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1 ZINC000091808340 193110873 /nfs/dbraw/zinc/11/08/73/193110873.db2.gz AOMNAIYSRVJJJC-XJKSGUPXSA-N 1 0 301.390 2.447 50 0 DEAARO C[N@@H+](CCc1ccccc1)CCN1C[C@@]2(CCOC2)CCC1=O ZINC000091830339 193114482 /nfs/dbraw/zinc/11/44/82/193114482.db2.gz YCQLCHGMXJYUST-IBGZPJMESA-N 1 0 316.445 2.190 50 0 DEAARO CCC[NH+]1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091988127 193137319 /nfs/dbraw/zinc/13/73/19/193137319.db2.gz KBXCXEQMPLZLOB-UHFFFAOYSA-N 1 0 314.437 2.447 50 0 DEAARO COC(=O)[C@H]1C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000282034371 216711639 /nfs/dbraw/zinc/71/16/39/216711639.db2.gz ZNEWEKMKPLRKCE-OLZOCXBDSA-N 1 0 301.346 2.075 50 0 DEAARO O=S(=O)(CC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000095908549 193448510 /nfs/dbraw/zinc/44/85/10/193448510.db2.gz RZFVWYLHZUKLGM-UHFFFAOYSA-N 1 0 318.236 2.222 50 0 DEAARO c1ccn2c(c1)nnc2CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095987747 193479770 /nfs/dbraw/zinc/47/97/70/193479770.db2.gz RNWQDYJBXDFWNG-XKQJLSEDSA-N 1 0 312.417 2.209 50 0 DEAARO COc1cccc(OCc2nc(C)nn2C2CC[NH+](C)CC2)c1 ZINC000096151394 193553302 /nfs/dbraw/zinc/55/33/02/193553302.db2.gz YGBMLWITMHHWDP-UHFFFAOYSA-N 1 0 316.405 2.441 50 0 DEAARO CC[NH+](CC)CCNC(=O)CCC(=O)N[C@H](C)c1ccccc1 ZINC000009659621 181633691 /nfs/dbraw/zinc/63/36/91/181633691.db2.gz ACVRKJFWYSGKRX-OAHLLOKOSA-N 1 0 319.449 2.102 50 0 DEAARO COc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000013613569 181869137 /nfs/dbraw/zinc/86/91/37/181869137.db2.gz NVIUIAKNOLUBHH-UHFFFAOYSA-N 1 0 320.433 2.239 50 0 DEAARO O=c1cc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)nc2sccn21 ZINC000015456773 182003593 /nfs/dbraw/zinc/00/35/93/182003593.db2.gz LGEQWOAUPKEQHP-QWRGUYRKSA-N 1 0 320.443 2.260 50 0 DEAARO Cc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2ccc(O)cc2)C1=O ZINC000018088159 182092733 /nfs/dbraw/zinc/09/27/33/182092733.db2.gz PGXRADMQFBMASA-INIZCTEOSA-N 1 0 324.380 2.165 50 0 DEAARO CCOc1ccc(CN2CC[N@H+](CC3CC3)C[C@@H]2CCO)cc1 ZINC000019836186 182155075 /nfs/dbraw/zinc/15/50/75/182155075.db2.gz WVJVRIWVCPNCNN-SFHVURJKSA-N 1 0 318.461 2.364 50 0 DEAARO CCOc1ccccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000019939611 182167876 /nfs/dbraw/zinc/16/78/76/182167876.db2.gz CNMBHJFVNCBAPN-UHFFFAOYSA-N 1 0 304.434 2.382 50 0 DEAARO C[N@@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CCO ZINC000020209430 182197813 /nfs/dbraw/zinc/19/78/13/182197813.db2.gz RBRMKPCSKJBROQ-AWEZNQCLSA-N 1 0 302.340 2.204 50 0 DEAARO CCCN1CC[C@H]([NH+]2CCC(C(=O)OCC)CC2)CCC1=O ZINC000020780024 182246756 /nfs/dbraw/zinc/24/67/56/182246756.db2.gz ZUODOBKHMIOXBA-OAHLLOKOSA-N 1 0 310.438 2.053 50 0 DEAARO CCCC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020857403 182249293 /nfs/dbraw/zinc/24/92/93/182249293.db2.gz MZLLACQPYYMMHF-CJNGLKHVSA-N 1 0 309.479 2.341 50 0 DEAARO O=C(Nc1ccc(F)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022789454 182335259 /nfs/dbraw/zinc/33/52/59/182335259.db2.gz SBUDOWHYGVTPPF-UHFFFAOYSA-N 1 0 320.412 2.071 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)Cc2cccc(C)c2)CC1 ZINC000023014283 182344969 /nfs/dbraw/zinc/34/49/69/182344969.db2.gz JGVUVUACFFSCAI-UHFFFAOYSA-N 1 0 304.434 2.012 50 0 DEAARO COc1ccc([C@@H](CNc2cc(Cl)nc(N)n2)[NH+](C)C)cc1 ZINC000024056396 182374642 /nfs/dbraw/zinc/37/46/42/182374642.db2.gz UZKOTJNWTPVAJV-GFCCVEGCSA-N 1 0 321.812 2.436 50 0 DEAARO NC(=O)c1ccc(C[NH+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000024828318 182392385 /nfs/dbraw/zinc/39/23/85/182392385.db2.gz KCFQYLKVSQVKAJ-UHFFFAOYSA-N 1 0 323.396 2.049 50 0 DEAARO CNc1snc(C)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000040108840 183036937 /nfs/dbraw/zinc/03/69/37/183036937.db2.gz BBNOGNRRICNNQM-LLVKDONJSA-N 1 0 310.467 2.345 50 0 DEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000040597516 183107049 /nfs/dbraw/zinc/10/70/49/183107049.db2.gz VQWVTCGETVHNLK-SNVBAGLBSA-N 1 0 320.817 2.099 50 0 DEAARO COc1ccc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)cn1 ZINC000042202892 183241947 /nfs/dbraw/zinc/24/19/47/183241947.db2.gz DIUZVXQMZVWOLB-UHFFFAOYSA-N 1 0 316.357 2.160 50 0 DEAARO O=C(NC[C@@H]1CCCO1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042864147 183314992 /nfs/dbraw/zinc/31/49/92/183314992.db2.gz BVHQJMFFKFDDCJ-AWEZNQCLSA-N 1 0 323.462 2.144 50 0 DEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1nncs1 ZINC000043130313 183340060 /nfs/dbraw/zinc/34/00/60/183340060.db2.gz OXGYUAJSHSVQMP-JTQLQIEISA-N 1 0 307.379 2.090 50 0 DEAARO C[N@@H+]1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CCO ZINC000104346636 194001289 /nfs/dbraw/zinc/00/12/89/194001289.db2.gz RBRMKPCSKJBROQ-CQSZACIVSA-N 1 0 302.340 2.204 50 0 DEAARO Cc1cccc(C2(C(=O)NCCCC[NH+]3CCOCC3)CC2)c1 ZINC000053056377 183884901 /nfs/dbraw/zinc/88/49/01/183884901.db2.gz YMPOLHQEWQDLKD-UHFFFAOYSA-N 1 0 316.445 2.255 50 0 DEAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(NC(=O)C2CC2)c1 ZINC000057553149 184042046 /nfs/dbraw/zinc/04/20/46/184042046.db2.gz SKQAPZPWXQMKAV-HNNXBMFYSA-N 1 0 313.401 2.002 50 0 DEAARO C[NH+](C)[C@@H](CNc1cncc(-n2cccn2)n1)c1ccsc1 ZINC000058077474 184073195 /nfs/dbraw/zinc/07/31/95/184073195.db2.gz MPRMQEJBLTXUOW-ZDUSSCGKSA-N 1 0 314.418 2.439 50 0 DEAARO O=C(COCc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058344089 184107345 /nfs/dbraw/zinc/10/73/45/184107345.db2.gz UWXPIRLNQJEWPB-KRWDZBQOSA-N 1 0 302.418 2.290 50 0 DEAARO O=C(NC1CC1)C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000058357109 184108059 /nfs/dbraw/zinc/10/80/59/184108059.db2.gz XFVVLWQIUGXOAZ-UHFFFAOYSA-N 1 0 324.428 2.363 50 0 DEAARO O=C(CN1CCC([NH+]2CCCCC2)CC1)NCc1ccccc1 ZINC000058282281 184099457 /nfs/dbraw/zinc/09/94/57/184099457.db2.gz ITDXEXYGRFQUSE-UHFFFAOYSA-N 1 0 315.461 2.253 50 0 DEAARO COc1c(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)nn1C ZINC000058313354 184104053 /nfs/dbraw/zinc/10/40/53/184104053.db2.gz BDXVLYXAQBVOOV-SUMWQHHRSA-N 1 0 308.470 2.337 50 0 DEAARO Cc1noc2ncc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc12 ZINC000058393884 184112747 /nfs/dbraw/zinc/11/27/47/184112747.db2.gz FWVSZCJWYNZZSP-CYBMUJFWSA-N 1 0 316.405 2.381 50 0 DEAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 ZINC000058405223 184113606 /nfs/dbraw/zinc/11/36/06/184113606.db2.gz QQSUFEJPICUNOF-CHWSQXEVSA-N 1 0 314.389 2.047 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)COc1ccccc1F ZINC000058416387 184115188 /nfs/dbraw/zinc/11/51/88/184115188.db2.gz HNRKEHVJUKFVEI-LBPRGKRZSA-N 1 0 320.412 2.491 50 0 DEAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc2c(c1)OCO2 ZINC000062001528 184200523 /nfs/dbraw/zinc/20/05/23/184200523.db2.gz HIVLLLMSCJPNTB-SJLPKXTDSA-N 1 0 308.337 2.340 50 0 biogenic DEAARO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000269080749 207227831 /nfs/dbraw/zinc/22/78/31/207227831.db2.gz HUTWYHWHAIAUNI-SJORKVTESA-N 1 0 302.418 2.101 50 0 DEAARO Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1CC[NH+]1CCCC1 ZINC000065178094 184313895 /nfs/dbraw/zinc/31/38/95/184313895.db2.gz VHQLZWZSOVJTLM-INIZCTEOSA-N 1 0 319.449 2.110 50 0 DEAARO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000269169559 207290716 /nfs/dbraw/zinc/29/07/16/207290716.db2.gz SPCFZIZDPIKYSI-VHSXEESVSA-N 1 0 300.761 2.054 50 0 DEAARO O=C(Cn1ccnc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000065288878 184323234 /nfs/dbraw/zinc/32/32/34/184323234.db2.gz ULRGEUZCODLILD-INIZCTEOSA-N 1 0 304.438 2.140 50 0 DEAARO C[N@@H+](CCC(=O)Nc1cccnc1)CC[C@@H](O)c1ccccc1 ZINC000065372246 184329731 /nfs/dbraw/zinc/32/97/31/184329731.db2.gz LUQHUPQTQQGESS-QGZVFWFLSA-N 1 0 313.401 2.466 50 0 DEAARO CCOC(=O)c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065376619 184331336 /nfs/dbraw/zinc/33/13/36/184331336.db2.gz LQVSFGWPYXXDJH-OLZOCXBDSA-N 1 0 317.389 2.222 50 0 DEAARO COCC(=O)N1CCC[N@H+](C/C(C)=C/c2ccccc2)CC1 ZINC000065382813 184332486 /nfs/dbraw/zinc/33/24/86/184332486.db2.gz OZFUOGWFAZTFOV-DTQAZKPQSA-N 1 0 302.418 2.271 50 0 DEAARO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)nn(C)c2Cl)cc1 ZINC000065463746 184349723 /nfs/dbraw/zinc/34/97/23/184349723.db2.gz DPKOGDUWPKURCY-AWEZNQCLSA-N 1 0 309.797 2.214 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000269183230 207303979 /nfs/dbraw/zinc/30/39/79/207303979.db2.gz IZCPRUKIJRYBSS-IUODEOHRSA-N 1 0 316.380 2.353 50 0 DEAARO Cc1ccsc1[C@@H]1CCN(C(=O)CC[NH+]2CCCC2)C[C@H]1O ZINC000065536477 184362584 /nfs/dbraw/zinc/36/25/84/184362584.db2.gz XQWLXXNKBJUAQA-HUUCEWRRSA-N 1 0 322.474 2.219 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000065548008 184364299 /nfs/dbraw/zinc/36/42/99/184364299.db2.gz TZYLGQLATOVATE-OAHLLOKOSA-N 1 0 314.389 2.259 50 0 DEAARO Cc1cccc(C)c1OC[C@H](C)[NH2+]CC(=O)Nc1cnccn1 ZINC000065498711 184355432 /nfs/dbraw/zinc/35/54/32/184355432.db2.gz XQFQPNWCLXJOKD-AWEZNQCLSA-N 1 0 314.389 2.089 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000065623339 184374835 /nfs/dbraw/zinc/37/48/35/184374835.db2.gz OAWMCWGCNFDQOY-AWEZNQCLSA-N 1 0 315.417 2.174 50 0 DEAARO CCOC(=O)N1CCC([NH2+]Cc2[nH]nc3c2CCCCC3)CC1 ZINC000067725232 184482518 /nfs/dbraw/zinc/48/25/18/184482518.db2.gz MZZMBCWNNFOMIK-UHFFFAOYSA-N 1 0 320.437 2.389 50 0 DEAARO O=C(CC[N@H+]1CCCC[C@H]1CCO)N1CCc2ccccc21 ZINC000069249644 184505688 /nfs/dbraw/zinc/50/56/88/184505688.db2.gz QQDSIIRTOXYZRO-INIZCTEOSA-N 1 0 302.418 2.203 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000299738621 532983640 /nfs/dbraw/zinc/98/36/40/532983640.db2.gz CXOCZONRUGIRQK-VXGBXAGGSA-N 1 0 316.854 2.229 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000119932529 195064515 /nfs/dbraw/zinc/06/45/15/195064515.db2.gz DHCVZDLJPUDHJS-NXHRZFHOSA-N 1 0 316.445 2.440 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000159071047 197324841 /nfs/dbraw/zinc/32/48/41/197324841.db2.gz YZVUVJJSZWNNMR-YOEHRIQHSA-N 1 0 302.418 2.149 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc(Br)s2)C1 ZINC000158400238 197269102 /nfs/dbraw/zinc/26/91/02/197269102.db2.gz XSTSWPSEFNEXOL-DNQSNQRASA-N 1 0 315.236 2.474 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@H](C)[NH2+]1 ZINC000153545400 196887037 /nfs/dbraw/zinc/88/70/37/196887037.db2.gz AEMMLUAJOLOHEF-KBPBESRZSA-N 1 0 320.408 2.083 50 0 DEAARO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000521396266 257240231 /nfs/dbraw/zinc/24/02/31/257240231.db2.gz FUQPCHIUHLIOHR-IRXDYDNUSA-N 1 0 302.418 2.405 50 0 DEAARO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccccc2F)cc1 ZINC000314573398 257242947 /nfs/dbraw/zinc/24/29/47/257242947.db2.gz OJFVLZYOOQTLOY-MRXNPFEDSA-N 1 0 323.389 2.052 50 0 DEAARO CSCC[C@H](O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000294212403 533662419 /nfs/dbraw/zinc/66/24/19/533662419.db2.gz CNMGITDLNKFKSK-INIZCTEOSA-N 1 0 322.474 2.013 50 0 DEAARO CCOC(=O)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000753470 134441820 /nfs/dbraw/zinc/44/18/20/134441820.db2.gz AGXMCCATPJQHMY-UHFFFAOYSA-N 1 0 317.433 2.430 50 0 DEAARO CCOC1(OCC)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000036533497 286009310 /nfs/dbraw/zinc/00/93/10/286009310.db2.gz NREYAFTVKXEXRE-GFCCVEGCSA-N 1 0 302.415 2.032 50 0 DEAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000071864403 401688781 /nfs/dbraw/zinc/68/87/81/401688781.db2.gz BNDPVZPMOIWCMW-HUUCEWRRSA-N 1 0 315.417 2.229 50 0 DEAARO C[C@H](CNC(=O)CCc1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000071867438 401689331 /nfs/dbraw/zinc/68/93/31/401689331.db2.gz KXELXPOPAVBJTF-CQSZACIVSA-N 1 0 323.868 2.025 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000071875670 401690232 /nfs/dbraw/zinc/69/02/32/401690232.db2.gz PIRBFAVZGTWXPV-CJNGLKHVSA-N 1 0 307.344 2.359 50 0 DEAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2[C@H](C(N)=O)c2ccccc2)n1 ZINC000071876077 401690373 /nfs/dbraw/zinc/69/03/73/401690373.db2.gz NYCONMAAGPSQGH-SJORKVTESA-N 1 0 312.417 2.191 50 0 DEAARO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000000293792 401693526 /nfs/dbraw/zinc/69/35/26/401693526.db2.gz PMZUUWRPJLICJK-UHFFFAOYSA-N 1 0 307.390 2.479 50 0 DEAARO C[N@H+](CCc1ccccc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000071897210 401694093 /nfs/dbraw/zinc/69/40/93/401694093.db2.gz DNMKWJFHDNMOIS-CYBMUJFWSA-N 1 0 318.314 2.463 50 0 DEAARO O[C@H](COc1ccccc1)CN1c2ccccc2N2CC[NH+]=C12 ZINC000000301977 401694105 /nfs/dbraw/zinc/69/41/05/401694105.db2.gz LANOFCYDNTXDBD-AWEZNQCLSA-N 1 0 309.369 2.123 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)/C=C/c1cccnc1 ZINC000071903973 401694850 /nfs/dbraw/zinc/69/48/50/401694850.db2.gz MGTUOCNPGYTNLK-BQYQJAHWSA-N 1 0 310.401 2.080 50 0 DEAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC000000353016 401695300 /nfs/dbraw/zinc/69/53/00/401695300.db2.gz MIXARTSGVVLQPS-INIZCTEOSA-N 1 0 321.417 2.010 50 0 DEAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000072268845 401705039 /nfs/dbraw/zinc/70/50/39/401705039.db2.gz VEJAKVSKFSXGRP-CABCVRRESA-N 1 0 324.856 2.357 50 0 DEAARO CC[C@H]1CN(CCOc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000072279686 401705921 /nfs/dbraw/zinc/70/59/21/401705921.db2.gz APCWNYMKOGNEBH-SJORKVTESA-N 1 0 306.450 2.151 50 0 DEAARO Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)no1 ZINC000072284677 401706230 /nfs/dbraw/zinc/70/62/30/401706230.db2.gz HZUXPSCLEYQOGK-HIFRSBDPSA-N 1 0 320.437 2.349 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C)[nH]c2=O)[NH+](C)C)cc1 ZINC000075124621 401750202 /nfs/dbraw/zinc/75/02/02/401750202.db2.gz LBOCDKMHPQAMHP-MRXNPFEDSA-N 1 0 313.401 2.024 50 0 DEAARO CC[NH+](CC)CC(=O)NCc1cc(OC)nc2ccccc12 ZINC000075158912 401753108 /nfs/dbraw/zinc/75/31/08/401753108.db2.gz RIBHNKXKMDYHRI-UHFFFAOYSA-N 1 0 301.390 2.201 50 0 DEAARO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000014185545 401809236 /nfs/dbraw/zinc/80/92/36/401809236.db2.gz ZJQBVNRIUWCNRE-UHFFFAOYSA-N 1 0 305.422 2.495 50 0 DEAARO COc1ccccc1OCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000008673895 401754747 /nfs/dbraw/zinc/75/47/47/401754747.db2.gz ULOWNNPYZSHDKU-UHFFFAOYSA-N 1 0 320.433 2.455 50 0 DEAARO OC1(C[NH2+]Cc2ccc(F)c(Br)c2)CCOCC1 ZINC000112717131 401755868 /nfs/dbraw/zinc/75/58/68/401755868.db2.gz LJTCXJQOMYIHDJ-UHFFFAOYSA-N 1 0 318.186 2.219 50 0 DEAARO CN(C)c1ccccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000075717418 401767513 /nfs/dbraw/zinc/76/75/13/401767513.db2.gz RRRQXWHIMKHIQE-UHFFFAOYSA-N 1 0 301.434 2.339 50 0 DEAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCCS(C)(=O)=O)c1 ZINC000075838566 401769952 /nfs/dbraw/zinc/76/99/52/401769952.db2.gz XVDPTWARCYMBBW-INIZCTEOSA-N 1 0 310.463 2.324 50 0 DEAARO CSC[C@H](C)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000076018043 401777346 /nfs/dbraw/zinc/77/73/46/401777346.db2.gz VGNBGKSBYBBVQO-JQWIXIFHSA-N 1 0 301.481 2.402 50 0 DEAARO COCCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000011934606 401778283 /nfs/dbraw/zinc/77/82/83/401778283.db2.gz GVVGMHUSJDDXLX-UHFFFAOYSA-N 1 0 318.461 2.436 50 0 DEAARO CCCc1nnc([C@H]2CN(CC[NH2+]C3CCCCC3)CCO2)[nH]1 ZINC000076049591 401779075 /nfs/dbraw/zinc/77/90/75/401779075.db2.gz BGFRGEBHWLAFLL-OAHLLOKOSA-N 1 0 321.469 2.053 50 0 DEAARO COc1ccccc1C1(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000076050830 401779230 /nfs/dbraw/zinc/77/92/30/401779230.db2.gz FNZSOHORXYKYBB-ZFWWWQNUSA-N 1 0 302.418 2.135 50 0 DEAARO CC(C)[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 ZINC000012570651 401788114 /nfs/dbraw/zinc/78/81/14/401788114.db2.gz XVTSFFQRJSKACF-HNNXBMFYSA-N 1 0 318.465 2.449 50 0 DEAARO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000012577216 401788435 /nfs/dbraw/zinc/78/84/35/401788435.db2.gz XNEVRVWAWZVDNB-LSDHHAIUSA-N 1 0 317.433 2.136 50 0 DEAARO Cc1ccc(F)c(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000076331557 401790988 /nfs/dbraw/zinc/79/09/88/401790988.db2.gz NZOIUTGKVDRSCL-CQSZACIVSA-N 1 0 323.412 2.493 50 0 DEAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019367713 401822130 /nfs/dbraw/zinc/82/21/30/401822130.db2.gz RWRZHMOUEJRKMT-BRSBDYLESA-N 1 0 312.498 2.072 50 0 DEAARO Cc1noc(C)c1CN1c2cc([C@H](C)[NH3+])ccc2OCC1=O ZINC000019768182 401823233 /nfs/dbraw/zinc/82/32/33/401823233.db2.gz YCJYVWBQWDJCMC-VIFPVBQESA-N 1 0 301.346 2.237 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccsc3)cn2)CC1 ZINC000025325266 401832724 /nfs/dbraw/zinc/83/27/24/401832724.db2.gz XKBTYMQTKZYGJN-UHFFFAOYSA-N 1 0 316.430 2.076 50 0 DEAARO COc1cc(CCC2CC[NH+](CCC(N)=O)CC2)cc(OC)c1 ZINC000025307385 401832758 /nfs/dbraw/zinc/83/27/58/401832758.db2.gz AFAMUNGMXPSVAV-UHFFFAOYSA-N 1 0 320.433 2.224 50 0 DEAARO Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025421039 401834467 /nfs/dbraw/zinc/83/44/67/401834467.db2.gz ZEMLAOWJUALXAQ-INIZCTEOSA-N 1 0 301.390 2.253 50 0 DEAARO Cc1cc(C[NH2+]CCC(=O)NCc2ccncc2)ccc1F ZINC000078552431 401855798 /nfs/dbraw/zinc/85/57/98/401855798.db2.gz UINJAOYUJJNRCQ-UHFFFAOYSA-N 1 0 301.365 2.325 50 0 DEAARO O=c1cc(CN2CCO[C@@H](c3ccccc3)C2)nc2ccccn12 ZINC000029535550 401857107 /nfs/dbraw/zinc/85/71/07/401857107.db2.gz YRJRTKOKVTWQNE-QGZVFWFLSA-N 1 0 321.380 2.268 50 0 DEAARO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000078602394 401857822 /nfs/dbraw/zinc/85/78/22/401857822.db2.gz BMEYGEPYPRXTBF-UHFFFAOYSA-N 1 0 323.389 2.398 50 0 DEAARO COc1ccc(C[NH2+]CCc2cnn(C)c2)c(Cl)c1OC ZINC000078796759 401866428 /nfs/dbraw/zinc/86/64/28/401866428.db2.gz WNCWRQZFGOUQMG-UHFFFAOYSA-N 1 0 309.797 2.423 50 0 DEAARO C[NH+](C)CC[C@H]1CN(C(=O)CCCc2ccc(F)cc2)CCO1 ZINC000015063230 401815093 /nfs/dbraw/zinc/81/50/93/401815093.db2.gz NBZZVVSGMZZWHL-KRWDZBQOSA-N 1 0 322.424 2.328 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000032268110 401877535 /nfs/dbraw/zinc/87/75/35/401877535.db2.gz ANXYPIKYGSZGIP-OAHLLOKOSA-N 1 0 312.360 2.051 50 0 DEAARO Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)n2ncnc2n1 ZINC000032717213 401881518 /nfs/dbraw/zinc/88/15/18/401881518.db2.gz UJHLQLVFBJNEOM-HNNXBMFYSA-N 1 0 310.405 2.018 50 0 DEAARO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000034118316 401892689 /nfs/dbraw/zinc/89/26/89/401892689.db2.gz XRTJXPJQATUXQS-IUODEOHRSA-N 1 0 302.374 2.202 50 0 DEAARO Nc1cc[nH+]cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000082315105 401900127 /nfs/dbraw/zinc/90/01/27/401900127.db2.gz QBEKPDXJVHSGLJ-UHFFFAOYSA-N 1 0 316.792 2.280 50 0 DEAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036095440 401901778 /nfs/dbraw/zinc/90/17/78/401901778.db2.gz MEXXGZWKHNXECF-MRXNPFEDSA-N 1 0 313.413 2.450 50 0 DEAARO O=C(CCc1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103439 401902440 /nfs/dbraw/zinc/90/24/40/401902440.db2.gz GUUAXVHBJVURBJ-UHFFFAOYSA-N 1 0 316.445 2.190 50 0 DEAARO [NH3+][C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000036297614 401904219 /nfs/dbraw/zinc/90/42/19/401904219.db2.gz DZWRGWPEZQASHL-ZDUSSCGKSA-N 1 0 310.806 2.318 50 0 DEAARO [NH3+][C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000036297541 401904537 /nfs/dbraw/zinc/90/45/37/401904537.db2.gz ZPYKMQZKCBNJFG-SNVBAGLBSA-N 1 0 316.835 2.380 50 0 DEAARO CCNc1cc(NCCNC(=O)c2cccs2)nc(C)[nH+]1 ZINC000036708075 401906645 /nfs/dbraw/zinc/90/66/45/401906645.db2.gz BOTFFSARXYIZBK-UHFFFAOYSA-N 1 0 305.407 2.120 50 0 DEAARO [NH3+]C1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000036753491 401907683 /nfs/dbraw/zinc/90/76/83/401907683.db2.gz MQQLXRSHXOKQME-UHFFFAOYSA-N 1 0 301.159 2.152 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000036977183 401909589 /nfs/dbraw/zinc/90/95/89/401909589.db2.gz XSUAWPUTAVUYMQ-LBPRGKRZSA-N 1 0 315.186 2.347 50 0 DEAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)cc2C)C1 ZINC000084735494 401909610 /nfs/dbraw/zinc/90/96/10/401909610.db2.gz ASFSSAURDCPYOG-AWEZNQCLSA-N 1 0 319.449 2.314 50 0 DEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000046502947 401970651 /nfs/dbraw/zinc/97/06/51/401970651.db2.gz PIYDCMIHTATIDW-AWEZNQCLSA-N 1 0 304.390 2.073 50 0 DEAARO C[C@@H](CNC(=O)NCc1cc(-c2ccccc2)no1)[NH+](C)C ZINC000089901071 401971950 /nfs/dbraw/zinc/97/19/50/401971950.db2.gz DJLQLLGJTSQZSY-LBPRGKRZSA-N 1 0 302.378 2.091 50 0 DEAARO COc1ccc(-c2cnc(CN3CC[N@H+](C)C[C@H]3C)o2)cc1 ZINC000089939317 401975701 /nfs/dbraw/zinc/97/57/01/401975701.db2.gz VNJOEZBMCMZTBJ-CYBMUJFWSA-N 1 0 301.390 2.486 50 0 DEAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cncc(Br)c1 ZINC000046995746 401977715 /nfs/dbraw/zinc/97/77/15/401977715.db2.gz IHJSOCJGOCQQFX-QWHCGFSZSA-N 1 0 324.222 2.201 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC000047144246 401979448 /nfs/dbraw/zinc/97/94/48/401979448.db2.gz CBNCMYJHYPOORD-HNNXBMFYSA-N 1 0 312.417 2.477 50 0 DEAARO C[NH+](C)Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1 ZINC000089319460 401942302 /nfs/dbraw/zinc/94/23/02/401942302.db2.gz MRMLKVGRCGVJFJ-UHFFFAOYSA-N 1 0 323.393 2.224 50 0 DEAARO C[NH+](C)C[C@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000089314189 401942329 /nfs/dbraw/zinc/94/23/29/401942329.db2.gz YBZXRGONZBKONS-KRWDZBQOSA-N 1 0 322.412 2.455 50 0 DEAARO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000044834843 401948056 /nfs/dbraw/zinc/94/80/56/401948056.db2.gz SAWXBWBFPPCNLJ-MRXNPFEDSA-N 1 0 302.349 2.090 50 0 DEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000044892514 401949458 /nfs/dbraw/zinc/94/94/58/401949458.db2.gz PXCINJUHWUBHLK-HUUCEWRRSA-N 1 0 321.421 2.285 50 0 DEAARO c1cnn(-c2cc(C[NH2+]Cc3ccc4c(c3)OCCO4)ccn2)c1 ZINC000095350099 402026738 /nfs/dbraw/zinc/02/67/38/402026738.db2.gz WBNAWSZVHWMBBE-UHFFFAOYSA-N 1 0 322.368 2.328 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000095358237 402027591 /nfs/dbraw/zinc/02/75/91/402027591.db2.gz XBQGCGAJQXESIR-KRWDZBQOSA-N 1 0 322.424 2.486 50 0 DEAARO O=C(C[NH+]1CCCCCC1)NCCN1CCc2ccccc21 ZINC000051093380 402031358 /nfs/dbraw/zinc/03/13/58/402031358.db2.gz UKFLJXMUEBVAQB-UHFFFAOYSA-N 1 0 301.434 2.041 50 0 DEAARO CN(C)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000095384650 402031394 /nfs/dbraw/zinc/03/13/94/402031394.db2.gz SSSBBOSLMZIOBK-OAHLLOKOSA-N 1 0 309.429 2.132 50 0 DEAARO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CC(C)(C)OC3(C)C)C2)cn1 ZINC000095423285 402032401 /nfs/dbraw/zinc/03/24/01/402032401.db2.gz IZVYZKKSWMLDOH-HIFRSBDPSA-N 1 0 306.454 2.325 50 0 DEAARO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1 ZINC000095420179 402032707 /nfs/dbraw/zinc/03/27/07/402032707.db2.gz OPPCBBMPOZRWOC-LBPRGKRZSA-N 1 0 322.434 2.033 50 0 DEAARO COc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cccn2)c1 ZINC000051180471 402032797 /nfs/dbraw/zinc/03/27/97/402032797.db2.gz IWOOXENZQPYROE-DOTOQJQBSA-N 1 0 301.390 2.090 50 0 DEAARO CC(=O)c1cc(F)ccc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000095439009 402032964 /nfs/dbraw/zinc/03/29/64/402032964.db2.gz GSJCDDMBYPEJDZ-HNNXBMFYSA-N 1 0 309.381 2.500 50 0 DEAARO CCCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095522274 402034097 /nfs/dbraw/zinc/03/40/97/402034097.db2.gz OTWDZKBYLVXFBS-KRWDZBQOSA-N 1 0 304.434 2.272 50 0 DEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000095753386 402034349 /nfs/dbraw/zinc/03/43/49/402034349.db2.gz WIVHHJZQKWCBGX-LESCRADOSA-N 1 0 310.397 2.001 50 0 biogenic DEAARO Cc1nccn1CCCN(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000095972462 402039389 /nfs/dbraw/zinc/03/93/89/402039389.db2.gz YWNSZPATWRJDAF-KKUMJFAQSA-N 1 0 306.454 2.301 50 0 DEAARO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccncc1 ZINC000095979841 402041279 /nfs/dbraw/zinc/04/12/79/402041279.db2.gz IAFXHIYNLPFGIM-XJKSGUPXSA-N 1 0 305.422 2.052 50 0 DEAARO C[C@@H](CCNC(=O)N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC000096011053 402046868 /nfs/dbraw/zinc/04/68/68/402046868.db2.gz QIJWBNBJQUYEJW-HNNXBMFYSA-N 1 0 311.470 2.319 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000053202514 402052071 /nfs/dbraw/zinc/05/20/71/402052071.db2.gz YHFRVMRJCIPWIX-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)s1 ZINC000048671352 402005537 /nfs/dbraw/zinc/00/55/37/402005537.db2.gz RYBDZNCISDPSSL-UHFFFAOYSA-N 1 0 314.476 2.305 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C\c2nccs2)cn1 ZINC000096256379 402075683 /nfs/dbraw/zinc/07/56/83/402075683.db2.gz IJFHGAAQNFIBIQ-WAYWQWQTSA-N 1 0 319.434 2.333 50 0 DEAARO C[NH+](C)C1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000096410144 402079490 /nfs/dbraw/zinc/07/94/90/402079490.db2.gz YKLLPGIKQNHEFV-AWEZNQCLSA-N 1 0 302.418 2.495 50 0 DEAARO O=C1OCCN1CC[N@@H+]1CCC[C@@H](COc2ccccc2)C1 ZINC000096411345 402080197 /nfs/dbraw/zinc/08/01/97/402080197.db2.gz TYZPVILQXNQZAK-OAHLLOKOSA-N 1 0 304.390 2.230 50 0 DEAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000096419625 402082303 /nfs/dbraw/zinc/08/23/03/402082303.db2.gz UNZDNFQFRNAWLP-OAGGEKHMSA-N 1 0 302.418 2.292 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000122577398 402084583 /nfs/dbraw/zinc/08/45/83/402084583.db2.gz FUNCCQWGUGTOGB-LBPRGKRZSA-N 1 0 315.186 2.412 50 0 DEAARO O=C(NCCc1cc(F)ccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096447368 402089093 /nfs/dbraw/zinc/08/90/93/402089093.db2.gz GZFICNMRJVMOAY-OAHLLOKOSA-N 1 0 323.387 2.387 50 0 DEAARO FC(F)(F)c1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000096453182 402090818 /nfs/dbraw/zinc/09/08/18/402090818.db2.gz WMDNWQXSXOGSFE-LBPRGKRZSA-N 1 0 315.339 2.401 50 0 DEAARO CC[C@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000096495031 402096484 /nfs/dbraw/zinc/09/64/84/402096484.db2.gz DRGAGJKNOGQFOO-UONOGXRCSA-N 1 0 305.422 2.283 50 0 DEAARO COc1ccnc2c(NC(=O)N3CCC[N@H+](C)CC3)cccc12 ZINC000096499976 402097176 /nfs/dbraw/zinc/09/71/76/402097176.db2.gz MAIXCNFDJKVTFT-UHFFFAOYSA-N 1 0 314.389 2.413 50 0 DEAARO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000097038353 402101241 /nfs/dbraw/zinc/10/12/41/402101241.db2.gz IWAWBLVMRDMIFY-LBPRGKRZSA-N 1 0 317.437 2.159 50 0 DEAARO C[C@@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000097037668 402101446 /nfs/dbraw/zinc/10/14/46/402101446.db2.gz JXTIBVBVLGMCJF-CYBMUJFWSA-N 1 0 316.405 2.389 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000097038968 402101616 /nfs/dbraw/zinc/10/16/16/402101616.db2.gz VTZGBBJFVHJVAG-CUOATXAZSA-N 1 0 312.772 2.351 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000097082194 402105046 /nfs/dbraw/zinc/10/50/46/402105046.db2.gz QUGICRZCUIDFIP-SFHVURJKSA-N 1 0 316.445 2.450 50 0 DEAARO CCS(=O)(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000097098433 402107119 /nfs/dbraw/zinc/10/71/19/402107119.db2.gz XKZJZZQTAQNYFT-UHFFFAOYSA-N 1 0 314.476 2.040 50 0 DEAARO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000097146868 402111551 /nfs/dbraw/zinc/11/15/51/402111551.db2.gz JSWCHDQRJQQUKE-SNVBAGLBSA-N 1 0 320.817 2.194 50 0 DEAARO C[C@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000063492220 402113152 /nfs/dbraw/zinc/11/31/52/402113152.db2.gz SDHCVMMWWINKIQ-CXAGYDPISA-N 1 0 323.396 2.218 50 0 DEAARO O[C@H](CNCc1c[nH]nc1-c1cccs1)C[NH+]1CCCCC1 ZINC000097197315 402114651 /nfs/dbraw/zinc/11/46/51/402114651.db2.gz GNIKLNCRNCBRKC-CQSZACIVSA-N 1 0 320.462 2.075 50 0 DEAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000097202644 402116879 /nfs/dbraw/zinc/11/68/79/402116879.db2.gz TXMMATJBGSVBDC-QGZVFWFLSA-N 1 0 315.417 2.337 50 0 DEAARO Cc1ccc(F)c(NC(=O)NC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000096151117 402062676 /nfs/dbraw/zinc/06/26/76/402062676.db2.gz SEUSRZRJQJXDOS-AWEZNQCLSA-N 1 0 323.412 2.493 50 0 DEAARO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000065501270 402125398 /nfs/dbraw/zinc/12/53/98/402125398.db2.gz WTCRKOAUNSHNON-ZWKOTPCHSA-N 1 0 316.445 2.236 50 0 DEAARO CC(=O)c1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000097729624 402131581 /nfs/dbraw/zinc/13/15/81/402131581.db2.gz LSVBYXSWZSEBOB-UHFFFAOYSA-N 1 0 315.398 2.308 50 0 DEAARO COCC[NH+]1CCC(C(=O)N(C)Cc2cc(C)cc(C)n2)CC1 ZINC000097775834 402132108 /nfs/dbraw/zinc/13/21/08/402132108.db2.gz QZYNMFGFUKKQFX-UHFFFAOYSA-N 1 0 319.449 2.015 50 0 DEAARO CN1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000097772794 402132194 /nfs/dbraw/zinc/13/21/94/402132194.db2.gz BRTZWABEUIJNCI-DCKQQPRJSA-N 1 0 303.425 2.161 50 0 DEAARO C[C@H]1CN(C(=O)CCc2nc3ccccc3s2)C[C@H](C)[NH2+]1 ZINC000153307254 402138340 /nfs/dbraw/zinc/13/83/40/402138340.db2.gz JPZPPWYYEFKKIR-RYUDHWBXSA-N 1 0 303.431 2.438 50 0 DEAARO CC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2OC)CC1 ZINC000097378806 402124024 /nfs/dbraw/zinc/12/40/24/402124024.db2.gz RKBRAQZUXDSRKP-UHFFFAOYSA-N 1 0 310.825 2.492 50 0 DEAARO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000101237044 402144192 /nfs/dbraw/zinc/14/41/92/402144192.db2.gz ZSNLUBSCABOBPC-SJORKVTESA-N 1 0 304.434 2.392 50 0 DEAARO CCn1nc(C)c(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000067015838 402150538 /nfs/dbraw/zinc/15/05/38/402150538.db2.gz XUNFNXXVNUIMKO-CYBMUJFWSA-N 1 0 321.469 2.193 50 0 DEAARO COc1c(C)cnc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1C ZINC000067226561 402154760 /nfs/dbraw/zinc/15/47/60/402154760.db2.gz DQMNQRIBMFOXEM-UHFFFAOYSA-N 1 0 305.422 2.007 50 0 DEAARO CCn1c(=O)n(C/C=C/c2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000067982411 402181494 /nfs/dbraw/zinc/18/14/94/402181494.db2.gz PFXHSMYMMJADBJ-JCVNQNCUSA-N 1 0 312.417 2.245 50 0 DEAARO CCc1nnsc1C(=O)NCC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000067446767 402159703 /nfs/dbraw/zinc/15/97/03/402159703.db2.gz PUHNXIBGIAFBSI-LBPRGKRZSA-N 1 0 310.467 2.341 50 0 DEAARO COc1ccc(NC(C)(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000067446814 402159840 /nfs/dbraw/zinc/15/98/40/402159840.db2.gz YIDSBBVLXJFCCR-AWEZNQCLSA-N 1 0 319.449 2.344 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(F)cc2)n1 ZINC000067601982 402164150 /nfs/dbraw/zinc/16/41/50/402164150.db2.gz HXOQCLGOXSKQOP-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO C[NH+]1CCC(CCNC(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000067602112 402164360 /nfs/dbraw/zinc/16/43/60/402164360.db2.gz QKOFWUKJOPAWLW-UHFFFAOYSA-N 1 0 318.417 2.196 50 0 DEAARO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3sc(N)nc3c(C)c2)C1 ZINC000067677804 402167335 /nfs/dbraw/zinc/16/73/35/402167335.db2.gz RSHLUDVZHRLNDU-LLVKDONJSA-N 1 0 318.446 2.259 50 0 DEAARO O=C(NC1(C[NH+]2CCCCC2)CCCCC1)c1cnccn1 ZINC000067755180 402171184 /nfs/dbraw/zinc/17/11/84/402171184.db2.gz ZDRISMCAAWKANW-UHFFFAOYSA-N 1 0 302.422 2.395 50 0 DEAARO CC[N@@H+]1CCO[C@H](CCNC(=O)Nc2ccc(OC)cc2C)C1 ZINC000067756997 402172019 /nfs/dbraw/zinc/17/20/19/402172019.db2.gz OSVBUFAFYZAPRX-OAHLLOKOSA-N 1 0 321.421 2.236 50 0 DEAARO CCCCc1ccc(C[NH+]2CCC3(CC2)NCCNC3=O)s1 ZINC000067868422 402176827 /nfs/dbraw/zinc/17/68/27/402176827.db2.gz VMTAIWYUBQFLRV-UHFFFAOYSA-N 1 0 321.490 2.145 50 0 DEAARO COC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000067895925 402178054 /nfs/dbraw/zinc/17/80/54/402178054.db2.gz KNWZFENEUHSMFZ-HNNXBMFYSA-N 1 0 322.424 2.497 50 0 DEAARO O=C(CC[N@H+]1CCCC[C@@H]1CCO)N1CCc2ccccc21 ZINC000069249643 402216709 /nfs/dbraw/zinc/21/67/09/402216709.db2.gz QQDSIIRTOXYZRO-MRXNPFEDSA-N 1 0 302.418 2.203 50 0 DEAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)[C@@H](C)n1cccn1 ZINC000069351269 402219489 /nfs/dbraw/zinc/21/94/89/402219489.db2.gz CWOBJPSMQZWYMV-CHWSQXEVSA-N 1 0 314.368 2.342 50 0 DEAARO Cc1ccoc1C[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C ZINC000106918600 402222431 /nfs/dbraw/zinc/22/24/31/402222431.db2.gz ZELBEEGQAMHBIF-KGLIPLIRSA-N 1 0 314.451 2.126 50 0 DEAARO O=C(NCC[NH2+][C@H]1CCc2ccccc2C1)c1ccccc1O ZINC000154662716 402224820 /nfs/dbraw/zinc/22/48/20/402224820.db2.gz YZUXZMVHFSNEMB-INIZCTEOSA-N 1 0 310.397 2.269 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000069528972 402229279 /nfs/dbraw/zinc/22/92/79/402229279.db2.gz BVMFNMPYQOYFPJ-KBPBESRZSA-N 1 0 302.374 2.114 50 0 DEAARO COc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069528282 402229485 /nfs/dbraw/zinc/22/94/85/402229485.db2.gz XLBUEVPSEWMFQU-HNNXBMFYSA-N 1 0 304.369 2.481 50 0 DEAARO CNc1snc(C)c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069560319 402231225 /nfs/dbraw/zinc/23/12/25/402231225.db2.gz LLOYFPBPHHXCSR-NEPJUHHUSA-N 1 0 308.451 2.192 50 0 DEAARO Cc1nc(/C=C/C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cs1 ZINC000069571362 402231437 /nfs/dbraw/zinc/23/14/37/402231437.db2.gz YWEGCOKBCQLTAG-LFAOLKIESA-N 1 0 323.462 2.034 50 0 DEAARO Cc1nn(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c(C)c1Cl ZINC000069571432 402232515 /nfs/dbraw/zinc/23/25/15/402232515.db2.gz WLCLFKBCXVPOBR-KBPBESRZSA-N 1 0 324.856 2.239 50 0 DEAARO Cc1nn(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(C)c1Cl ZINC000069571431 402232534 /nfs/dbraw/zinc/23/25/34/402232534.db2.gz WLCLFKBCXVPOBR-UONOGXRCSA-N 1 0 324.856 2.239 50 0 DEAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccnc(-c3ccccc3)n1)CC2 ZINC000069631269 402235796 /nfs/dbraw/zinc/23/57/96/402235796.db2.gz CXENOTRNQVJEOW-MRXNPFEDSA-N 1 0 320.400 2.148 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cccn1)c1ccc(F)cc1F ZINC000069770016 402242951 /nfs/dbraw/zinc/24/29/51/402242951.db2.gz RJIDLMCCRJFXSY-CJNGLKHVSA-N 1 0 307.344 2.359 50 0 DEAARO Fc1ccc(-c2nc(C[NH2+][C@H]3CCc4ncnn4C3)co2)cc1 ZINC000069872223 402248265 /nfs/dbraw/zinc/24/82/65/402248265.db2.gz FHIAVPLOGPJVAN-ZDUSSCGKSA-N 1 0 313.336 2.177 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1F ZINC000069872895 402248511 /nfs/dbraw/zinc/24/85/11/402248511.db2.gz OFMIRLXAJLYHPL-AWEZNQCLSA-N 1 0 304.369 2.338 50 0 DEAARO COc1ccc(OCCC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000069917479 402250244 /nfs/dbraw/zinc/25/02/44/402250244.db2.gz 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O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cncc(Br)c1 ZINC000222623212 402307994 /nfs/dbraw/zinc/30/79/94/402307994.db2.gz IHJSOCJGOCQQFX-OLZOCXBDSA-N 1 0 324.222 2.201 50 0 DEAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2ccoc2)n1 ZINC000222634136 402308113 /nfs/dbraw/zinc/30/81/13/402308113.db2.gz FSZHUHKTFIYDHV-UHFFFAOYSA-N 1 0 302.378 2.057 50 0 DEAARO Nc1nc(NCc2ccc3ccccc3n2)cc(C2CC(O)C2)[nH+]1 ZINC000222775317 402308423 /nfs/dbraw/zinc/30/84/23/402308423.db2.gz SCPZVEULZHUZIK-UHFFFAOYSA-N 1 0 321.384 2.457 50 0 DEAARO O=C(CSCC[NH+]1CCCC1)NCc1nc2ccccc2o1 ZINC000223233104 402310069 /nfs/dbraw/zinc/31/00/69/402310069.db2.gz JHVLJBAQVSTJJF-UHFFFAOYSA-N 1 0 319.430 2.273 50 0 DEAARO Cc1ccc(NC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000225442853 402317925 /nfs/dbraw/zinc/31/79/25/402317925.db2.gz FOFANOWBZPNUQY-OAHLLOKOSA-N 1 0 307.413 2.489 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000229570507 402343794 /nfs/dbraw/zinc/34/37/94/402343794.db2.gz 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ZINC000244695572 402447780 /nfs/dbraw/zinc/44/77/80/402447780.db2.gz JOYGKQVEWOAABL-FQEVSTJZSA-N 1 0 324.424 2.049 50 0 DEAARO c1cnn(CCC2CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000244673750 402448219 /nfs/dbraw/zinc/44/82/19/402448219.db2.gz HUVWHMRLVWYXTK-ZWKOTPCHSA-N 1 0 302.466 2.470 50 0 DEAARO Cc1ccc(NC(=O)CC[N@H+](C)CCn2cccn2)cc1F ZINC000244691829 402448246 /nfs/dbraw/zinc/44/82/46/402448246.db2.gz JJWMFPLMCIFBNR-UHFFFAOYSA-N 1 0 304.369 2.291 50 0 DEAARO Cc1c(C(=O)N[C@H]2C[NH+]3CCC2CC3)c2cc(O)ccc2n1C ZINC000244718954 402448850 /nfs/dbraw/zinc/44/88/50/402448850.db2.gz LUCICIGYANCRJG-HNNXBMFYSA-N 1 0 313.401 2.016 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccccc2Br)C1 ZINC000178556971 402511432 /nfs/dbraw/zinc/51/14/32/402511432.db2.gz PWFLPKLYNFJPAY-QRGHLMKCSA-N 1 0 309.207 2.270 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000178522837 402507139 /nfs/dbraw/zinc/50/71/39/402507139.db2.gz RLGNXXOEQIFMLQ-JTQLQIEISA-N 1 0 304.781 2.151 50 0 DEAARO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC000247988255 402580186 /nfs/dbraw/zinc/58/01/86/402580186.db2.gz ZSJRLANZGISHGH-HIFRSBDPSA-N 1 0 323.506 2.477 50 0 DEAARO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@H]1C ZINC000248405718 402588894 /nfs/dbraw/zinc/58/88/94/402588894.db2.gz RRHZACOTQPQRMH-DVOMOZLQSA-N 1 0 314.495 2.357 50 0 DEAARO CC[N@@H+]1CCCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000249694276 402638395 /nfs/dbraw/zinc/63/83/95/402638395.db2.gz OTENXNPKOCNPFB-IRXDYDNUSA-N 1 0 317.477 2.322 50 0 DEAARO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@H]1C ZINC000252516552 402657877 /nfs/dbraw/zinc/65/78/77/402657877.db2.gz UDEBMNZVKQDFPN-UQOMUDLDSA-N 1 0 305.422 2.225 50 0 DEAARO Cc1c[nH]c(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000252481399 402654430 /nfs/dbraw/zinc/65/44/30/402654430.db2.gz CKLGWGPGCVUSFZ-UHFFFAOYSA-N 1 0 312.417 2.328 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc2c1ccn2C ZINC000252487339 402655588 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CCn1nccc1CC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000253420400 402665470 /nfs/dbraw/zinc/66/54/70/402665470.db2.gz IGKPBJLBCZGWAM-INIZCTEOSA-N 1 0 316.453 2.066 50 0 DEAARO C[C@@](O)(C[NH2+]C1CCN(Cc2ccccn2)CC1)c1ccco1 ZINC000253427161 402665953 /nfs/dbraw/zinc/66/59/53/402665953.db2.gz IBDQWRJHSAYATN-GOSISDBHSA-N 1 0 315.417 2.136 50 0 DEAARO CC[C@@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000253428761 402666331 /nfs/dbraw/zinc/66/63/31/402666331.db2.gz LPCNIDHOJRUUBB-QZTJIDSGSA-N 1 0 318.417 2.415 50 0 DEAARO Cc1nc([C@@H]2CCC[N@H+](Cc3[nH]cc(C)c(=O)c3C)C2)no1 ZINC000253537158 402668276 /nfs/dbraw/zinc/66/82/76/402668276.db2.gz ZXQUNLWTOSQYEQ-CYBMUJFWSA-N 1 0 302.378 2.475 50 0 DEAARO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCN1CCOC[C@@H]1C ZINC000192819256 402752038 /nfs/dbraw/zinc/75/20/38/402752038.db2.gz HNHNILZCPDSYKM-CVEARBPZSA-N 1 0 321.440 2.057 50 0 DEAARO c1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000195520689 402850537 /nfs/dbraw/zinc/85/05/37/402850537.db2.gz YVALBRYZWMJTPI-OAHLLOKOSA-N 1 0 312.417 2.483 50 0 DEAARO CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H]2CC=CCC2)CC1 ZINC000195547867 402850844 /nfs/dbraw/zinc/85/08/44/402850844.db2.gz KOSJNCSMKQUULN-QGZVFWFLSA-N 1 0 307.482 2.219 50 0 DEAARO COc1ccccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000275577461 403106835 /nfs/dbraw/zinc/10/68/35/403106835.db2.gz OVBYVJMHJDJBHC-WMLDXEAASA-N 1 0 301.390 2.296 50 0 DEAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1occc1Br ZINC000269192489 403124583 /nfs/dbraw/zinc/12/45/83/403124583.db2.gz RVGCGYNQUKFLJX-PSASIEDQSA-N 1 0 301.184 2.384 50 0 DEAARO Cc1ccc([C@H](CNC(=O)CCc2cn[nH]c2)[NH+](C)C)cc1 ZINC000299759333 403566463 /nfs/dbraw/zinc/56/64/63/403566463.db2.gz GGJYOCAMKPMCJQ-INIZCTEOSA-N 1 0 300.406 2.070 50 0 DEAARO CSc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000299765790 403569781 /nfs/dbraw/zinc/56/97/81/403569781.db2.gz BBDVZKDJMKMLEX-AWEZNQCLSA-N 1 0 323.462 2.377 50 0 DEAARO Cc1cc(=O)cc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000299771168 403570197 /nfs/dbraw/zinc/57/01/97/403570197.db2.gz VSWDPXHHRZYSMH-CYBMUJFWSA-N 1 0 304.390 2.085 50 0 DEAARO O=C(CCCn1cccn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000299771175 403571039 /nfs/dbraw/zinc/57/10/39/403571039.db2.gz VWKYRMKRDSQMKB-UHFFFAOYSA-N 1 0 304.438 2.140 50 0 DEAARO CCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2c[nH]cn2)c1 ZINC000299785629 403574516 /nfs/dbraw/zinc/57/45/16/403574516.db2.gz KYCBDIPQPDZYOR-UHFFFAOYSA-N 1 0 301.394 2.492 50 0 DEAARO Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CC[NH2+]C2 ZINC000299790105 403575674 /nfs/dbraw/zinc/57/56/74/403575674.db2.gz BFPJLGUHDBKJEX-SNAWJCMRSA-N 1 0 313.426 2.427 50 0 DEAARO O=C(c1cccc(-c2ncccn2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000299799979 403578708 /nfs/dbraw/zinc/57/87/08/403578708.db2.gz YCKAPFILJDHOHF-KRWDZBQOSA-N 1 0 322.412 2.454 50 0 DEAARO O=C(NCCc1cc[nH]n1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299802711 403579415 /nfs/dbraw/zinc/57/94/15/403579415.db2.gz VYHNTDNEXSMCGH-KSZLIROESA-N 1 0 324.428 2.294 50 0 DEAARO Cn1cncc1C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000368102862 405227815 /nfs/dbraw/zinc/22/78/15/405227815.db2.gz QEGFVZMACWDRNH-UHFFFAOYSA-N 1 0 310.401 2.342 50 0 DEAARO [NH3+]Cc1nnc(SC[C@@H]2CCCOC2)n1-c1ccc(F)cc1 ZINC000426477238 405362366 /nfs/dbraw/zinc/36/23/66/405362366.db2.gz PVMRDMZRWNXFGE-LLVKDONJSA-N 1 0 322.409 2.384 50 0 DEAARO Cn1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc2cccc(Cl)c21 ZINC000426479658 405362896 /nfs/dbraw/zinc/36/28/96/405362896.db2.gz GOMHSLIKWZWSFB-QWRGUYRKSA-N 1 0 309.772 2.262 50 0 DEAARO Cc1csc(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000426505786 405365135 /nfs/dbraw/zinc/36/51/35/405365135.db2.gz OJFPZBWWKQGVRS-JTQLQIEISA-N 1 0 309.464 2.339 50 0 DEAARO Cc1nnc(CNC(=O)C2([NH+]3CCCCC3)CCCCC2)o1 ZINC000426689935 405374476 /nfs/dbraw/zinc/37/44/76/405374476.db2.gz SMMNSJCRXFQELM-UHFFFAOYSA-N 1 0 306.410 2.183 50 0 DEAARO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000528642573 405695321 /nfs/dbraw/zinc/69/53/21/405695321.db2.gz ZBNIEESOBZNONK-SJORKVTESA-N 1 0 323.408 2.113 50 0 DEAARO Cc1cn2ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc2n1 ZINC000585121198 405871489 /nfs/dbraw/zinc/87/14/89/405871489.db2.gz IJUZGJQWBQIWTI-UHFFFAOYSA-N 1 0 302.422 2.493 50 0 DEAARO CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(=O)N1CCOCC1 ZINC000488411746 406318126 /nfs/dbraw/zinc/31/81/26/406318126.db2.gz KQWCDCVJIQJWRM-MELADBBJSA-N 1 0 314.495 2.134 50 0 DEAARO NC(=O)[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000133005494 196303577 /nfs/dbraw/zinc/30/35/77/196303577.db2.gz JYKASIINRRBUAP-HZPDHXFCSA-N 1 0 302.418 2.188 50 0 DEAARO Cc1cccc(N2CC[N@H+](CCOC[C@H]3CCCO3)[C@@H](C)C2)n1 ZINC000248122273 225236644 /nfs/dbraw/zinc/23/66/44/225236644.db2.gz VSIAKRANLXHSTH-DLBZAZTESA-N 1 0 319.449 2.096 50 0 DEAARO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC000296777353 226222499 /nfs/dbraw/zinc/22/24/99/226222499.db2.gz FBDDRXRUDRCAOD-CYBMUJFWSA-N 1 0 305.426 2.289 50 0 DEAARO C[NH+](C)CCCOC1CCN(C(=O)CCCC(=O)C2CC2)CC1 ZINC000408522599 227242214 /nfs/dbraw/zinc/24/22/14/227242214.db2.gz KDJWGKVJQHKYRV-UHFFFAOYSA-N 1 0 324.465 2.095 50 0 DEAARO CN(C(=O)c1cc2ccccc2nc1N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000299738805 229371471 /nfs/dbraw/zinc/37/14/71/229371471.db2.gz GSVCXGMQTXQHFV-HNNXBMFYSA-N 1 0 324.428 2.269 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000299740031 229374978 /nfs/dbraw/zinc/37/49/78/229374978.db2.gz USUBPDXBIJMQGP-MCIONIFRSA-N 1 0 302.374 2.206 50 0 DEAARO CC(C)c1noc(CCCC(=O)NC[C@@H](C)[NH+]2CCCC2)n1 ZINC000046781239 424821151 /nfs/dbraw/zinc/82/11/51/424821151.db2.gz BAYWNXXSGHAJHZ-CYBMUJFWSA-N 1 0 308.426 2.116 50 0 DEAARO CC(C)(CNC(=O)Nc1cn[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000046986716 424823356 /nfs/dbraw/zinc/82/33/56/424823356.db2.gz LVDLGDYWCCCXCR-UHFFFAOYSA-N 1 0 313.405 2.368 50 0 DEAARO CCOC(=O)C1=C(C[N@H+](C)C2CCC(CC)CC2)NC(=O)NC1 ZINC000048355379 424833148 /nfs/dbraw/zinc/83/31/48/424833148.db2.gz KUITXIBCJAIZDV-UHFFFAOYSA-N 1 0 323.437 2.017 50 0 DEAARO Cn1ccnc1COc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000048686479 424834923 /nfs/dbraw/zinc/83/49/23/424834923.db2.gz OCXZSWPPVBHZMZ-UHFFFAOYSA-N 1 0 315.417 2.392 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000049075826 424835932 /nfs/dbraw/zinc/83/59/32/424835932.db2.gz UBTGEFJQULOZIJ-RISCZKNCSA-N 1 0 324.222 2.357 50 0 DEAARO CNC(=O)COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000048782222 424835989 /nfs/dbraw/zinc/83/59/89/424835989.db2.gz PVCKFPIJDXMGOW-UHFFFAOYSA-N 1 0 320.339 2.379 50 0 DEAARO Cc1ccc[n+](CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)c1 ZINC000101618230 424847087 /nfs/dbraw/zinc/84/70/87/424847087.db2.gz NLJCUJKJIZEBOK-CABCVRRESA-N 1 0 319.812 2.190 50 0 DEAARO O[C@@H](c1ccc(F)cc1)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121296676 424853702 /nfs/dbraw/zinc/85/37/02/424853702.db2.gz ABDYLHGOQAHTOG-KBPBESRZSA-N 1 0 321.314 2.494 50 0 DEAARO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000108141139 424851067 /nfs/dbraw/zinc/85/10/67/424851067.db2.gz RPRPBFOMTATLBP-JKSUJKDBSA-N 1 0 316.426 2.113 50 0 DEAARO O=C1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CN1CC(F)(F)F ZINC000193004869 424866359 /nfs/dbraw/zinc/86/63/59/424866359.db2.gz CUBZQQDRPYLGDI-MWLCHTKSSA-N 1 0 302.296 2.410 50 0 DEAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1Cc2ccccc2C1 ZINC000095367841 275003957 /nfs/dbraw/zinc/00/39/57/275003957.db2.gz PWIDFABKIFBKHZ-QGZVFWFLSA-N 1 0 314.429 2.420 50 0 DEAARO CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063114628 277286796 /nfs/dbraw/zinc/28/67/96/277286796.db2.gz HFYAMMSKDROSFJ-CYBMUJFWSA-N 1 0 316.449 2.482 50 0 DEAARO COc1cccc(OC)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000248396944 278018399 /nfs/dbraw/zinc/01/83/99/278018399.db2.gz KVRFKKBBRWXPDT-UONOGXRCSA-N 1 0 318.417 2.260 50 0 DEAARO C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000229499435 278236406 /nfs/dbraw/zinc/23/64/06/278236406.db2.gz VXJIKDCXSBZBCN-DOTOQJQBSA-N 1 0 300.406 2.000 50 0 DEAARO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H](C)n1cccn1 ZINC000069372289 278266948 /nfs/dbraw/zinc/26/69/48/278266948.db2.gz IWNZZCCFMRGWJO-KBPBESRZSA-N 1 0 300.410 2.013 50 0 DEAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)c1 ZINC000069818389 279033864 /nfs/dbraw/zinc/03/38/64/279033864.db2.gz VCHUZGHOTGYMPS-OLZOCXBDSA-N 1 0 304.438 2.035 50 0 DEAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC(=O)N(C)C1CCCCC1 ZINC000408525688 279134014 /nfs/dbraw/zinc/13/40/14/279134014.db2.gz SMEHPGDZELFLGD-AWEZNQCLSA-N 1 0 312.454 2.332 50 0 DEAARO C[C@H](C1CCN(c2cncc(N(C)C)n2)CC1)[NH+]1CCCC1 ZINC000095358175 279243680 /nfs/dbraw/zinc/24/36/80/279243680.db2.gz JXITXKXJAKXGCO-CQSZACIVSA-N 1 0 303.454 2.243 50 0 DEAARO CC[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[NH+]1CCCC1 ZINC000053025036 280143956 /nfs/dbraw/zinc/14/39/56/280143956.db2.gz PMOCOBXBMCDJDH-JTQLQIEISA-N 1 0 318.343 2.043 50 0 DEAARO O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058356003 280153736 /nfs/dbraw/zinc/15/37/36/280153736.db2.gz YFRWPJMZGDHUFX-NVXWUHKLSA-N 1 0 300.402 2.077 50 0 DEAARO Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000228341730 301292447 /nfs/dbraw/zinc/29/24/47/301292447.db2.gz VYOILTIPZJEJAF-ZYHUDNBSSA-N 1 0 302.827 2.149 50 0 DEAARO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000097107233 302487746 /nfs/dbraw/zinc/48/77/46/302487746.db2.gz ISEWLXZARARPMP-CYBMUJFWSA-N 1 0 306.454 2.320 50 0 DEAARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)Cc1cccc(F)c1 ZINC000189128151 333064152 /nfs/dbraw/zinc/06/41/52/333064152.db2.gz QFIMJVNUVSOKMQ-ZDUSSCGKSA-N 1 0 314.426 2.120 50 0 DEAARO C[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1nc(C2CC2)no1 ZINC000534574549 334287632 /nfs/dbraw/zinc/28/76/32/334287632.db2.gz IMGUELNCGVEROV-GFCCVEGCSA-N 1 0 306.410 2.390 50 0 DEAARO Cc1ccccc1[C@@H](CNC(=O)CCn1ccnc1)[NH+](C)C ZINC000534582476 334289861 /nfs/dbraw/zinc/28/98/61/334289861.db2.gz SUGBSMJJLMNXRG-MRXNPFEDSA-N 1 0 300.406 2.001 50 0 DEAARO CCO[C@@H]1C[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C12CCC2 ZINC000249001233 520359676 /nfs/dbraw/zinc/35/96/76/520359676.db2.gz QPEUTDDGKIVOAB-INMHGKMJSA-N 1 0 302.418 2.324 50 0 DEAARO O=c1cc(C[NH2+][C@H]2CCc3ccccc3OC2)nc2ccccn12 ZINC000338312938 527479567 /nfs/dbraw/zinc/47/95/67/527479567.db2.gz FNQRPVMFHFTCMP-HNNXBMFYSA-N 1 0 321.380 2.178 50 0 DEAARO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)no1 ZINC000299754301 528276089 /nfs/dbraw/zinc/27/60/89/528276089.db2.gz FDYHQMRFRMAUIV-HUUCEWRRSA-N 1 0 322.453 2.268 50 0 DEAARO CC1CCC(O)(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)CC1 ZINC000170003199 563902691 /nfs/dbraw/zinc/90/26/91/563902691.db2.gz FUFAYAYPSLADNZ-UHFFFAOYSA-N 1 0 319.449 2.104 50 0 DEAARO C[C@H](C[NH+](C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000002472091 624107959 /nfs/dbraw/zinc/10/79/59/624107959.db2.gz QFOYKXKGORYMDS-OAHLLOKOSA-N 1 0 313.397 2.416 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2[nH]cnc21 ZINC000053810268 634498686 /nfs/dbraw/zinc/49/86/86/634498686.db2.gz VZDPKNHHIQEBFW-NSHDSACASA-N 1 0 304.369 2.306 50 0 DEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000066948712 634888939 /nfs/dbraw/zinc/88/89/39/634888939.db2.gz DPSSVDPQLXZTCD-KRWDZBQOSA-N 1 0 316.445 2.497 50 0 DEAARO CC(C)c1nc(C2(NC(=O)CC3CC[NH2+]CC3)CCCC2)no1 ZINC000888096039 635524781 /nfs/dbraw/zinc/52/47/81/635524781.db2.gz HWHQNEPNRFLNKV-UHFFFAOYSA-N 1 0 320.437 2.468 50 0 DEAARO COC[C@@H](C)N1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(OC)c1 ZINC000011787248 635772888 /nfs/dbraw/zinc/77/28/88/635772888.db2.gz XETHVPWFFYYXIG-GDBMZVCRSA-N 1 0 320.433 2.201 50 0 DEAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccccn2)C1 ZINC000011936815 635914587 /nfs/dbraw/zinc/91/45/87/635914587.db2.gz KLOOWNHZEHAOFU-QGZVFWFLSA-N 1 0 306.406 2.263 50 0 DEAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000012314662 636031948 /nfs/dbraw/zinc/03/19/48/636031948.db2.gz HSPRTTZJWBDPKP-AWEZNQCLSA-N 1 0 320.433 2.442 50 0 DEAARO CC(C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000014950969 683849327 /nfs/dbraw/zinc/84/93/27/683849327.db2.gz QMTZWPAHRFSKQC-UHFFFAOYSA-N 1 0 311.433 2.301 50 0 DEAARO OCC1CCN([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000020542297 683858878 /nfs/dbraw/zinc/85/88/78/683858878.db2.gz HBXSXTKKGHRKMA-IBGZPJMESA-N 1 0 314.473 2.323 50 0 DEAARO Cc1cc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000020452924 683859100 /nfs/dbraw/zinc/85/91/00/683859100.db2.gz ZOOVNMPJKCCCLV-HNNXBMFYSA-N 1 0 319.449 2.185 50 0 DEAARO CCC[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(C#N)nc2)C1 ZINC000067743846 683925043 /nfs/dbraw/zinc/92/50/43/683925043.db2.gz HUJIKDCETZKRIR-CQSZACIVSA-N 1 0 300.406 2.195 50 0 DEAARO C[C@H](C1CC[NH+](Cc2ccc(O)c(C(=O)[O-])c2)CC1)[NH+](C)C ZINC000077427294 683952064 /nfs/dbraw/zinc/95/20/64/683952064.db2.gz IOIVPKFGGIXKLV-GFCCVEGCSA-N 1 0 306.406 2.253 50 0 DEAARO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084868390 684007399 /nfs/dbraw/zinc/00/73/99/684007399.db2.gz OHFWTRBFIOOZOM-PCUGXKRQSA-N 1 0 315.417 2.400 50 0 DEAARO Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000113505391 684062245 /nfs/dbraw/zinc/06/22/45/684062245.db2.gz OWSQRHXBEJTNLZ-MRXNPFEDSA-N 1 0 302.418 2.425 50 0 DEAARO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000863984511 686602405 /nfs/dbraw/zinc/60/24/05/686602405.db2.gz VXTSTNLRKOOKEV-SJCJKPOMSA-N 1 0 307.413 2.075 50 0 DEAARO Cc1oc(-c2cccc(NS(=O)(=O)C(C)C)c2)nc1C[NH3+] ZINC000827469523 783674974 /nfs/dbraw/zinc/67/49/74/783674974.db2.gz BDIOLPGCMDLMOX-UHFFFAOYSA-N 1 0 309.391 2.259 50 0 DEAARO O=C(CN1CCCCC1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827831983 783693198 /nfs/dbraw/zinc/69/31/98/783693198.db2.gz SKMACOWNLSCHCS-UHFFFAOYSA-N 1 0 315.417 2.233 50 0 DEAARO CCn1nccc1C(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2C)C1 ZINC000581808438 784785864 /nfs/dbraw/zinc/78/58/64/784785864.db2.gz VEIKXAMXYATBNA-HNNXBMFYSA-N 1 0 315.421 2.269 50 0 DEAARO Cc1cnc(CCNC(=O)C[NH+]2CCCCCC2)n1C1CCC1 ZINC000581815290 784787080 /nfs/dbraw/zinc/78/70/80/784787080.db2.gz CREHZFBOVCURDJ-UHFFFAOYSA-N 1 0 318.465 2.451 50 0 DEAARO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000585083593 789681101 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COc1cc(N[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(N)n1 ZINC001529167943 1070897078 /nfs/dbraw/zinc/89/70/78/1070897078.db2.gz RXWJGZSWFRRMCD-LLVKDONJSA-N 1 0 319.434 2.205 50 0 DEAARO CCc1noc(CNc2cc(C)[nH+]c(N3CCCCC3)n2)n1 ZINC001529191006 1070910618 /nfs/dbraw/zinc/91/06/18/1070910618.db2.gz RMFIEZXUGHMVKW-UHFFFAOYSA-N 1 0 302.382 2.333 50 0 DEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1ncccc1C(F)(F)F ZINC001506397420 1061936802 /nfs/dbraw/zinc/93/68/02/1061936802.db2.gz RMQAJCIZUGVWJR-NSHDSACASA-N 1 0 303.328 2.359 50 0 DEAARO Cc1n[nH]nc1C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC001506399804 1061940075 /nfs/dbraw/zinc/94/00/75/1061940075.db2.gz QMFZRFVKJGUGRE-UHFFFAOYSA-N 1 0 319.453 2.374 50 0 DEAARO O=C1CC[C@@H]([NH2+]CCCc2ccccn2)CCN1CC1CC1 ZINC001506410799 1061953493 /nfs/dbraw/zinc/95/34/93/1061953493.db2.gz XMWZVPHXRQEGHL-QGZVFWFLSA-N 1 0 301.434 2.395 50 0 DEAARO Cc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N(C)C3)CC2)cc1Cl ZINC001506415980 1061960970 /nfs/dbraw/zinc/96/09/70/1061960970.db2.gz 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C[C@H]1CN([C@@H](C[NH2+]Cc2ncc[nH]2)c2cccs2)CCO1 ZINC000072273395 191095444 /nfs/dbraw/zinc/09/54/44/191095444.db2.gz PLBBJZPHIIPILA-STQMWFEESA-N 1 0 306.435 2.023 50 0 DEAARO NC(=O)[C@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000225637609 186285562 /nfs/dbraw/zinc/28/55/62/186285562.db2.gz ZRDZYLZCVYCTLU-NSHDSACASA-N 1 0 303.387 2.133 50 0 DEAARO Fc1ccccc1-c1cc(N2[C@@H]3CC[C@H]2C[NH2+]C3)n2nccc2n1 ZINC000072419292 191157483 /nfs/dbraw/zinc/15/74/83/191157483.db2.gz FDDDKHUUYUQIKD-BETUJISGSA-N 1 0 323.375 2.476 50 0 DEAARO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072431291 191162940 /nfs/dbraw/zinc/16/29/40/191162940.db2.gz GDRUNQYEMZKOGZ-KRWDZBQOSA-N 1 0 304.434 2.101 50 0 DEAARO c1cn(CCOc2ccccc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072423522 191158339 /nfs/dbraw/zinc/15/83/39/191158339.db2.gz MKKNNEKZPCSFQS-UHFFFAOYSA-N 1 0 323.400 2.319 50 0 DEAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 ZINC000072425497 191159848 /nfs/dbraw/zinc/15/98/48/191159848.db2.gz 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C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000078898517 355283971 /nfs/dbraw/zinc/28/39/71/355283971.db2.gz CHTZXUVZYVCDIJ-IUODEOHRSA-N 1 0 316.401 2.152 50 0 DEAARO CN1CC[NH+](C[C@@H]2CCCN(c3ncccc3Cl)C2)CC1 ZINC000088719153 355517944 /nfs/dbraw/zinc/51/79/44/355517944.db2.gz PKDCQOGLPBNZGD-AWEZNQCLSA-N 1 0 308.857 2.199 50 0 DEAARO CCC[NH+]1CCN(C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000005062864 181199071 /nfs/dbraw/zinc/19/90/71/181199071.db2.gz RRLSZRQWALVZHK-UHFFFAOYSA-N 1 0 319.405 2.423 50 0 DEAARO O=C([C@@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077426628 191714122 /nfs/dbraw/zinc/71/41/22/191714122.db2.gz HHJSUFOLJUNWMA-SFHVURJKSA-N 1 0 316.445 2.333 50 0 DEAARO O=C1CCCN1C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000097230635 355703162 /nfs/dbraw/zinc/70/31/62/355703162.db2.gz NDNDPYLPTZCMGM-NVXWUHKLSA-N 1 0 302.418 2.366 50 0 DEAARO CCO[C@H](C)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000097372878 355704376 /nfs/dbraw/zinc/70/43/76/355704376.db2.gz 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O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000043763905 183384833 /nfs/dbraw/zinc/38/48/33/183384833.db2.gz JVOUIFUIIPEWLM-KURKYZTESA-N 1 0 310.397 2.330 50 0 DEAARO C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1CCO ZINC000104425419 194007215 /nfs/dbraw/zinc/00/72/15/194007215.db2.gz JMJZSQPRCCYYHS-CQSZACIVSA-N 1 0 302.340 2.204 50 0 DEAARO CN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000106535229 194226677 /nfs/dbraw/zinc/22/66/77/194226677.db2.gz RWDHNBWOWYEVCT-SJORKVTESA-N 1 0 317.433 2.081 50 0 DEAARO CC[NH+]1CCC(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000057000499 184023832 /nfs/dbraw/zinc/02/38/32/184023832.db2.gz WCYNOEQYWCMORN-INIZCTEOSA-N 1 0 322.836 2.492 50 0 DEAARO CCOc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000057554916 184041984 /nfs/dbraw/zinc/04/19/84/184041984.db2.gz QOSFAZFKRSKVTI-SNVBAGLBSA-N 1 0 309.797 2.100 50 0 DEAARO CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000058203439 184087734 /nfs/dbraw/zinc/08/77/34/184087734.db2.gz 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C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000065403059 184337440 /nfs/dbraw/zinc/33/74/40/184337440.db2.gz YTWSOSUXZXYUNG-LBPRGKRZSA-N 1 0 302.378 2.274 50 0 DEAARO COc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)c2ccccc12 ZINC000065611149 184373064 /nfs/dbraw/zinc/37/30/64/184373064.db2.gz PGGYQKPDYYRWOJ-HNNXBMFYSA-N 1 0 300.402 2.269 50 0 DEAARO CC(C)([NH2+]CC(=O)NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000065609888 184373069 /nfs/dbraw/zinc/37/30/69/184373069.db2.gz IVEKWJYCWRPWDF-UHFFFAOYSA-N 1 0 304.390 2.299 50 0 DEAARO CON(C)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000065622582 184374807 /nfs/dbraw/zinc/37/48/07/184374807.db2.gz OEKGVYRPSMOAMA-CQSZACIVSA-N 1 0 316.323 2.461 50 0 DEAARO OC1(C[NH2+]Cc2ccc(Br)cc2)CCOCC1 ZINC000112717002 194510361 /nfs/dbraw/zinc/51/03/61/194510361.db2.gz IGJODWHXOKRBQB-UHFFFAOYSA-N 1 0 300.196 2.080 50 0 DEAARO CSc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000113990487 194626023 /nfs/dbraw/zinc/62/60/23/194626023.db2.gz ZWQIZAXKCMNBAM-UHFFFAOYSA-N 1 0 308.447 2.249 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccccc2Br)C1 ZINC000158185796 197251208 /nfs/dbraw/zinc/25/12/08/197251208.db2.gz VZHJZZAVUOQIIO-ABZNLYFFSA-N 1 0 309.207 2.412 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2occc2Br)C1 ZINC000156396937 197110290 /nfs/dbraw/zinc/11/02/90/197110290.db2.gz LXXVLOSEVCATGO-RKDXNWHRSA-N 1 0 301.184 2.242 50 0 DEAARO Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)nc21 ZINC000156356306 197106789 /nfs/dbraw/zinc/10/67/89/197106789.db2.gz JURYWYYQMVVINL-ZIAGYGMSSA-N 1 0 314.433 2.390 50 0 DEAARO CC(C)C[C@H](C[NH3+])NC(=O)c1csc(-c2ccccn2)n1 ZINC000155439621 197054818 /nfs/dbraw/zinc/05/48/18/197054818.db2.gz KSNYZOKEXGEICF-LLVKDONJSA-N 1 0 304.419 2.308 50 0 DEAARO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155237130 197035671 /nfs/dbraw/zinc/03/56/71/197035671.db2.gz XBXYIVDLEILZAI-CJNGLKHVSA-N 1 0 322.474 2.439 50 0 DEAARO CC(C)c1nc([C@@H]2CCCN2C(=O)CC2CC[NH2+]CC2)no1 ZINC000155030336 197015297 /nfs/dbraw/zinc/01/52/97/197015297.db2.gz IQTZJASNQGINRQ-ZDUSSCGKSA-N 1 0 306.410 2.246 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000237996572 257237482 /nfs/dbraw/zinc/23/74/82/257237482.db2.gz FRXGHWLPJQCINJ-IYYTYJHQSA-N 1 0 317.216 2.270 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000237423986 257238892 /nfs/dbraw/zinc/23/88/92/257238892.db2.gz ZQSUOAOIHMLEMZ-UNEWFSDZSA-N 1 0 318.417 2.196 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237415508 257239105 /nfs/dbraw/zinc/23/91/05/257239105.db2.gz FUVGGPUSVHNIFO-MLGOLLRUSA-N 1 0 311.385 2.198 50 0 DEAARO COCCOc1ncccc1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000237134443 257239576 /nfs/dbraw/zinc/23/95/76/257239576.db2.gz OHRJLNWHHCJRCS-UHFFFAOYSA-N 1 0 312.373 2.273 50 0 DEAARO C[NH2+]CCCNC(=O)c1cc(Cl)ccc1Br ZINC000121575181 195308620 /nfs/dbraw/zinc/30/86/20/195308620.db2.gz PIWSWLIEXQCYQN-UHFFFAOYSA-N 1 0 305.603 2.442 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC[C@H]1CCCO1 ZINC000685943782 542768661 /nfs/dbraw/zinc/76/86/61/542768661.db2.gz VXCWKRBGDDTTID-NCOADZHNSA-N 1 0 316.401 2.022 50 0 DEAARO Cc1noc([C@]23CCC[C@H]2C[N@H+](Cc2ccc(CO)o2)C3)n1 ZINC000685941431 542769078 /nfs/dbraw/zinc/76/90/78/542769078.db2.gz WUBJYHAKJUAMHX-LRDDRELGSA-N 1 0 303.362 2.017 50 0 DEAARO CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CO1 ZINC000563585658 292063967 /nfs/dbraw/zinc/06/39/67/292063967.db2.gz SPRXRZTVHWJRGQ-CVEARBPZSA-N 1 0 317.433 2.116 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000003040140 401720606 /nfs/dbraw/zinc/72/06/06/401720606.db2.gz NFYDMXLCCAGPNK-UHFFFAOYSA-N 1 0 300.406 2.318 50 0 DEAARO CCOCCC[NH2+]CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000006949191 401734566 /nfs/dbraw/zinc/73/45/66/401734566.db2.gz ONQWYLSQNZVYDJ-UHFFFAOYSA-N 1 0 300.786 2.303 50 0 DEAARO Cc1cc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)on1 ZINC000071859808 401688570 /nfs/dbraw/zinc/68/85/70/401688570.db2.gz MIZGYQGSMKDHKZ-AWEZNQCLSA-N 1 0 301.394 2.182 50 0 DEAARO COCC[N@@H+]1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1C ZINC000071864781 401688862 /nfs/dbraw/zinc/68/88/62/401688862.db2.gz MMZHZFBKWFIVQB-CJNGLKHVSA-N 1 0 312.841 2.026 50 0 DEAARO [NH2+]=C1c2ccccc2CN1CC(=O)c1ccc2c(c1)OCCO2 ZINC000000179475 401689121 /nfs/dbraw/zinc/68/91/21/401689121.db2.gz NOFMBRPIOJVFLF-UHFFFAOYSA-N 1 0 308.337 2.482 50 0 DEAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000071875498 401690548 /nfs/dbraw/zinc/69/05/48/401690548.db2.gz KIHGOCZMKGKMPS-MSOLQXFVSA-N 1 0 324.428 2.367 50 0 DEAARO c1ccc2c(c1)nc(N1CCOCC1)n2CC[NH+]1CCCCC1 ZINC000000339595 401694936 /nfs/dbraw/zinc/69/49/36/401694936.db2.gz GVKUFGRBTMCWCH-UHFFFAOYSA-N 1 0 314.433 2.359 50 0 DEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000071903978 401695301 /nfs/dbraw/zinc/69/53/01/401695301.db2.gz ODCRKHCJLHUHCQ-ROUUACIJSA-N 1 0 324.428 2.171 50 0 DEAARO Cc1cc(C)n(-c2cncc(NCC(C)(C)C[NH+](C)C)n2)n1 ZINC000071924474 401697911 /nfs/dbraw/zinc/69/79/11/401697911.db2.gz CEHUDWDKAAXUIR-UHFFFAOYSA-N 1 0 302.426 2.279 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000000429214 401698384 /nfs/dbraw/zinc/69/83/84/401698384.db2.gz MUXRCVZDOSKJCL-MRXNPFEDSA-N 1 0 315.417 2.028 50 0 DEAARO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111229642 401701966 /nfs/dbraw/zinc/70/19/66/401701966.db2.gz VYCUFJDLEHVTHL-JSGCOSHPSA-N 1 0 318.808 2.320 50 0 DEAARO C([C@H]1CCOC1)[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000072165654 401703714 /nfs/dbraw/zinc/70/37/14/401703714.db2.gz KPNVZASTLPCHCG-CQSZACIVSA-N 1 0 304.438 2.220 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([NH2+]CC3(O)CCCCC3)C2)nn1 ZINC000072253903 401704345 /nfs/dbraw/zinc/70/43/45/401704345.db2.gz OVGGQSNHYFJBSE-OAHLLOKOSA-N 1 0 304.438 2.039 50 0 DEAARO C[C@H]([NH2+]CC(=O)N(C)Cc1ccsc1)[C@H](C)n1cccn1 ZINC000072269767 401704734 /nfs/dbraw/zinc/70/47/34/401704734.db2.gz PUFDECPXYUAXHS-STQMWFEESA-N 1 0 306.435 2.142 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)c1 ZINC000072269930 401705070 /nfs/dbraw/zinc/70/50/70/401705070.db2.gz YFTAVNPEKKCXIB-ZIAGYGMSSA-N 1 0 320.462 2.451 50 0 DEAARO NC(=O)N1CCCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000126772534 401708056 /nfs/dbraw/zinc/70/80/56/401708056.db2.gz JQVZGOFMTHXOEL-UHFFFAOYSA-N 1 0 317.311 2.172 50 0 DEAARO COc1ccc(CC[NH2+]C[C@H](O)c2ccc(O)cc2)cc1OC ZINC000001552175 401708294 /nfs/dbraw/zinc/70/82/94/401708294.db2.gz VHSBBVZJABQOSG-INIZCTEOSA-N 1 0 317.385 2.275 50 0 in-man DEAARO Cc1nc(C)n(C[C@H]2C[N@H+](CCCc3ccccc3)CCO2)n1 ZINC000075132135 401751075 /nfs/dbraw/zinc/75/10/75/401751075.db2.gz OBTUXNCHJCBVDI-GOSISDBHSA-N 1 0 314.433 2.229 50 0 DEAARO COCC[NH+](CCOC)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008609685 401754479 /nfs/dbraw/zinc/75/44/79/401754479.db2.gz UDBLBKQSZGQRGM-UHFFFAOYSA-N 1 0 304.390 2.344 50 0 DEAARO COc1c2c(cc3c1[C@@H](Cc1cc(C)[nH]n1)[N@H+](C)CC3)OCO2 ZINC000008973477 401758176 /nfs/dbraw/zinc/75/81/76/401758176.db2.gz KIEVUGOFGKRRET-CYBMUJFWSA-N 1 0 315.373 2.227 50 0 biogenic DEAARO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000009287006 401761231 /nfs/dbraw/zinc/76/12/31/401761231.db2.gz XYMKIBDCKOGYTN-UHFFFAOYSA-N 1 0 303.753 2.371 50 0 DEAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(C)c(C)s2)CC1 ZINC000075572752 401762916 /nfs/dbraw/zinc/76/29/16/401762916.db2.gz FYCIRYOQICQFTQ-ZDUSSCGKSA-N 1 0 323.506 2.368 50 0 DEAARO Cc1cnc(CN2C[C@]3(CCC[N@@H+](C(C)C)C3)CCC2=O)cn1 ZINC000077302456 401809741 /nfs/dbraw/zinc/80/97/41/401809741.db2.gz SDXWSBJYXZBBPH-GOSISDBHSA-N 1 0 316.449 2.398 50 0 DEAARO c1ccc(C[N@@H+]2CCC[C@@H](Nc3ncnc4c3CCC4)C2)nc1 ZINC000075876986 401772219 /nfs/dbraw/zinc/77/22/19/401772219.db2.gz LQYYHTTTXSBWLW-OAHLLOKOSA-N 1 0 309.417 2.437 50 0 DEAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(CC(C)(C)C)C2=O)c1 ZINC000011956917 401778141 /nfs/dbraw/zinc/77/81/41/401778141.db2.gz LZVFYHACNQXOAM-LJQANCHMSA-N 1 0 318.461 2.484 50 0 DEAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000012036482 401778612 /nfs/dbraw/zinc/77/86/12/401778612.db2.gz MLRRRZSZJOSCFQ-AWEZNQCLSA-N 1 0 307.442 2.053 50 0 DEAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070244 401780444 /nfs/dbraw/zinc/78/04/44/401780444.db2.gz DPZXGNHMFPOOJI-CHWSQXEVSA-N 1 0 310.467 2.273 50 0 DEAARO O=c1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)occ1O ZINC000076089872 401781922 /nfs/dbraw/zinc/78/19/22/401781922.db2.gz WGSNSQMAENBEJV-GDBMZVCRSA-N 1 0 315.369 2.434 50 0 DEAARO C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014252210 401810879 /nfs/dbraw/zinc/81/08/79/401810879.db2.gz NVSJCTRWELVPHO-UHFFFAOYSA-N 1 0 323.245 2.366 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000013148893 401796932 /nfs/dbraw/zinc/79/69/32/401796932.db2.gz DZEIYOXEWBWDRQ-SJORKVTESA-N 1 0 321.461 2.489 50 0 DEAARO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)O1 ZINC000130330579 401827502 /nfs/dbraw/zinc/82/75/02/401827502.db2.gz CXUXFCNQWBXCGW-LOWDOPEQSA-N 1 0 322.371 2.333 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc[nH]c1=S)c1ccsc1 ZINC000025331885 401833078 /nfs/dbraw/zinc/83/30/78/401833078.db2.gz XHXSWPHKPMSGST-LBPRGKRZSA-N 1 0 307.444 2.465 50 0 DEAARO CC[C@H]([NH2+]CCOc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000028375337 401851649 /nfs/dbraw/zinc/85/16/49/401851649.db2.gz CCEPUQQTSPBZDA-AWEZNQCLSA-N 1 0 303.362 2.369 50 0 DEAARO CC(C)c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000030656314 401864926 /nfs/dbraw/zinc/86/49/26/401864926.db2.gz GIJJQTOVHCGVDO-UHFFFAOYSA-N 1 0 310.463 2.324 50 0 DEAARO Ic1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000014631690 401812585 /nfs/dbraw/zinc/81/25/85/401812585.db2.gz HAZKFDIMIVGGDA-NSHDSACASA-N 1 0 303.143 2.422 50 0 DEAARO Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)[nH]n1 ZINC000015062290 401815186 /nfs/dbraw/zinc/81/51/86/401815186.db2.gz SHJMPVGPSBTTPT-AWEZNQCLSA-N 1 0 316.380 2.252 50 0 DEAARO C[C@H](Cn1ccnc1-c1ccc(F)cc1F)[NH+]1CCN(C)CC1 ZINC000077422000 401815428 /nfs/dbraw/zinc/81/54/28/401815428.db2.gz PQSDCWNGSUBECH-CYBMUJFWSA-N 1 0 320.387 2.464 50 0 DEAARO CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077454587 401815890 /nfs/dbraw/zinc/81/58/90/401815890.db2.gz ORBRBCUVMJEKDF-GOSISDBHSA-N 1 0 316.449 2.400 50 0 DEAARO COc1cc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)ccc1F ZINC000077470438 401816465 /nfs/dbraw/zinc/81/64/65/401816465.db2.gz WPNVGUOMWHEWDN-GOSISDBHSA-N 1 0 322.424 2.257 50 0 DEAARO COc1cccc2ncn(CC[C@@H]3CCCC[N@@H+]3C)c(=O)c21 ZINC000032533045 401879557 /nfs/dbraw/zinc/87/95/57/401879557.db2.gz QMHGFUZZWVXUCL-ZDUSSCGKSA-N 1 0 301.390 2.280 50 0 DEAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)C3CC3)CC2)c1 ZINC000032579762 401879977 /nfs/dbraw/zinc/87/99/77/401879977.db2.gz RGKPHPUVUBRLHS-INIZCTEOSA-N 1 0 315.461 2.422 50 0 DEAARO NC(=O)[C@H]([NH2+]CCCN1CCc2ccccc21)c1ccccc1 ZINC000032771744 401882799 /nfs/dbraw/zinc/88/27/99/401882799.db2.gz GJQOYJRYMMAPRG-GOSISDBHSA-N 1 0 309.413 2.255 50 0 DEAARO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035807094 401900856 /nfs/dbraw/zinc/90/08/56/401900856.db2.gz ULEQQBDXLPQOJP-GOSISDBHSA-N 1 0 310.397 2.068 50 0 DEAARO CN(Cc1ccco1)CC1(C[N@H+](C)Cc2ccco2)COC1 ZINC000083865638 401901501 /nfs/dbraw/zinc/90/15/01/401901501.db2.gz JIBQTJORPJWHKJ-UHFFFAOYSA-N 1 0 304.390 2.453 50 0 DEAARO Cc1ccc([C@@H]([NH2+]CCN2C(=O)CNC2=O)c2ccccc2)cc1 ZINC000084148709 401903010 /nfs/dbraw/zinc/90/30/10/401903010.db2.gz CQNPVFWRTLVPIE-SFHVURJKSA-N 1 0 323.396 2.226 50 0 DEAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C)s2)ncn1 ZINC000084290639 401904600 /nfs/dbraw/zinc/90/46/00/401904600.db2.gz QROFWRQFKJGIMZ-LBPRGKRZSA-N 1 0 318.450 2.042 50 0 DEAARO O=C(C[NH2+]C1(C(=O)NCC2CC2)CCCC1)Nc1ccccc1 ZINC000085938344 401919920 /nfs/dbraw/zinc/91/99/20/401919920.db2.gz WLZOWTHDLZHOSJ-UHFFFAOYSA-N 1 0 315.417 2.054 50 0 DEAARO O=C(CCn1cccn1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000044916998 401950754 /nfs/dbraw/zinc/95/07/54/401950754.db2.gz SLVQXMVGFTUUHR-AWEZNQCLSA-N 1 0 318.446 2.288 50 0 DEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2[nH]cnc2c1 ZINC000045076651 401954531 /nfs/dbraw/zinc/95/45/31/401954531.db2.gz KDLUOTOCFAJABI-UHFFFAOYSA-N 1 0 320.396 2.351 50 0 DEAARO CN(C[C@H]1CCC[N@H+](CCn2ccnc2)C1)C(=O)OC(C)(C)C ZINC000089661715 401956356 /nfs/dbraw/zinc/95/63/56/401956356.db2.gz HLYWCOARAWPEOX-OAHLLOKOSA-N 1 0 322.453 2.462 50 0 DEAARO CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCCS2(=O)=O)s1 ZINC000089761518 401961339 /nfs/dbraw/zinc/96/13/39/401961339.db2.gz WCTXOHKZNVOKJO-LLVKDONJSA-N 1 0 302.465 2.107 50 0 DEAARO COc1ccc(CCN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000089888540 401970358 /nfs/dbraw/zinc/97/03/58/401970358.db2.gz MKBIIAGOBMBNHS-OALUTQOASA-N 1 0 318.461 2.159 50 0 DEAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)o1 ZINC000090395669 401982176 /nfs/dbraw/zinc/98/21/76/401982176.db2.gz OZFRWXUHTNHFKC-NWDGAFQWSA-N 1 0 304.394 2.246 50 0 DEAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000090882897 401988099 /nfs/dbraw/zinc/98/80/99/401988099.db2.gz CTGQCLMLPGICCM-CYBMUJFWSA-N 1 0 311.447 2.479 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(s1)CCC2 ZINC000048251919 401996727 /nfs/dbraw/zinc/99/67/27/401996727.db2.gz WLJQMSGYDOSZHV-UHFFFAOYSA-N 1 0 308.447 2.079 50 0 DEAARO O=C(CCC[NH+]1CCCCC1)NCc1ccc2nonc2c1 ZINC000095361395 402027500 /nfs/dbraw/zinc/02/75/00/402027500.db2.gz PTEWFXYRYQVKMH-UHFFFAOYSA-N 1 0 302.378 2.105 50 0 DEAARO O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095361234 402027675 /nfs/dbraw/zinc/02/76/75/402027675.db2.gz KHLSADQUPOVURM-MRXNPFEDSA-N 1 0 313.401 2.246 50 0 DEAARO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC(=O)Nc2ccccc21 ZINC000095359475 402027786 /nfs/dbraw/zinc/02/77/86/402027786.db2.gz MUWSVSRKYAWPLZ-MRXNPFEDSA-N 1 0 315.417 2.452 50 0 DEAARO CSc1ncc(CNC(=O)CCC[NH+]2CCCCC2)n1C ZINC000095363018 402028658 /nfs/dbraw/zinc/02/86/58/402028658.db2.gz DATKBRGZFCAADI-UHFFFAOYSA-N 1 0 310.467 2.024 50 0 DEAARO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095366555 402028725 /nfs/dbraw/zinc/02/87/25/402028725.db2.gz XJBFQIYLWCZSGC-DLBZAZTESA-N 1 0 302.418 2.146 50 0 DEAARO CCCCSc1nc(NCCC(=O)N2CCCC2)cc(N)[nH+]1 ZINC000095370012 402029069 /nfs/dbraw/zinc/02/90/69/402029069.db2.gz JJAQVRQJIVQYPK-UHFFFAOYSA-N 1 0 323.466 2.375 50 0 DEAARO O=C(NCCc1c[nH]cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095383564 402031241 /nfs/dbraw/zinc/03/12/41/402031241.db2.gz RSBSGPCRSVOTGD-UHFFFAOYSA-N 1 0 304.438 2.113 50 0 DEAARO C[N@H+](C[C@H]1CCOc2ccccc2C1)CC1(CO)CCOCC1 ZINC000095504059 402033605 /nfs/dbraw/zinc/03/36/05/402033605.db2.gz RFOBDCUJAMKNCO-INIZCTEOSA-N 1 0 319.445 2.349 50 0 DEAARO COc1ccc2c(c1)C[C@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000095973575 402039714 /nfs/dbraw/zinc/03/97/14/402039714.db2.gz ZIODFZMKTBWMGZ-AEFFLSMTSA-N 1 0 305.418 2.338 50 0 DEAARO OC[C@@]1([NH2+]C[C@@H](O)c2ccccc2F)CCc2ccccc21 ZINC000095980397 402041628 /nfs/dbraw/zinc/04/16/28/402041628.db2.gz RJXKXSNGHTXWMQ-MSOLQXFVSA-N 1 0 301.361 2.283 50 0 DEAARO CNC(=O)NC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000095984430 402041999 /nfs/dbraw/zinc/04/19/99/402041999.db2.gz SULHVZOFTQHCQK-LURJTMIESA-N 1 0 322.167 2.239 50 0 DEAARO CCOc1cccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000095984565 402042612 /nfs/dbraw/zinc/04/26/12/402042612.db2.gz FKLIRHXAEBLLSP-ZNMIVQPWSA-N 1 0 320.433 2.372 50 0 DEAARO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000095988210 402043430 /nfs/dbraw/zinc/04/34/30/402043430.db2.gz JFKNJCLWXUNKFM-CABCVRRESA-N 1 0 312.454 2.299 50 0 DEAARO Cc1nn2c(nc(C[N@@H+]([C@H](C)C3CC3)C3CC3)cc2=O)s1 ZINC000052607048 402044218 /nfs/dbraw/zinc/04/42/18/402044218.db2.gz CLYYQDNWUHNDPD-SECBINFHSA-N 1 0 304.419 2.222 50 0 DEAARO CCOC(=O)c1cnn([C@@H]2CCC[N@H+](Cc3cccn3C)C2)c1 ZINC000095999627 402045432 /nfs/dbraw/zinc/04/54/32/402045432.db2.gz PGOWBWJOLJAQTD-MRXNPFEDSA-N 1 0 316.405 2.235 50 0 DEAARO C[C@H](CO)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096010119 402046790 /nfs/dbraw/zinc/04/67/90/402046790.db2.gz DXJGDNQWFPZVNI-VIFPVBQESA-N 1 0 315.204 2.292 50 0 DEAARO Cn1cc([C@H](O)C[NH2+]Cc2cn(C)nc2C2CCCCC2)cn1 ZINC000096010154 402046966 /nfs/dbraw/zinc/04/69/66/402046966.db2.gz FHEPCMLSMDHOIH-MRXNPFEDSA-N 1 0 317.437 2.025 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)NC3CC3)c(C)c2)CC1 ZINC000053919484 402060761 /nfs/dbraw/zinc/06/07/61/402060761.db2.gz ZFJPQUBTCMKMAB-UHFFFAOYSA-N 1 0 302.422 2.421 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000053202043 402052363 /nfs/dbraw/zinc/05/23/63/402052363.db2.gz HSUSSALJPYIDRQ-CYBMUJFWSA-N 1 0 311.223 2.202 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000053202973 402052678 /nfs/dbraw/zinc/05/26/78/402052678.db2.gz RNGCVYQBFBRAKW-NSHDSACASA-N 1 0 322.352 2.078 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@@H](O)Cc1ccccc1 ZINC000055119008 402075986 /nfs/dbraw/zinc/07/59/86/402075986.db2.gz DYWTWYRSMHNPDG-SFHVURJKSA-N 1 0 318.461 2.362 50 0 DEAARO Cc1ccc(OCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC000055414861 402081566 /nfs/dbraw/zinc/08/15/66/402081566.db2.gz KOFVKQQQGZYTKC-MRXNPFEDSA-N 1 0 304.434 2.482 50 0 DEAARO CC(C)=CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000096432172 402085725 /nfs/dbraw/zinc/08/57/25/402085725.db2.gz PIZHCNWEVWVAHD-UHFFFAOYSA-N 1 0 317.433 2.218 50 0 DEAARO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCC2(CC1)OCCO2 ZINC000096446846 402089438 /nfs/dbraw/zinc/08/94/38/402089438.db2.gz MPZFGRQFTITSRP-MRXNPFEDSA-N 1 0 324.465 2.299 50 0 DEAARO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccc(F)c(F)c1 ZINC000096490729 402095800 /nfs/dbraw/zinc/09/58/00/402095800.db2.gz AWICQVLUKDBGFH-LLVKDONJSA-N 1 0 305.328 2.327 50 0 DEAARO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCCc1cc(F)cc(F)c1 ZINC000096491756 402095961 /nfs/dbraw/zinc/09/59/61/402095961.db2.gz IESAKJYTCBADTM-HUUCEWRRSA-N 1 0 317.401 2.453 50 0 DEAARO Cc1nc2ccccn2c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000097294922 402121233 /nfs/dbraw/zinc/12/12/33/402121233.db2.gz QZIXRTQXPJCZKT-UHFFFAOYSA-N 1 0 322.416 2.145 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000096494290 402096401 /nfs/dbraw/zinc/09/64/01/402096401.db2.gz CRSMPGOCMQGSJD-OAHLLOKOSA-N 1 0 304.390 2.201 50 0 DEAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc[nH]n1 ZINC000058331625 402099420 /nfs/dbraw/zinc/09/94/20/402099420.db2.gz YSQKFMAZQSMAER-UHFFFAOYSA-N 1 0 306.797 2.267 50 0 DEAARO COc1ccc(-c2nnc(CNC[C@H](C(C)C)[NH+](C)C)o2)cc1 ZINC000058342010 402100435 /nfs/dbraw/zinc/10/04/35/402100435.db2.gz HDKXXJMQCNEGLV-OAHLLOKOSA-N 1 0 318.421 2.421 50 0 DEAARO C[NH+](C)CC1CCC(NC(=O)NCC[C@H]2CCCCO2)CC1 ZINC000097055251 402103667 /nfs/dbraw/zinc/10/36/67/402103667.db2.gz HPVGFMQEABGVIW-UYSNPLJNSA-N 1 0 311.470 2.365 50 0 DEAARO CC(C)C[C@H]([NH2+][C@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097084736 402105596 /nfs/dbraw/zinc/10/55/96/402105596.db2.gz PUWFEZIYYCKXGI-QWRGUYRKSA-N 1 0 322.438 2.427 50 0 DEAARO C[C@H]([NH2+]CC(=O)NCc1ccco1)[C@@H]1COc2ccccc21 ZINC000097112600 402108749 /nfs/dbraw/zinc/10/87/49/402108749.db2.gz ATXZLFKWHZBQMZ-WFASDCNBSA-N 1 0 300.358 2.050 50 0 DEAARO CNC(=O)c1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000097159165 402112169 /nfs/dbraw/zinc/11/21/69/402112169.db2.gz XXWXTKQJQFNPBS-UHFFFAOYSA-N 1 0 300.406 2.357 50 0 DEAARO O[C@H](COCc1ccccc1)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097200411 402115967 /nfs/dbraw/zinc/11/59/67/402115967.db2.gz XUQTZCQOCSNYJR-SFHVURJKSA-N 1 0 315.417 2.167 50 0 DEAARO Cc1ccsc1CCNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000063869185 402116577 /nfs/dbraw/zinc/11/65/77/402116577.db2.gz SMUHTYRWUQNYGN-UHFFFAOYSA-N 1 0 302.447 2.498 50 0 DEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000063845105 402116698 /nfs/dbraw/zinc/11/66/98/402116698.db2.gz VNJDYUINUSZEDM-LLVKDONJSA-N 1 0 310.781 2.453 50 0 DEAARO Cc1nc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)sc1C ZINC000097234398 402119177 /nfs/dbraw/zinc/11/91/77/402119177.db2.gz MNFRNGDZSULPHI-KBPBESRZSA-N 1 0 322.478 2.386 50 0 DEAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](C[C@H]2CCOC2)CC3)c1 ZINC000096162049 402064350 /nfs/dbraw/zinc/06/43/50/402064350.db2.gz AKETVTAQCDXNSH-CYBMUJFWSA-N 1 0 313.401 2.480 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cn[nH]c1 ZINC000065423956 402124963 /nfs/dbraw/zinc/12/49/63/402124963.db2.gz IJPVBVXWMRTZLK-LBPRGKRZSA-N 1 0 305.407 2.430 50 0 DEAARO O=C(CCc1ccncc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097463632 402125414 /nfs/dbraw/zinc/12/54/14/402125414.db2.gz YXWHBKQVYJELKR-UHFFFAOYSA-N 1 0 319.474 2.054 50 0 DEAARO Cc1cccc([C@@H](NC(=O)NCC[NH+](C)C)C(F)(F)F)c1 ZINC000153103876 402127090 /nfs/dbraw/zinc/12/70/90/402127090.db2.gz WPYMOOAHGBUQSK-GFCCVEGCSA-N 1 0 303.328 2.459 50 0 DEAARO CC(C)Cc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000097636565 402129435 /nfs/dbraw/zinc/12/94/35/402129435.db2.gz ZABLMEAXAZJECS-HNNXBMFYSA-N 1 0 307.507 2.426 50 0 DEAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000097694925 402130681 /nfs/dbraw/zinc/13/06/81/402130681.db2.gz ZPKFZKOAXHOQEJ-ROUUACIJSA-N 1 0 318.380 2.227 50 0 DEAARO Cc1nc(C2CC2)ncc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000097773152 402132705 /nfs/dbraw/zinc/13/27/05/402132705.db2.gz UMMASZMSHOQDFV-UHFFFAOYSA-N 1 0 323.400 2.020 50 0 DEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC000098211939 402139255 /nfs/dbraw/zinc/13/92/55/402139255.db2.gz VBXGZHSAXGYWRM-UHFFFAOYSA-N 1 0 314.389 2.081 50 0 DEAARO C[C@@H]1CCCCN1CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066972602 402148402 /nfs/dbraw/zinc/14/84/02/402148402.db2.gz PLJIIYWLPPXIRH-QGZVFWFLSA-N 1 0 317.477 2.487 50 0 DEAARO Cc1ccc2[nH]c(C[NH2+]CCSc3nc[nH]n3)nc2c1C ZINC000067954986 402180535 /nfs/dbraw/zinc/18/05/35/402180535.db2.gz NFCSFRYJIDHCSX-UHFFFAOYSA-N 1 0 302.407 2.180 50 0 DEAARO C[C@@H](Cn1ccnc1)[NH2+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000067954588 402180585 /nfs/dbraw/zinc/18/05/85/402180585.db2.gz IAKHOSKQVPIUHX-HNNXBMFYSA-N 1 0 314.433 2.231 50 0 DEAARO Cc1ccccc1-c1cccc(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000067973796 402181208 /nfs/dbraw/zinc/18/12/08/402181208.db2.gz KGGJTOPDOWBGOH-QGZVFWFLSA-N 1 0 310.397 2.462 50 0 DEAARO CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000103980519 402195914 /nfs/dbraw/zinc/19/59/14/402195914.db2.gz PVCDTUDWWYONGC-CHWSQXEVSA-N 1 0 324.446 2.028 50 0 DEAARO O[C@H](COc1ccccc1Cl)CN1CCOC2(CCC2)C1 ZINC000154264917 402202090 /nfs/dbraw/zinc/20/20/90/402202090.db2.gz HGYSITBGYHUKLL-ZDUSSCGKSA-N 1 0 311.809 2.335 50 0 DEAARO Cc1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000067514624 402162060 /nfs/dbraw/zinc/16/20/60/402162060.db2.gz XUHQDVFMXVSCEZ-UHFFFAOYSA-N 1 0 316.449 2.432 50 0 DEAARO COCc1ncc(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)cn1 ZINC000067539844 402162095 /nfs/dbraw/zinc/16/20/95/402162095.db2.gz RKWWYDJWLDQSDB-SFHVURJKSA-N 1 0 313.401 2.025 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cccc3)ccc2O)C1 ZINC000067541449 402162713 /nfs/dbraw/zinc/16/27/13/402162713.db2.gz FJNATCKQHHRSOZ-AWEZNQCLSA-N 1 0 313.401 2.255 50 0 DEAARO CCNc1nc(NCCNC(=O)c2ccc(F)cc2)cc(C)[nH+]1 ZINC000067602129 402164570 /nfs/dbraw/zinc/16/45/70/402164570.db2.gz ASLYSCLCULEPOF-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067675172 402166979 /nfs/dbraw/zinc/16/69/79/402166979.db2.gz XUMQXTZNGHXTII-LLVKDONJSA-N 1 0 304.369 2.172 50 0 DEAARO Cc1cc(C(=O)NCC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1O ZINC000067673760 402167175 /nfs/dbraw/zinc/16/71/75/402167175.db2.gz PNBJDLADJZOOMJ-INIZCTEOSA-N 1 0 320.433 2.177 50 0 DEAARO O=C(NCc1cccnc1)[C@H]1[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC000102617691 402168569 /nfs/dbraw/zinc/16/85/69/402168569.db2.gz HXRNNPUGGPGAIV-SOGVPGBCSA-N 1 0 323.440 2.088 50 0 DEAARO CSc1ccc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000124236304 402170954 /nfs/dbraw/zinc/17/09/54/402170954.db2.gz SXOYWSYKXWHXMN-NSHDSACASA-N 1 0 302.465 2.060 50 0 DEAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000067821044 402173607 /nfs/dbraw/zinc/17/36/07/402173607.db2.gz ADKRCKGXVNBMCL-HNNXBMFYSA-N 1 0 310.463 2.065 50 0 DEAARO c1coc(-c2noc(CN3CCC[C@@H]([NH+]4CCCC4)C3)n2)c1 ZINC000069150412 402214832 /nfs/dbraw/zinc/21/48/32/402214832.db2.gz NVTCIQNRRORLCF-CYBMUJFWSA-N 1 0 302.378 2.390 50 0 DEAARO O[C@@H](COCc1ccco1)C[N@@H+]1CCOc2ccccc2C1 ZINC000069323153 402218405 /nfs/dbraw/zinc/21/84/05/402218405.db2.gz SMKVLASOWMGRJJ-OAHLLOKOSA-N 1 0 303.358 2.052 50 0 DEAARO CN1CCO[C@H](C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000069349463 402218894 /nfs/dbraw/zinc/21/88/94/402218894.db2.gz MSZPNONKZSUUMN-OAHLLOKOSA-N 1 0 308.809 2.036 50 0 DEAARO CCCCCC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000069369132 402220612 /nfs/dbraw/zinc/22/06/12/402220612.db2.gz QHIJLOUMEPDHBV-UHFFFAOYSA-N 1 0 319.449 2.175 50 0 DEAARO C[NH+](C)[C@@H](CNc1cncc(-n2cccn2)n1)c1cccs1 ZINC000069488059 402225651 /nfs/dbraw/zinc/22/56/51/402225651.db2.gz OOQIUWBYQWIGMJ-LBPRGKRZSA-N 1 0 314.418 2.439 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000069510940 402227593 /nfs/dbraw/zinc/22/75/93/402227593.db2.gz YVHSYGPQHUVDTN-CABCVRRESA-N 1 0 316.401 2.157 50 0 DEAARO O=C(COCc1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069531548 402229882 /nfs/dbraw/zinc/22/98/82/402229882.db2.gz UTKJHJDXYPRNJW-ZDUSSCGKSA-N 1 0 322.836 2.457 50 0 DEAARO Cc1nc(/C=C/C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cs1 ZINC000069571363 402232337 /nfs/dbraw/zinc/23/23/37/402232337.db2.gz YWEGCOKBCQLTAG-LQYUOIDQSA-N 1 0 323.462 2.034 50 0 DEAARO C[C@H]([C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1)n1cccn1 ZINC000069629499 402235874 /nfs/dbraw/zinc/23/58/74/402235874.db2.gz FNCIOKIICZUBDG-VBQJREDUSA-N 1 0 312.417 2.442 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000069652275 402236673 /nfs/dbraw/zinc/23/66/73/402236673.db2.gz BCUBDJJORIZVKR-OAHLLOKOSA-N 1 0 322.416 2.131 50 0 DEAARO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000069705896 402240054 /nfs/dbraw/zinc/24/00/54/402240054.db2.gz CGFNHDFTCVICJA-AEFFLSMTSA-N 1 0 302.418 2.019 50 0 DEAARO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000069703857 402240142 /nfs/dbraw/zinc/24/01/42/402240142.db2.gz CUTJOPGWDGFQAH-IAGOWNOFSA-N 1 0 315.417 2.305 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000069810376 402244818 /nfs/dbraw/zinc/24/48/18/402244818.db2.gz UROMSLGJOVMDFK-STQMWFEESA-N 1 0 322.371 2.431 50 0 DEAARO Cc1nc(CN2CCC[C@H]([NH2+]CCOc3ccccc3)C2)no1 ZINC000069819940 402246329 /nfs/dbraw/zinc/24/63/29/402246329.db2.gz AGAJLHBTHMNKKU-HNNXBMFYSA-N 1 0 316.405 2.011 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1F ZINC000069843231 402246923 /nfs/dbraw/zinc/24/69/23/402246923.db2.gz OKHJMLGXRAAVNG-LRDDRELGSA-N 1 0 322.359 2.002 50 0 DEAARO CC(C)c1cc(NC(=O)C[NH2+][C@@H](C)[C@H](C)n2cccn2)on1 ZINC000069902077 402250542 /nfs/dbraw/zinc/25/05/42/402250542.db2.gz XDTQBTLFEMXNIP-RYUDHWBXSA-N 1 0 305.382 2.172 50 0 DEAARO C[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCSC1 ZINC000108363529 402251604 /nfs/dbraw/zinc/25/16/04/402251604.db2.gz JRMSGXNSHUCWAL-STQMWFEESA-N 1 0 306.431 2.345 50 0 DEAARO CC[C@H]1CN(CCc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000069950669 402252274 /nfs/dbraw/zinc/25/22/74/402252274.db2.gz VRWFJEKIIQTJPW-KRWDZBQOSA-N 1 0 306.450 2.280 50 0 DEAARO C[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000069950957 402252296 /nfs/dbraw/zinc/25/22/96/402252296.db2.gz SNXXBQYMCFMNMR-ZDUSSCGKSA-N 1 0 319.836 2.387 50 0 DEAARO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1F ZINC000071186406 402270825 /nfs/dbraw/zinc/27/08/25/402270825.db2.gz OYJRACXAYWURCD-HNNXBMFYSA-N 1 0 308.397 2.317 50 0 DEAARO COc1cccnc1C(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC000071575194 402275457 /nfs/dbraw/zinc/27/54/57/402275457.db2.gz BBOBMRLCLKAUPU-UHFFFAOYSA-N 1 0 305.422 2.188 50 0 DEAARO CC[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1cccc(O)c1 ZINC000215158753 402280494 /nfs/dbraw/zinc/28/04/94/402280494.db2.gz UUVFBJJYBYAYPD-QGZVFWFLSA-N 1 0 314.385 2.047 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c2c(OC)cccc12 ZINC000215019970 402280815 /nfs/dbraw/zinc/28/08/15/402280815.db2.gz MGTBOMUGESUTFX-CQSZACIVSA-N 1 0 314.385 2.307 50 0 DEAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000071819574 402281604 /nfs/dbraw/zinc/28/16/04/402281604.db2.gz GJQUTLCXZJHIHQ-GOSISDBHSA-N 1 0 314.433 2.190 50 0 DEAARO CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000071818514 402281627 /nfs/dbraw/zinc/28/16/27/402281627.db2.gz KHJNSMPXXILXNS-AWEZNQCLSA-N 1 0 315.417 2.055 50 0 DEAARO CN(C)C[C@@]1(CO)CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000215464603 402283319 /nfs/dbraw/zinc/28/33/19/402283319.db2.gz ALUXNMJNXOUDFM-SFHVURJKSA-N 1 0 301.434 2.304 50 0 DEAARO COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(C)C2)c1 ZINC000071825266 402283451 /nfs/dbraw/zinc/28/34/51/402283451.db2.gz JJYNMECYIZQSAY-HNNXBMFYSA-N 1 0 300.406 2.269 50 0 DEAARO CCc1ccc(CN(CCOC)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000215603204 402284187 /nfs/dbraw/zinc/28/41/87/402284187.db2.gz PPLRLRCJNXUUNE-DLBZAZTESA-N 1 0 304.434 2.351 50 0 DEAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000071828227 402284453 /nfs/dbraw/zinc/28/44/53/402284453.db2.gz LFAUCQJXQJTMCZ-HNNXBMFYSA-N 1 0 300.406 2.269 50 0 DEAARO Cc1cc(=O)cc(C(=O)NCCCC[NH+]2CCCCCC2)o1 ZINC000215865223 402285247 /nfs/dbraw/zinc/28/52/47/402285247.db2.gz MNSUCHHLYAKEBV-UHFFFAOYSA-N 1 0 306.406 2.334 50 0 DEAARO CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)cn1 ZINC000216084087 402287164 /nfs/dbraw/zinc/28/71/64/402287164.db2.gz XPXYMTVWXPFVBI-INIZCTEOSA-N 1 0 314.437 2.184 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1 ZINC000071846752 402287748 /nfs/dbraw/zinc/28/77/48/402287748.db2.gz GWJJRESPAQNXDI-ZIAGYGMSSA-N 1 0 309.797 2.325 50 0 DEAARO O=C(Cn1cccc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000216411674 402288609 /nfs/dbraw/zinc/28/86/09/402288609.db2.gz DATDFDSNNLHVJR-UHFFFAOYSA-N 1 0 311.429 2.311 50 0 DEAARO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000071857267 402288787 /nfs/dbraw/zinc/28/87/87/402288787.db2.gz KVVQZTIOXKUQKN-INIZCTEOSA-N 1 0 304.438 2.310 50 0 DEAARO Cc1cc(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)on1 ZINC000219919854 402300194 /nfs/dbraw/zinc/30/01/94/402300194.db2.gz GLSBUDYOISHFFB-INIZCTEOSA-N 1 0 313.401 2.041 50 0 DEAARO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000225448692 402317735 /nfs/dbraw/zinc/31/77/35/402317735.db2.gz XJNMXLDJTQEUGS-CJNGLKHVSA-N 1 0 320.481 2.158 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cncn1C ZINC000225474600 402318368 /nfs/dbraw/zinc/31/83/68/402318368.db2.gz JKJLUWWSYZGVRR-OAHLLOKOSA-N 1 0 312.417 2.157 50 0 DEAARO c1cncc(-c2noc([C@@H]3COCCN3C3CCCC3)n2)c1 ZINC000225507309 402319530 /nfs/dbraw/zinc/31/95/30/402319530.db2.gz ZPLLXXDLEFOGRR-AWEZNQCLSA-N 1 0 300.362 2.448 50 0 DEAARO CC[C@H]1CN(C[C@@H](O)c2ccc(C)c(C)c2)CC[N@@H+]1CCOC ZINC000229387661 402342982 /nfs/dbraw/zinc/34/29/82/402342982.db2.gz SUSXZTHZFYUHNP-RBUKOAKNSA-N 1 0 320.477 2.379 50 0 DEAARO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229571484 402343906 /nfs/dbraw/zinc/34/39/06/402343906.db2.gz YPLQOZKVKJJGQP-JHJVBQTASA-N 1 0 303.406 2.090 50 0 DEAARO COc1cccc(CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000229712833 402344515 /nfs/dbraw/zinc/34/45/15/402344515.db2.gz OSENMDXPILMFOP-HUUCEWRRSA-N 1 0 304.434 2.474 50 0 DEAARO CCCCn1nc(C)c(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)c1Cl ZINC000236733424 402378873 /nfs/dbraw/zinc/37/88/73/402378873.db2.gz MWJCVPHHQCKISS-BTDICHCPSA-N 1 0 310.829 2.218 50 0 DEAARO O=C(CC[N@H+]1CCC[C@H](O)C1)Nc1ccc(F)c(Cl)c1 ZINC000244899284 402450744 /nfs/dbraw/zinc/45/07/44/402450744.db2.gz ZGRJCALPNDUSCA-NSHDSACASA-N 1 0 300.761 2.264 50 0 DEAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000237921145 402425933 /nfs/dbraw/zinc/42/59/33/402425933.db2.gz GYCJBECZHNPYHZ-AGIUHOORSA-N 1 0 309.207 2.112 50 0 DEAARO OCC[C@@H]1CCCC[N@@H+]1CCN1CCN(c2ccccc2)CC1 ZINC000243932650 402447080 /nfs/dbraw/zinc/44/70/80/402447080.db2.gz BXIKHGCFQGLNBA-IBGZPJMESA-N 1 0 317.477 2.046 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000178580078 402513671 /nfs/dbraw/zinc/51/36/71/402513671.db2.gz ZNSAZLMMSFFLCG-ZDUSSCGKSA-N 1 0 322.836 2.195 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000178579461 402513842 /nfs/dbraw/zinc/51/38/42/402513842.db2.gz XSBRWEZOEVDRBZ-MRVPVSSYSA-N 1 0 301.159 2.009 50 0 DEAARO CNC(=O)CN1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000170070048 402503037 /nfs/dbraw/zinc/50/30/37/402503037.db2.gz XPAOISUIXYHXSE-LIRRHRJNSA-N 1 0 315.461 2.028 50 0 DEAARO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc2n[nH]nc21 ZINC000187587029 402505569 /nfs/dbraw/zinc/50/55/69/402505569.db2.gz USSUSAMXMJRFTD-UHFFFAOYSA-N 1 0 315.421 2.294 50 0 DEAARO C[C@@H](C[NH+]1CCN(Cc2nccn2C)CC1)c1ccc(F)cc1 ZINC000170603011 402506460 /nfs/dbraw/zinc/50/64/60/402506460.db2.gz VAGORBQNOMYVMK-HNNXBMFYSA-N 1 0 316.424 2.481 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000246901434 402548844 /nfs/dbraw/zinc/54/88/44/402548844.db2.gz JRPYAEUXZJXMQC-LEWSCRJBSA-N 1 0 323.234 2.360 50 0 DEAARO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000247985313 402579439 /nfs/dbraw/zinc/57/94/39/402579439.db2.gz KLCKUMOFHHKUHW-HIFRSBDPSA-N 1 0 318.417 2.462 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000248095622 402582085 /nfs/dbraw/zinc/58/20/85/402582085.db2.gz CVHBREBOXANRNP-HZPDHXFCSA-N 1 0 313.401 2.456 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000248111814 402582748 /nfs/dbraw/zinc/58/27/48/402582748.db2.gz HJPZSLYYOLMWRU-BFYDXBDKSA-N 1 0 300.402 2.075 50 0 DEAARO Cn1cc([C@H]2CSCCN2Cc2ccc(CO)cc2)cn1 ZINC000191208817 402651018 /nfs/dbraw/zinc/65/10/18/402651018.db2.gz YOLSLVFLFAWYJJ-MRXNPFEDSA-N 1 0 303.431 2.203 50 0 DEAARO Fc1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000252490429 402655650 /nfs/dbraw/zinc/65/56/50/402655650.db2.gz KTEREVCUZNSXME-MAUKXSAKSA-N 1 0 303.425 2.432 50 0 DEAARO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000252500613 402656746 /nfs/dbraw/zinc/65/67/46/402656746.db2.gz SZEAFGODZOWXHM-HNNXBMFYSA-N 1 0 310.463 2.017 50 0 DEAARO O[C@@H](C[N@@H+]1CCCC[C@H]1Cn1cncn1)c1ccc(F)cc1F ZINC000257365784 402712732 /nfs/dbraw/zinc/71/27/32/402712732.db2.gz MPVKSTNTUNHMKM-BBRMVZONSA-N 1 0 322.359 2.144 50 0 DEAARO c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](CC4OCCO4)C3)n2)cc1 ZINC000253420119 402665509 /nfs/dbraw/zinc/66/55/09/402665509.db2.gz FVKUPLATDBRQAF-CQSZACIVSA-N 1 0 314.389 2.024 50 0 DEAARO CC1=CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000253428248 402666557 /nfs/dbraw/zinc/66/65/57/402666557.db2.gz PUUUJDYHAWGZRS-DLBZAZTESA-N 1 0 321.465 2.116 50 0 DEAARO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257188422 402701017 /nfs/dbraw/zinc/70/10/17/402701017.db2.gz FJGHVPVUORBSCQ-SJLPKXTDSA-N 1 0 312.417 2.393 50 0 DEAARO Cc1noc([C@H]2CC3(CN2C)CCN(C(=O)C2CCC2)CC3)n1 ZINC000257184833 402701313 /nfs/dbraw/zinc/70/13/13/402701313.db2.gz VJCACGKEEYZDOF-CQSZACIVSA-N 1 0 318.421 2.164 50 0 DEAARO Cn1cc(C(=O)N2CCCn3ccnc3[C@@H]2C2CCCC2)cn1 ZINC000257191474 402701851 /nfs/dbraw/zinc/70/18/51/402701851.db2.gz QJOSRGNOBUWCSH-HNNXBMFYSA-N 1 0 313.405 2.394 50 0 DEAARO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194354732 402793541 /nfs/dbraw/zinc/79/35/41/402793541.db2.gz RLQBREKRQWANLM-TXEJJXNPSA-N 1 0 307.825 2.405 50 0 DEAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000269213390 403124440 /nfs/dbraw/zinc/12/44/40/403124440.db2.gz ITOHGRODYAARSN-BRWVUGGUSA-N 1 0 316.445 2.468 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000269622426 403150831 /nfs/dbraw/zinc/15/08/31/403150831.db2.gz ISEPXJONRSCNHU-NWDGAFQWSA-N 1 0 316.854 2.396 50 0 DEAARO CNc1ccccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000293731413 403550652 /nfs/dbraw/zinc/55/06/52/403550652.db2.gz NJBSUBYBPIJKIL-UHFFFAOYSA-N 1 0 319.449 2.301 50 0 DEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc2scnc2c1 ZINC000299791756 403576726 /nfs/dbraw/zinc/57/67/26/403576726.db2.gz HUQCZRCDBJZHJD-KBPBESRZSA-N 1 0 319.430 2.134 50 0 DEAARO Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000299793221 403577212 /nfs/dbraw/zinc/57/72/12/403577212.db2.gz HOEYDRWDYCIVPL-OAHLLOKOSA-N 1 0 306.454 2.005 50 0 DEAARO CO[C@]12CC[N@H+](CCc3ncc[nH]3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299801580 403579440 /nfs/dbraw/zinc/57/94/40/403579440.db2.gz YYGKATAVKUMZCJ-SOLBZPMBSA-N 1 0 319.449 2.391 50 0 DEAARO O=C(C[C@@H]1CCOC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000352027063 404092264 /nfs/dbraw/zinc/09/22/64/404092264.db2.gz JOYUYKYKJAARRB-KRWDZBQOSA-N 1 0 302.418 2.325 50 0 DEAARO C/C=C\c1ccc(OCC(=O)N2CC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000567335800 292305971 /nfs/dbraw/zinc/30/59/71/292305971.db2.gz LSXLFWQXHVZYTG-XVWMLYKFSA-N 1 0 318.417 2.175 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@](F)(CO)C2)cc1)C(C)C ZINC000338738155 404510615 /nfs/dbraw/zinc/51/06/15/404510615.db2.gz CYQCIILCWMYRIB-SFHVURJKSA-N 1 0 322.424 2.463 50 0 DEAARO CC[N@H+](Cc1ccc(C(=O)N2CC[C@](F)(CO)C2)cc1)C(C)C ZINC000338738154 404510951 /nfs/dbraw/zinc/51/09/51/404510951.db2.gz CYQCIILCWMYRIB-GOSISDBHSA-N 1 0 322.424 2.463 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408473928 405215941 /nfs/dbraw/zinc/21/59/41/405215941.db2.gz SUIDOCHMAQBJIJ-MLGOLLRUSA-N 1 0 312.417 2.042 50 0 DEAARO Cc1ccc2c(CC(=O)N3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)coc2c1 ZINC000426386988 405356318 /nfs/dbraw/zinc/35/63/18/405356318.db2.gz XLONJZZNSXBCTG-WNKDZCFJSA-N 1 0 310.397 2.493 50 0 DEAARO [NH3+]Cc1nnc(SC[C@@H]2CCCCO2)n1Cc1ccccc1 ZINC000426514540 405366252 /nfs/dbraw/zinc/36/62/52/405366252.db2.gz CTLQNWOKPGDBLG-AWEZNQCLSA-N 1 0 318.446 2.446 50 0 DEAARO CCCN(Cc1nccn1C)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426544987 405368426 /nfs/dbraw/zinc/36/84/26/405368426.db2.gz IYVCEKSSNIMKDC-HNNXBMFYSA-N 1 0 306.454 2.423 50 0 DEAARO CC(C)[C@H](NC(=O)c1onc2c1CCCC2)c1nccn1C ZINC000426589759 405370239 /nfs/dbraw/zinc/37/02/39/405370239.db2.gz KFOXOZHOJIQKEW-ZDUSSCGKSA-N 1 0 302.378 2.414 50 0 DEAARO COCCOc1ccc(NC(=O)[C@@H](C)[NH+](C)C)cc1Cl ZINC000585131881 405875085 /nfs/dbraw/zinc/87/50/85/405875085.db2.gz IYEWBKLUSXCBJN-SNVBAGLBSA-N 1 0 300.786 2.254 50 0 DEAARO COC(=O)[C@]1(NCCCF)CCC[N@H+](Cc2ccccc2)C1 ZINC000584908499 405865347 /nfs/dbraw/zinc/86/53/47/405865347.db2.gz BCQIYWDUIQXGMB-KRWDZBQOSA-N 1 0 308.397 2.143 50 0 DEAARO Cc1cc(C)cc(OCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000129708301 196069101 /nfs/dbraw/zinc/06/91/01/196069101.db2.gz PMPXRLIJLQZSBO-MRXNPFEDSA-N 1 0 319.449 2.275 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 ZINC000299739605 229372913 /nfs/dbraw/zinc/37/29/13/229372913.db2.gz QNXXBOXPEVRLNY-SRVKXCTJSA-N 1 0 312.360 2.318 50 0 DEAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000299744579 229385228 /nfs/dbraw/zinc/38/52/28/229385228.db2.gz SZGZBWMVFQKNDG-OCCSQVGLSA-N 1 0 319.430 2.044 50 0 DEAARO Nc1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000534585402 421692696 /nfs/dbraw/zinc/69/26/96/421692696.db2.gz UULUYNYIFRWJHF-LLVKDONJSA-N 1 0 308.451 2.110 50 0 DEAARO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000048353589 424833013 /nfs/dbraw/zinc/83/30/13/424833013.db2.gz TWQDNCHWCYLEPJ-CYBMUJFWSA-N 1 0 300.362 2.267 50 0 DEAARO Cc1csc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000048262077 424830686 /nfs/dbraw/zinc/83/06/86/424830686.db2.gz OUDMKHUDOGBCGN-CQSZACIVSA-N 1 0 322.478 2.264 50 0 DEAARO CN(Cc1sccc1Br)C(=O)[C@H]1CCC[NH2+]C1 ZINC000121805734 424854087 /nfs/dbraw/zinc/85/40/87/424854087.db2.gz KATRJCKBKDYSMH-VIFPVBQESA-N 1 0 317.252 2.469 50 0 DEAARO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000108467105 424851296 /nfs/dbraw/zinc/85/12/96/424851296.db2.gz ZXNOPKSLNQIIJK-TZMCWYRMSA-N 1 0 316.492 2.081 50 0 DEAARO CC(C)(C)SCC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000252508856 424888066 /nfs/dbraw/zinc/88/80/66/424888066.db2.gz XWABVNLVACMCAQ-CQSZACIVSA-N 1 0 314.495 2.089 50 0 DEAARO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2ccccc2O1 ZINC000252511674 424888458 /nfs/dbraw/zinc/88/84/58/424888458.db2.gz JIHQOKVUHNRGGP-WVZRYYJFSA-N 1 0 300.402 2.388 50 0 DEAARO Cc1ccc(F)c(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000252510067 424888544 /nfs/dbraw/zinc/88/85/44/424888544.db2.gz ZBAIVITXQCEJPG-AWEZNQCLSA-N 1 0 305.397 2.243 50 0 DEAARO c1nc(NCCCC[NH+]2CCCCCC2)cc([C@@H]2CCOC2)n1 ZINC000426380418 425001342 /nfs/dbraw/zinc/00/13/42/425001342.db2.gz MUJAJKIBBUMQNV-MRXNPFEDSA-N 1 0 318.465 3.049 50 0 DEAARO CN1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000397844155 269107388 /nfs/dbraw/zinc/10/73/88/269107388.db2.gz RLJOLAGJZITCRO-ZIAGYGMSSA-N 1 0 311.470 2.362 50 0 DEAARO Cc1nc(-c2cc3cccc(C)c3nc2N2CC[NH2+]CC2)no1 ZINC000032578987 274835338 /nfs/dbraw/zinc/83/53/38/274835338.db2.gz SBGMATYWKOFKOL-UHFFFAOYSA-N 1 0 309.373 2.311 50 0 DEAARO c1nc2ccccc2n1CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000244763795 275076199 /nfs/dbraw/zinc/07/61/99/275076199.db2.gz OVTYLUCGMZKIKE-UHFFFAOYSA-N 1 0 322.416 2.039 50 0 DEAARO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000095971825 275541061 /nfs/dbraw/zinc/54/10/61/275541061.db2.gz FDSPTXVTTSTNBY-ZDUSSCGKSA-N 1 0 312.417 2.343 50 0 DEAARO CN(C(=O)c1c(F)cccc1Br)[C@@H]1CC[NH2+]C1 ZINC000122434208 276736245 /nfs/dbraw/zinc/73/62/45/276736245.db2.gz LCPCQFISUZJYAH-MRVPVSSYSA-N 1 0 301.159 2.022 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269101873 277031727 /nfs/dbraw/zinc/03/17/27/277031727.db2.gz DFAYWBMITYTYQI-IAQYHMDHSA-N 1 0 308.809 2.102 50 0 DEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 ZINC000053202946 277300201 /nfs/dbraw/zinc/30/02/01/277300201.db2.gz MGMUNKIGGLGQOW-NSHDSACASA-N 1 0 302.827 2.021 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC000132349429 278088740 /nfs/dbraw/zinc/08/87/40/278088740.db2.gz JAXIQUICMPHJRZ-DAWZGUTISA-N 1 0 321.440 2.465 50 0 DEAARO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000108465878 278279210 /nfs/dbraw/zinc/27/92/10/278279210.db2.gz AOYRSDCRDFWIAP-QBYUYEEZSA-N 1 0 304.434 2.488 50 0 DEAARO C[C@H](NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1)c1ccco1 ZINC000077656246 279429938 /nfs/dbraw/zinc/42/99/38/279429938.db2.gz WBIBFGOIIQSOQG-SUMWQHHRSA-N 1 0 308.422 2.378 50 0 DEAARO C[C@](O)(C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1)C(F)(F)F ZINC000328597810 280142129 /nfs/dbraw/zinc/14/21/29/280142129.db2.gz IVSSNGWCGJYRRY-MFKMUULPSA-N 1 0 308.344 2.377 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)C2CC[NH2+]CC2)[C@H](C)CO1 ZINC000237536749 281368823 /nfs/dbraw/zinc/36/88/23/281368823.db2.gz RIXVUUNOKCOAHQ-PBHICJAKSA-N 1 0 302.418 2.283 50 0 DEAARO C[C@H]1CCC[C@](CNC(=O)N2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC000131783687 299909305 /nfs/dbraw/zinc/90/93/05/299909305.db2.gz BTWQPFCLROULFB-YOEHRIQHSA-N 1 0 311.470 2.317 50 0 DEAARO OCCOCc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000574749591 326183255 /nfs/dbraw/zinc/18/32/55/326183255.db2.gz MRAHFGGUYPPFMP-UHFFFAOYSA-N 1 0 304.434 2.482 50 0 DEAARO CCn1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 ZINC000189606909 333163647 /nfs/dbraw/zinc/16/36/47/333163647.db2.gz QSDWGVPNWIPFNP-STQMWFEESA-N 1 0 305.344 2.476 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000299761250 334258021 /nfs/dbraw/zinc/25/80/21/334258021.db2.gz YJDBBFRUDNRFLN-HNNXBMFYSA-N 1 0 314.788 2.008 50 0 DEAARO COCCN(Cc1ccsc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000534644143 334306503 /nfs/dbraw/zinc/30/65/03/334306503.db2.gz FVIRCEAZZRKCLK-AWEZNQCLSA-N 1 0 308.447 2.113 50 0 DEAARO CC[N@@H+]1C[C@H](NC(=O)c2ccc3sc(C)nc3c2)[C@@H](OC)C1 ZINC000534650517 334311811 /nfs/dbraw/zinc/31/18/11/334311811.db2.gz DOGYWMUYSLHGPN-KBPBESRZSA-N 1 0 319.430 2.054 50 0 DEAARO Cc1cccc([C@@H](CNC(=O)CCc2cn[nH]c2)[NH+](C)C)c1 ZINC000534650915 334312011 /nfs/dbraw/zinc/31/20/11/334312011.db2.gz NWTJUYUZNBISTA-MRXNPFEDSA-N 1 0 300.406 2.070 50 0 DEAARO Cc1ccccc1OCCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000534653806 334312932 /nfs/dbraw/zinc/31/29/32/334312932.db2.gz JJSWDDQHGBTYKL-SFHVURJKSA-N 1 0 302.418 2.366 50 0 DEAARO CCc1cccc(OC2CN(C(=O)NCC(C)(C)[NH+](C)C)C2)c1 ZINC000534653770 334312971 /nfs/dbraw/zinc/31/29/71/334312971.db2.gz XAZCHFSDWDETOS-UHFFFAOYSA-N 1 0 319.449 2.362 50 0 DEAARO Cn1nccc1CCC(=O)NC(C)(C)C[NH+]1CCCCCC1 ZINC000534663346 334322780 /nfs/dbraw/zinc/32/27/80/334322780.db2.gz FEQLNDODYAMPIS-UHFFFAOYSA-N 1 0 306.454 2.124 50 0 DEAARO CN1CCO[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000083007608 337375808 /nfs/dbraw/zinc/37/58/08/337375808.db2.gz WCZZLTKOUSDITM-MRXNPFEDSA-N 1 0 320.820 2.286 50 0 DEAARO COc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1CO ZINC000097103156 337382207 /nfs/dbraw/zinc/38/22/07/337382207.db2.gz BENCBVOSAOUAMT-AVGNSLFASA-N 1 0 306.406 2.387 50 0 DEAARO c1[nH]nc2c1cccc2C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000097376984 337382678 /nfs/dbraw/zinc/38/26/78/337382678.db2.gz YTEOERHMDOGUDV-UHFFFAOYSA-N 1 0 307.401 2.276 50 0 DEAARO C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)[C@@H](C)O1 ZINC000294656557 533971420 /nfs/dbraw/zinc/97/14/20/533971420.db2.gz CJFRZFDNKLWGTL-UTJXIGIESA-N 1 0 317.433 2.114 50 0 DEAARO Cc1cccc(CNC(=O)CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000408522963 534713205 /nfs/dbraw/zinc/71/32/05/534713205.db2.gz FOKNYRZEXLGAAW-IBGZPJMESA-N 1 0 315.461 2.029 50 0 DEAARO CC(C)(C)OC(=O)N1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000328578006 526410523 /nfs/dbraw/zinc/41/05/23/526410523.db2.gz GAFGICFCCOVPRE-UHFFFAOYSA-N 1 0 304.394 2.028 50 0 DEAARO c1ncc(-c2nc(C3CC3)no2)c(NCC[NH+]2CCCCC2)n1 ZINC000263618986 563810574 /nfs/dbraw/zinc/81/05/74/563810574.db2.gz WJSVAZPWUZUGJZ-UHFFFAOYSA-N 1 0 314.393 2.302 50 0 DEAARO C[NH+]1CCN(CCOCCOc2ccc3ccccc3c2)CC1 ZINC000022184779 623635851 /nfs/dbraw/zinc/63/58/51/623635851.db2.gz YPJOELBUXHLNNF-UHFFFAOYSA-N 1 0 314.429 2.483 50 0 DEAARO C[NH+](C)CCc1noc(-c2c[nH]nc2-c2ccccc2F)n1 ZINC000020119156 625032856 /nfs/dbraw/zinc/03/28/56/625032856.db2.gz HBUCZDPDKAHICS-UHFFFAOYSA-N 1 0 301.325 2.370 50 0 DEAARO CC1([NH3+])CN(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000888096650 635532631 /nfs/dbraw/zinc/53/26/31/635532631.db2.gz NQUOHSQGZLOUEW-UHFFFAOYSA-N 1 0 303.587 2.276 50 0 DEAARO Cc1nn(C)c2ncc(C[N@H+](CCO)Cc3ccccc3)cc12 ZINC000171378548 646698730 /nfs/dbraw/zinc/69/87/30/646698730.db2.gz QYFGYLNXXQAGRG-UHFFFAOYSA-N 1 0 310.401 2.271 50 0 DEAARO CCS(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000874433091 648090594 /nfs/dbraw/zinc/09/05/94/648090594.db2.gz DLNMKBNICRDMOQ-CYBMUJFWSA-N 1 0 316.492 2.160 50 0 DEAARO CN(C(=O)c1cnccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014976263 683849350 /nfs/dbraw/zinc/84/93/50/683849350.db2.gz IKCILZNBBHEZGR-KRWDZBQOSA-N 1 0 324.428 2.256 50 0 DEAARO O=C(NC1Cc2ccccc2C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000036188130 683881044 /nfs/dbraw/zinc/88/10/44/683881044.db2.gz IISWKYWFWSJTQE-SFHVURJKSA-N 1 0 313.445 2.424 50 0 DEAARO Cc1cc(C)n([C@H]2CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)n1 ZINC000065424939 683923495 /nfs/dbraw/zinc/92/34/95/683923495.db2.gz QEGXUEQVTPWLSC-HNNXBMFYSA-N 1 0 314.437 2.424 50 0 DEAARO COc1cnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000077487041 683952695 /nfs/dbraw/zinc/95/26/95/683952695.db2.gz YYJAKGLRYHHRGH-UHFFFAOYSA-N 1 0 316.380 2.337 50 0 DEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000081364585 683990139 /nfs/dbraw/zinc/99/01/39/683990139.db2.gz YUZDYAFKNFQLGS-ZDUSSCGKSA-N 1 0 315.421 2.070 50 0 DEAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)C2 ZINC000161936878 684329107 /nfs/dbraw/zinc/32/91/07/684329107.db2.gz LFQPVTMHMUSFHB-HNNXBMFYSA-N 1 0 313.401 2.250 50 0 DEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191777038 684435946 /nfs/dbraw/zinc/43/59/46/684435946.db2.gz OMWIWGPEKTUANE-GOSISDBHSA-N 1 0 309.413 2.357 50 0 DEAARO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)nn1 ZINC000864086090 686615765 /nfs/dbraw/zinc/61/57/65/686615765.db2.gz DAFHRDQCPWJNNX-GFCCVEGCSA-N 1 0 322.409 2.028 50 0 DEAARO COc1ccc(-c2noc(-c3ccn(CC[NH+](C)C)n3)n2)cc1 ZINC000585133697 790326786 /nfs/dbraw/zinc/32/67/86/790326786.db2.gz RFCSXTPKXYAWCA-UHFFFAOYSA-N 1 0 313.361 2.170 50 0 DEAARO CN(C[C@H]1Cc2ccccc2O1)C(=O)C[NH+]1CCCCCC1 ZINC000827881285 783696011 /nfs/dbraw/zinc/69/60/11/783696011.db2.gz UUQGBORLMCXHEM-MRXNPFEDSA-N 1 0 302.418 2.325 50 0 DEAARO O=C(C1CCC1)N1CCC2(CC1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000581784328 784777166 /nfs/dbraw/zinc/77/71/66/784777166.db2.gz RNPRWYVCDFMBBO-MRXNPFEDSA-N 1 0 306.450 2.423 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)c2ccoc2)C1)C1CCN(C)CC1 ZINC000581799737 784778826 /nfs/dbraw/zinc/77/88/26/784778826.db2.gz QJVDAIZTLWGWAH-UHFFFAOYSA-N 1 0 319.449 2.156 50 0 DEAARO O=C1c2ccccc2CCN1CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000585081783 789679092 /nfs/dbraw/zinc/67/90/92/789679092.db2.gz AQRDOPAFNOCOSK-INIZCTEOSA-N 1 0 310.401 2.075 50 0 DEAARO C[N@@H+]1C[C@H]2CCCN(CCC(=O)Nc3cccc(F)c3)[C@@H]2C1 ZINC000585115991 789702867 /nfs/dbraw/zinc/70/28/67/789702867.db2.gz CSHQFTFFNBPPKB-CZUORRHYSA-N 1 0 305.397 2.180 50 0 DEAARO Oc1cccc2sc(C[NH2+][C@@H]3CCc4ncnn4C3)cc21 ZINC000952850506 792777318 /nfs/dbraw/zinc/77/73/18/792777318.db2.gz XJBUUHKLHLSHRS-SNVBAGLBSA-N 1 0 300.387 2.303 50 0 DEAARO CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1Cl ZINC000952869980 792786936 /nfs/dbraw/zinc/78/69/36/792786936.db2.gz RZBWRQYACHQCKX-CYBMUJFWSA-N 1 0 309.797 2.170 50 0 DEAARO c1cc(-c2noc(C3CCC([NH+]4CCOCC4)CC3)n2)ccn1 ZINC000952883248 792797561 /nfs/dbraw/zinc/79/75/61/792797561.db2.gz SMFMHYWRNHEUTC-UHFFFAOYSA-N 1 0 314.389 2.490 50 0 DEAARO CN1CC[NH+](C[C@@H]2CCCN(Cc3cnccc3Cl)C2)CC1 ZINC000952865037 792799572 /nfs/dbraw/zinc/79/95/72/792799572.db2.gz NTUKUWLGZWOUBR-HNNXBMFYSA-N 1 0 322.884 2.194 50 0 DEAARO Cc1nn(C)c(Cl)c1C[NH2+]CCc1cn2ccsc2n1 ZINC000952866600 792799985 /nfs/dbraw/zinc/79/99/85/792799985.db2.gz DBLBGVAWXUMXJQ-UHFFFAOYSA-N 1 0 309.826 2.423 50 0 DEAARO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000952988987 792869496 /nfs/dbraw/zinc/86/94/96/792869496.db2.gz YZZNRGBZKZTWHC-LLVKDONJSA-N 1 0 315.402 2.408 50 0 DEAARO CCc1nc(NC(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)nn1C ZINC000048327172 797143742 /nfs/dbraw/zinc/14/37/42/797143742.db2.gz FNZJSEPNTDWLHG-UHFFFAOYSA-N 1 0 322.457 2.150 50 0 DEAARO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529113578 1070862506 /nfs/dbraw/zinc/86/25/06/1070862506.db2.gz GIRQUAOZULQOAV-RHSMWYFYSA-N 1 0 317.820 2.474 50 0 DEAARO CC(C)C[N@@H+]1CCN(c2nnc(C(C)C)s2)C[C@@H]1CCO ZINC001529151637 1070885858 /nfs/dbraw/zinc/88/58/58/1070885858.db2.gz KVGPAWGEWSYHOO-ZDUSSCGKSA-N 1 0 312.483 2.191 50 0 DEAARO Cc1nncn1CC[N@@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC001506412469 1061954267 /nfs/dbraw/zinc/95/42/67/1061954267.db2.gz DFDCFHIRMAJPRR-OAHLLOKOSA-N 1 0 306.435 2.329 50 0 DEAARO O=C1C[C@H](C[NH2+]C2CSCCSC2)CN1c1ccccc1 ZINC001506410869 1061954357 /nfs/dbraw/zinc/95/43/57/1061954357.db2.gz GIGZSJVUBNFPEN-CYBMUJFWSA-N 1 0 322.499 2.478 50 0 DEAARO Cc1nc2ccccc2c(N(C)C[C@H]2CCC[N@H+](CCO)C2)n1 ZINC001506413169 1061956201 /nfs/dbraw/zinc/95/62/01/1061956201.db2.gz HKMPEGMBSANKNY-OAHLLOKOSA-N 1 0 314.433 2.079 50 0 DEAARO Cc1cc(F)ccc1N1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC001506421534 1061963933 /nfs/dbraw/zinc/96/39/33/1061963933.db2.gz JCYRLBXEIRVEDM-AWEZNQCLSA-N 1 0 317.412 2.373 50 0 DEAARO Cc1ncc(CO)c(C[NH2+]CCCc2ccccc2F)c1O ZINC001506421210 1061965269 /nfs/dbraw/zinc/96/52/69/1061965269.db2.gz HASYUAFJVDBXSK-UHFFFAOYSA-N 1 0 304.365 2.449 50 0 DEAARO Cn1ccc2cc(CN3CCOC[C@H](C[NH+](C)C)C3)ccc21 ZINC000823689943 1090695595 /nfs/dbraw/zinc/69/55/95/1090695595.db2.gz HJLMQBWTNCTZFJ-MRXNPFEDSA-N 1 0 301.434 2.188 50 0 DEAARO CCC[NH+]1CCC(CC(=O)NCCc2nnc(C)s2)CC1 ZINC000095509001 185375995 /nfs/dbraw/zinc/37/59/95/185375995.db2.gz IAAHPGTWBWUVPP-UHFFFAOYSA-N 1 0 310.467 2.017 50 0 DEAARO COc1ccc2nc(C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)ccc2c1 ZINC000078894622 185123837 /nfs/dbraw/zinc/12/38/37/185123837.db2.gz WQUROYOMUVGSLQ-PXAZEXFGSA-N 1 0 313.401 2.266 50 0 DEAARO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@@H]2CCO)C2CC2)o1 ZINC000078922911 185129121 /nfs/dbraw/zinc/12/91/21/185129121.db2.gz XSVSUXXWYYJXRZ-OAHLLOKOSA-N 1 0 320.433 2.316 50 0 DEAARO C[C@H](C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000079354148 185166574 /nfs/dbraw/zinc/16/65/74/185166574.db2.gz ZFQAZKBLANEMSP-VYDXJSESSA-N 1 0 304.434 2.406 50 0 DEAARO CC(C)n1cc(Br)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059179 185238337 /nfs/dbraw/zinc/23/83/37/185238337.db2.gz ZTMVMQRCXRIQHV-JTQLQIEISA-N 1 0 314.227 2.265 50 0 DEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cnc2cc(C)ccn12 ZINC000089949123 185270993 /nfs/dbraw/zinc/27/09/93/185270993.db2.gz DIAAHGAMMMKHBH-NVXWUHKLSA-N 1 0 314.433 2.379 50 0 DEAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000090412186 185294984 /nfs/dbraw/zinc/29/49/84/185294984.db2.gz QFXDLKAFJFWKMR-DGCLKSJQSA-N 1 0 309.385 2.289 50 0 DEAARO COC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082120582 192358607 /nfs/dbraw/zinc/35/86/07/192358607.db2.gz NOEBHFCSZWQYHO-UHFFFAOYSA-N 1 0 306.410 2.278 50 0 DEAARO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1CN(C)c1ccccc1 ZINC000095398566 185353461 /nfs/dbraw/zinc/35/34/61/185353461.db2.gz VSNHBYYRQNEGNP-INIZCTEOSA-N 1 0 310.463 2.022 50 0 DEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NCC1(O)CCC1 ZINC000095399566 185353759 /nfs/dbraw/zinc/35/37/59/185353759.db2.gz WNBCJOSCAXLPAV-INIZCTEOSA-N 1 0 317.433 2.038 50 0 DEAARO CC(C)N1CCC[C@H]([NH+]2CCC(C(=O)OC(C)(C)C)CC2)C1=O ZINC000095407282 185356351 /nfs/dbraw/zinc/35/63/51/185356351.db2.gz JDVIQHIKDDHHTA-HNNXBMFYSA-N 1 0 324.465 2.440 50 0 DEAARO CC(C)Oc1cccc([C@@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000095417419 185359192 /nfs/dbraw/zinc/35/91/92/185359192.db2.gz LFFDYEAXAHIVTP-YOEHRIQHSA-N 1 0 320.433 2.108 50 0 DEAARO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)CO2 ZINC000095418953 185359656 /nfs/dbraw/zinc/35/96/56/185359656.db2.gz SLLGIBHWXWISQV-HIFRSBDPSA-N 1 0 303.406 2.164 50 0 DEAARO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 ZINC000095423851 185361149 /nfs/dbraw/zinc/36/11/49/185361149.db2.gz KXTBXTRRVFOWIW-HUUCEWRRSA-N 1 0 317.433 2.232 50 0 DEAARO Cc1cncc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)c1 ZINC000095445871 185367653 /nfs/dbraw/zinc/36/76/53/185367653.db2.gz QKGCYQLRGXADJR-UHFFFAOYSA-N 1 0 313.401 2.300 50 0 DEAARO CCCn1nc(-c2cccc(F)c2)cc1C(=O)NCC[NH+](C)C ZINC000034902804 539334147 /nfs/dbraw/zinc/33/41/47/539334147.db2.gz XEGIJEZDYDTOCJ-UHFFFAOYSA-N 1 0 318.396 2.391 50 0 DEAARO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000095454745 185369890 /nfs/dbraw/zinc/36/98/90/185369890.db2.gz ASMWTVAHLQIRJS-INIZCTEOSA-N 1 0 302.378 2.259 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097020526 185398302 /nfs/dbraw/zinc/39/83/02/185398302.db2.gz MOQSMSPTBHPHDB-ZANVPECISA-N 1 0 306.303 2.393 50 0 DEAARO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc3cc(C)ccc3o2)CC1 ZINC000097032774 185399633 /nfs/dbraw/zinc/39/96/33/185399633.db2.gz IJOWQYPQTKHRRI-KRWDZBQOSA-N 1 0 317.385 2.487 50 0 DEAARO Cc1cc(C)c2[nH]c(=O)c(CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2c1 ZINC000077425479 539363130 /nfs/dbraw/zinc/36/31/30/539363130.db2.gz SGXOEVMTALHJDD-WMLDXEAASA-N 1 0 311.429 2.281 50 0 DEAARO O=C1[C@@H]([NH2+]C2CCOCC2)CCN1c1ccc(Cl)c(F)c1 ZINC000090941669 539418213 /nfs/dbraw/zinc/41/82/13/539418213.db2.gz PDWNJGVTDKAGOR-AWEZNQCLSA-N 1 0 312.772 2.353 50 0 DEAARO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000090455093 539416480 /nfs/dbraw/zinc/41/64/80/539416480.db2.gz WCYNTWKPSFMLOG-NHYWBVRUSA-N 1 0 316.380 2.413 50 0 DEAARO Cc1cccc2c(C[N@@H+]3CC[C@@H](CNC(=O)CO)C3)cccc12 ZINC000067975011 190740591 /nfs/dbraw/zinc/74/05/91/190740591.db2.gz NDBKGBPRODSWSB-HNNXBMFYSA-N 1 0 312.413 2.079 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000255001250 282606070 /nfs/dbraw/zinc/60/60/70/282606070.db2.gz HISYUPXDPAOBPH-DMTLFAOVSA-N 1 0 309.207 2.412 50 0 DEAARO CC(C)C[C@@H]([NH3+])C(=O)NCC1(c2cccc(F)c2)CCOCC1 ZINC000071751800 191022957 /nfs/dbraw/zinc/02/29/57/191022957.db2.gz LJFZCHOZLGTFIV-MRXNPFEDSA-N 1 0 322.424 2.364 50 0 DEAARO CSc1cccc(CN(C)Cc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072139029 191047891 /nfs/dbraw/zinc/04/78/91/191047891.db2.gz QHVUATFNKYOVCP-UHFFFAOYSA-N 1 0 302.447 2.340 50 0 DEAARO COCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000072151139 191056042 /nfs/dbraw/zinc/05/60/42/191056042.db2.gz CRCOXRKMVSUBEZ-GOSISDBHSA-N 1 0 302.418 2.261 50 0 DEAARO COCC[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157194 191060538 /nfs/dbraw/zinc/06/05/38/191060538.db2.gz OPCZOXARZJQTEF-BMGDILEWSA-N 1 0 322.399 2.473 50 0 DEAARO Cc1nc2c(cnn2C)c(N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000072159310 191062388 /nfs/dbraw/zinc/06/23/88/191062388.db2.gz JWYJVZJVWQJTQR-CQSZACIVSA-N 1 0 316.453 2.086 50 0 DEAARO CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000084800928 192468310 /nfs/dbraw/zinc/46/83/10/192468310.db2.gz AXWPUSWNEJDLIY-BRWVUGGUSA-N 1 0 308.466 2.382 50 0 DEAARO CCn1ccnc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000072301262 191115222 /nfs/dbraw/zinc/11/52/22/191115222.db2.gz OFMQHUGNVSGBNF-CQSZACIVSA-N 1 0 320.462 2.128 50 0 DEAARO C[C@@H](C1CCN(C(=O)CCc2ccco2)CC1)[NH+]1CCOCC1 ZINC000072422994 191158195 /nfs/dbraw/zinc/15/81/95/191158195.db2.gz FSQSYLANWHOMJU-HNNXBMFYSA-N 1 0 320.433 2.172 50 0 DEAARO CC(C)CCN1CC2(CC[NH+](C[C@@H]3CCOC3)CC2)OC1=O ZINC000072428012 191162104 /nfs/dbraw/zinc/16/21/04/191162104.db2.gz WLNBGHRZSQTEML-HNNXBMFYSA-N 1 0 310.438 2.356 50 0 DEAARO Cc1[nH]c2c(cccc2C[N@H+]2CC[C@](O)(CN(C)C)C2)c1C ZINC000072434505 191166685 /nfs/dbraw/zinc/16/66/85/191166685.db2.gz WINKWKWHOOFERT-SFHVURJKSA-N 1 0 301.434 2.283 50 0 DEAARO Cc1ncc2c(c1CNC(=O)c1cccc3cc[nH]c31)CC[NH2+]C2 ZINC000072458271 191173132 /nfs/dbraw/zinc/17/31/32/191173132.db2.gz ILAYEAYUCNBOOF-UHFFFAOYSA-N 1 0 320.396 2.447 50 0 DEAARO COc1cc(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)ccc1F ZINC000072473141 191176004 /nfs/dbraw/zinc/17/60/04/191176004.db2.gz JHSLYLGFKHNOQT-UHFFFAOYSA-N 1 0 308.353 2.251 50 0 DEAARO CC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000003583271 181036916 /nfs/dbraw/zinc/03/69/16/181036916.db2.gz GBPZWWOVXVOYGM-UHFFFAOYSA-N 1 0 317.433 2.194 50 0 DEAARO CC(C)c1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000003605726 181039736 /nfs/dbraw/zinc/03/97/36/181039736.db2.gz HVQZRVYXSDNSNS-UHFFFAOYSA-N 1 0 317.418 2.495 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C)C1 ZINC000004248008 181088072 /nfs/dbraw/zinc/08/80/72/181088072.db2.gz IKTWWBOPIQJMLJ-HOTGVXAUSA-N 1 0 321.417 2.010 50 0 DEAARO Cc1ccc([C@H](CNC(=O)CCCn2cccn2)[NH+](C)C)cc1 ZINC000051469764 354385729 /nfs/dbraw/zinc/38/57/29/354385729.db2.gz QEWNCTSIRMELBM-KRWDZBQOSA-N 1 0 314.433 2.391 50 0 DEAARO COc1cc(C(=O)OCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC000004603489 181129473 /nfs/dbraw/zinc/12/94/73/181129473.db2.gz VORIBVGDDIHJRP-UHFFFAOYSA-N 1 0 311.378 2.209 50 0 DEAARO COc1ccccc1OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004570728 181126242 /nfs/dbraw/zinc/12/62/42/181126242.db2.gz HTGODGNZBPVABZ-UHFFFAOYSA-N 1 0 320.433 2.499 50 0 DEAARO c1cnn(-c2ccc(C[N@H+]3CCC[C@H]3Cn3cncn3)cc2)c1 ZINC000069629532 354871154 /nfs/dbraw/zinc/87/11/54/354871154.db2.gz KWLWXODCXSINEV-KRWDZBQOSA-N 1 0 308.389 2.128 50 0 DEAARO O=C(CCCc1ccccc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269324 354899714 /nfs/dbraw/zinc/89/97/14/354899714.db2.gz BLGQFERAJUGIBT-QZTJIDSGSA-N 1 0 316.445 2.067 50 0 DEAARO C[C@@H](O)C[NH2+]CCOc1ccc(Br)cc1Cl ZINC000004833578 181159289 /nfs/dbraw/zinc/15/92/89/181159289.db2.gz PYXZJKQJGPKKMC-MRVPVSSYSA-N 1 0 308.603 2.452 50 0 DEAARO CN(c1nccn2cnnc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775100 191359785 /nfs/dbraw/zinc/35/97/85/191359785.db2.gz RMGJWOQPOUWNPO-INIZCTEOSA-N 1 0 322.416 2.225 50 0 DEAARO c1cnc(SCCC[NH2+]Cc2ccc3c(c2)OCO3)nc1 ZINC000004984031 181184165 /nfs/dbraw/zinc/18/41/65/181184165.db2.gz UGRYZKUNMKVNIV-UHFFFAOYSA-N 1 0 303.387 2.477 50 0 DEAARO CCOc1ccc(C[NH2+]CCCN2CCOCC2)cc1OCC ZINC000005019220 181191908 /nfs/dbraw/zinc/19/19/08/181191908.db2.gz YYZGSAQYFXBMDF-UHFFFAOYSA-N 1 0 322.449 2.296 50 0 DEAARO Cc1ccc(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)nc1 ZINC000097200794 355702363 /nfs/dbraw/zinc/70/23/63/355702363.db2.gz YAVDDWUDVQZRIE-QAPCUYQASA-N 1 0 324.428 2.350 50 0 DEAARO Cc1ccnc([C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C2CC2)n1 ZINC000097376513 355705192 /nfs/dbraw/zinc/70/51/92/355705192.db2.gz KFNGYDVRNZSBOS-JKSUJKDBSA-N 1 0 314.433 2.227 50 0 DEAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccs2)CC12CCOCC2 ZINC000097942756 355706545 /nfs/dbraw/zinc/70/65/45/355706545.db2.gz MMZUIKZOILOHGE-CYBMUJFWSA-N 1 0 308.447 2.179 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(COC)n1 ZINC000106868371 355725986 /nfs/dbraw/zinc/72/59/86/355725986.db2.gz KGOLBBDUTMVUGF-UONOGXRCSA-N 1 0 323.462 2.378 50 0 DEAARO C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129678080 355835820 /nfs/dbraw/zinc/83/58/20/355835820.db2.gz NTINXDJBAPXIJE-ZIAGYGMSSA-N 1 0 323.412 2.186 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccccc2Cl)CC1 ZINC000133544492 355856363 /nfs/dbraw/zinc/85/63/63/355856363.db2.gz KHQVPZALYOBTBK-SEEARECTSA-N 1 0 310.825 2.410 50 0 DEAARO COC[C@@H]1CN(C(=O)c2ccc(C)c(C)c2)CC12CC[NH2+]CC2 ZINC000169783724 355982619 /nfs/dbraw/zinc/98/26/19/355982619.db2.gz DZBAWMUXKDJONY-KRWDZBQOSA-N 1 0 316.445 2.392 50 0 DEAARO CC(C)(C)C(=O)N1CCC2(C[N@@H+](C3CCC3)C[C@H]2CO)CC1 ZINC000169792940 355984785 /nfs/dbraw/zinc/98/47/85/355984785.db2.gz OIUQPCKCGJZLOK-AWEZNQCLSA-N 1 0 308.466 2.118 50 0 DEAARO Cc1ccn(-c2ccccc2CNC(=O)[C@@]2(C)CCC[NH2+]C2)n1 ZINC000195554415 356257032 /nfs/dbraw/zinc/25/70/32/356257032.db2.gz MOSRQPPXYHAGNU-SFHVURJKSA-N 1 0 312.417 2.187 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000225545063 356276892 /nfs/dbraw/zinc/27/68/92/356276892.db2.gz NQLOOWBKEMMBMV-CGTJXYLNSA-N 1 0 316.445 2.377 50 0 DEAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NCc2ccco2)C1 ZINC000080900669 192199334 /nfs/dbraw/zinc/19/93/34/192199334.db2.gz BQQGJISXNFVIPM-DYVFJYSZSA-N 1 0 308.422 2.063 50 0 DEAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000253370157 356336415 /nfs/dbraw/zinc/33/64/15/356336415.db2.gz MZSNVJGVKXQGBB-WIEQDCTASA-N 1 0 315.479 2.342 50 0 DEAARO CCn1cc(C2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)cn1 ZINC000237017756 202124508 /nfs/dbraw/zinc/12/45/08/202124508.db2.gz MYKJWHPZTDLSSQ-HOCLYGCPSA-N 1 0 304.438 2.127 50 0 DEAARO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000380226204 356668889 /nfs/dbraw/zinc/66/88/89/356668889.db2.gz WXXCLYPKKJSUTE-SNVBAGLBSA-N 1 0 318.236 2.222 50 0 DEAARO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)cnn1Cc1ccccc1 ZINC000237115617 202156885 /nfs/dbraw/zinc/15/68/85/202156885.db2.gz AIVUPJHUPMZDTJ-UHFFFAOYSA-N 1 0 312.417 2.064 50 0 DEAARO COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000237247551 202203838 /nfs/dbraw/zinc/20/38/38/202203838.db2.gz RTDKYUIJNIHSFE-VBQJREDUSA-N 1 0 320.433 2.186 50 0 DEAARO COc1cccc2ncn(C[C@H](C)[NH+]3CCCCC3)c(=O)c21 ZINC000584895158 357329144 /nfs/dbraw/zinc/32/91/44/357329144.db2.gz MQCPBRWZHRPAMD-ZDUSSCGKSA-N 1 0 301.390 2.280 50 0 DEAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1sccc1Cl ZINC000584899753 357330385 /nfs/dbraw/zinc/33/03/85/357330385.db2.gz PGTNNJDGFWDTNS-NSHDSACASA-N 1 0 316.854 2.368 50 0 DEAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000185679456 199877179 /nfs/dbraw/zinc/87/71/79/199877179.db2.gz URPFLDZFPZELKB-GDBMZVCRSA-N 1 0 311.447 2.316 50 0 DEAARO C[C@@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CC[NH2+]1 ZINC000188443584 200247432 /nfs/dbraw/zinc/24/74/32/200247432.db2.gz LNYBWCCJAKIZEV-LLVKDONJSA-N 1 0 316.323 2.338 50 0 DEAARO O=C([C@@H]1CCC[NH2+]1)N1CCC(OCc2ccccc2F)CC1 ZINC000237833254 202365788 /nfs/dbraw/zinc/36/57/88/202365788.db2.gz HEXMIGLUCLDUSL-INIZCTEOSA-N 1 0 306.381 2.085 50 0 DEAARO Cn1cncc1C[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000237923668 202391104 /nfs/dbraw/zinc/39/11/04/202391104.db2.gz OFLZAOMMRDZGDW-UHFFFAOYSA-N 1 0 301.390 2.259 50 0 DEAARO COCCC1(C[NH2+][C@H]2CCc3nc(C)nn3C2)CCCCC1 ZINC000189124630 200352875 /nfs/dbraw/zinc/35/28/75/200352875.db2.gz DJAIEAPHLREMLM-HNNXBMFYSA-N 1 0 306.454 2.478 50 0 DEAARO CC(=O)NCC[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006086127 181311127 /nfs/dbraw/zinc/31/11/27/181311127.db2.gz MKTLMYJUDAGJEP-UHFFFAOYSA-N 1 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GJGPPHANPCJKJJ-HNNXBMFYSA-N 1 0 319.453 2.167 50 0 DEAARO Cc1cnc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cn1 ZINC000670462514 540937672 /nfs/dbraw/zinc/93/76/72/540937672.db2.gz UFRSWKQEWQQTOC-KRWDZBQOSA-N 1 0 324.428 2.394 50 0 DEAARO OCC1([NH2+]CCc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000628215261 366772248 /nfs/dbraw/zinc/77/22/48/366772248.db2.gz CVUWTRMQBXMAOM-UHFFFAOYSA-N 1 0 303.324 2.379 50 0 DEAARO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000194081424 201175446 /nfs/dbraw/zinc/17/54/46/201175446.db2.gz ANTMRBXSTRVSRI-QGZVFWFLSA-N 1 0 306.450 2.375 50 0 DEAARO CCOc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(N)=O ZINC000006701415 181373869 /nfs/dbraw/zinc/37/38/69/181373869.db2.gz MOGRLSGKJCOKNQ-GFCCVEGCSA-N 1 0 308.422 2.474 50 0 DEAARO CCCc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CCC)C1 ZINC000091289392 193031388 /nfs/dbraw/zinc/03/13/88/193031388.db2.gz UHOABBIRGOPKOW-CHWSQXEVSA-N 1 0 322.478 2.437 50 0 DEAARO C[NH+](C)[C@H]1CN(Cc2noc(C3CCCC3)n2)C[C@@H]1C1CC1 ZINC000091651105 193084750 /nfs/dbraw/zinc/08/47/50/193084750.db2.gz JPZJHLBHYFRHRQ-CABCVRRESA-N 1 0 304.438 2.499 50 0 DEAARO O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000091626024 193081748 /nfs/dbraw/zinc/08/17/48/193081748.db2.gz URFVOKHEBNMPOF-JTQLQIEISA-N 1 0 303.189 2.240 50 0 DEAARO CN(CC(=O)c1ccc(O)cc1)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000091906723 193124632 /nfs/dbraw/zinc/12/46/32/193124632.db2.gz WKRRCVFTWKXGCY-AWEZNQCLSA-N 1 0 318.417 2.155 50 0 DEAARO C/C=C(\C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091997902 193139938 /nfs/dbraw/zinc/13/99/38/193139938.db2.gz XJSZUMTZWIQPGE-LZWSPWQCSA-N 1 0 316.449 2.471 50 0 DEAARO C[NH+](C)CC[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1ccccc1 ZINC000252502589 202856388 /nfs/dbraw/zinc/85/63/88/202856388.db2.gz URDZOBAUIMUFFD-BBWFWOEESA-N 1 0 304.434 2.347 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCOc2ccccc21 ZINC000043166050 284060828 /nfs/dbraw/zinc/06/08/28/284060828.db2.gz RJZBYQMCWDKPTP-BZUAXINKSA-N 1 0 315.417 2.436 50 0 DEAARO C[N@H+](C1Cc2ccccc2C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000264681460 204075957 /nfs/dbraw/zinc/07/59/57/204075957.db2.gz CWMCLRWNSREKHW-CQSZACIVSA-N 1 0 312.335 2.249 50 0 DEAARO CC(=O)Nc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010300149 181663987 /nfs/dbraw/zinc/66/39/87/181663987.db2.gz UGCWEGWGGZYFII-UHFFFAOYSA-N 1 0 317.433 2.497 50 0 DEAARO O=c1cc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)nc2sccn21 ZINC000015456774 182003701 /nfs/dbraw/zinc/00/37/01/182003701.db2.gz LGEQWOAUPKEQHP-GHMZBOCLSA-N 1 0 320.443 2.260 50 0 DEAARO C[NH+]1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000016604120 182052466 /nfs/dbraw/zinc/05/24/66/182052466.db2.gz LEWVHXMIUSNTBG-UHFFFAOYSA-N 1 0 308.250 2.206 50 0 DEAARO Cc1ccc(OCC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019210992 182107407 /nfs/dbraw/zinc/10/74/07/182107407.db2.gz CKGSKCOKAFQVKQ-UHFFFAOYSA-N 1 0 302.418 2.461 50 0 DEAARO CCc1ccc2oc(=O)cc(CN3CC[NH+](CC)CC3)c2c1 ZINC000019371320 182119703 /nfs/dbraw/zinc/11/97/03/182119703.db2.gz MXRUVZVEEAJRIH-UHFFFAOYSA-N 1 0 300.402 2.493 50 0 DEAARO COc1ccc(CN2CC[NH+](CC3CC3)CC2)c(OC)c1OC ZINC000019759942 182144311 /nfs/dbraw/zinc/14/43/11/182144311.db2.gz PSJNVITZQGVVEG-UHFFFAOYSA-N 1 0 320.433 2.240 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000019790762 182148957 /nfs/dbraw/zinc/14/89/57/182148957.db2.gz HPOYUWITWNOUEZ-QGZVFWFLSA-N 1 0 320.477 2.496 50 0 DEAARO O=C(NCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000019817898 182153589 /nfs/dbraw/zinc/15/35/89/182153589.db2.gz MLQCZWUBOTXRNZ-UHFFFAOYSA-N 1 0 309.413 2.192 50 0 DEAARO CCn1c2ccccc2c2cc(CNCC[NH2+]CCO)ccc21 ZINC000019872284 182159307 /nfs/dbraw/zinc/15/93/07/182159307.db2.gz NKMGIBZOAOEJGC-UHFFFAOYSA-N 1 0 311.429 2.486 50 0 DEAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000020386128 182213730 /nfs/dbraw/zinc/21/37/30/182213730.db2.gz SOCMLQSMPFUXCL-HIFRSBDPSA-N 1 0 316.401 2.043 50 0 DEAARO CCC[N@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000020807319 182247883 /nfs/dbraw/zinc/24/78/83/182247883.db2.gz SIJCBYFSGSIBLU-INIZCTEOSA-N 1 0 316.401 2.449 50 0 DEAARO CC(C)n1cc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cn1 ZINC000020998018 182258010 /nfs/dbraw/zinc/25/80/10/182258010.db2.gz HAWMSQVAIHXPJX-GOSISDBHSA-N 1 0 320.481 2.133 50 0 DEAARO CC(C)n1cc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cn1 ZINC000020998020 182258252 /nfs/dbraw/zinc/25/82/52/182258252.db2.gz HAWMSQVAIHXPJX-SFHVURJKSA-N 1 0 320.481 2.133 50 0 DEAARO O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCCCC1 ZINC000021581889 182280770 /nfs/dbraw/zinc/28/07/70/182280770.db2.gz ZOQWNQVYVHKQHZ-KRWDZBQOSA-N 1 0 302.418 2.197 50 0 DEAARO Cn1cc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000021633806 182281468 /nfs/dbraw/zinc/28/14/68/182281468.db2.gz FRZDIYPXKQDJQJ-BQYQJAHWSA-N 1 0 324.428 2.214 50 0 DEAARO CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccco1 ZINC000022038351 182305913 /nfs/dbraw/zinc/30/59/13/182305913.db2.gz GMEFUNVJRSNEIS-INIZCTEOSA-N 1 0 313.401 2.061 50 0 DEAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)c(OC)c1OC ZINC000022587927 182327343 /nfs/dbraw/zinc/32/73/43/182327343.db2.gz CQEKBAGFAXPWRM-UKRRQHHQSA-N 1 0 320.433 2.381 50 0 DEAARO C[C@H](C(N)=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022795882 182334706 /nfs/dbraw/zinc/33/47/06/182334706.db2.gz WFBGWLWXEOJYEV-MRXNPFEDSA-N 1 0 323.440 2.267 50 0 DEAARO CC[C@H](c1cccnc1)N(C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000023159312 182352023 /nfs/dbraw/zinc/35/20/23/182352023.db2.gz CUXJBKVILKOFGB-QGZVFWFLSA-N 1 0 314.437 2.181 50 0 DEAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023118555 182348826 /nfs/dbraw/zinc/34/88/26/182348826.db2.gz FRIGCLUXWZWQPX-KRWDZBQOSA-N 1 0 310.413 2.125 50 0 DEAARO CC(C)[NH+]1CCC(CNC(=O)COc2ccccc2F)CC1 ZINC000023127911 182349452 /nfs/dbraw/zinc/34/94/52/182349452.db2.gz OTYCOBRMNGHLFU-UHFFFAOYSA-N 1 0 308.397 2.441 50 0 DEAARO COC[C@@H](C)NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000039985798 183026579 /nfs/dbraw/zinc/02/65/79/183026579.db2.gz UTEKJBJKPXSJOS-OAHLLOKOSA-N 1 0 304.434 2.092 50 0 DEAARO C[NH+](C)C1(CNCc2nc3ccccc3c(=O)[nH]2)CCCCC1 ZINC000040221318 183047264 /nfs/dbraw/zinc/04/72/64/183047264.db2.gz DQFHGPHPDIMHHI-UHFFFAOYSA-N 1 0 314.433 2.277 50 0 DEAARO C[NH+](C)C(C)(C)CNC(=O)Cc1csc(-c2ccccn2)n1 ZINC000040473777 183074514 /nfs/dbraw/zinc/07/45/14/183074514.db2.gz LEQKLOHSUXUKSF-UHFFFAOYSA-N 1 0 318.446 2.204 50 0 DEAARO CCc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000040526015 183091945 /nfs/dbraw/zinc/09/19/45/183091945.db2.gz PBRSCPFDAIRGMG-MRXNPFEDSA-N 1 0 305.422 2.217 50 0 DEAARO O=C(NCCCC[NH+]1CCOCC1)c1cc2c(s1)CCCC2 ZINC000040541027 183097986 /nfs/dbraw/zinc/09/79/86/183097986.db2.gz LCORBTRYXBTCOC-UHFFFAOYSA-N 1 0 322.474 2.469 50 0 DEAARO CN(C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000106535231 194226564 /nfs/dbraw/zinc/22/65/64/194226564.db2.gz RWDHNBWOWYEVCT-DLBZAZTESA-N 1 0 317.433 2.081 50 0 DEAARO Cc1cccc([C@H](C)[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000285328864 218383421 /nfs/dbraw/zinc/38/34/21/218383421.db2.gz BPHPHMHGGFYPQP-AWEZNQCLSA-N 1 0 310.463 2.317 50 0 DEAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000110646551 194346268 /nfs/dbraw/zinc/34/62/68/194346268.db2.gz GFXDCBVUZZIACZ-ZIAGYGMSSA-N 1 0 303.431 2.410 50 0 DEAARO CCOCCOCC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000056983788 184023458 /nfs/dbraw/zinc/02/34/58/184023458.db2.gz VFJAKYPTJVFIFM-UHFFFAOYSA-N 1 0 322.449 2.198 50 0 DEAARO Cc1ccccc1C1(C(=O)NCC[NH+]2CCCC2)CCOCC1 ZINC000057384073 184036680 /nfs/dbraw/zinc/03/66/80/184036680.db2.gz KLONJYHLBPVCPR-UHFFFAOYSA-N 1 0 316.445 2.255 50 0 DEAARO C[NH+](C)[C@H](CNc1cncc(-n2cccn2)n1)c1ccsc1 ZINC000058077479 184073383 /nfs/dbraw/zinc/07/33/83/184073383.db2.gz MPRMQEJBLTXUOW-CYBMUJFWSA-N 1 0 314.418 2.439 50 0 DEAARO C[C@H](c1ccccc1Cl)[N@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000058367352 184109252 /nfs/dbraw/zinc/10/92/52/184109252.db2.gz FPNSFXNTGGRGGS-SNVBAGLBSA-N 1 0 309.797 2.450 50 0 DEAARO O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)c1ccccc1F ZINC000058264089 184095132 /nfs/dbraw/zinc/09/51/32/184095132.db2.gz BUSXULFNSWYVBT-HNNXBMFYSA-N 1 0 303.333 2.420 50 0 DEAARO O=C(Cc1noc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058323959 184105140 /nfs/dbraw/zinc/10/51/40/184105140.db2.gz WUGSSSLVXSJDAU-CQSZACIVSA-N 1 0 313.401 2.457 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 ZINC000058331277 184106585 /nfs/dbraw/zinc/10/65/85/184106585.db2.gz XELONFLGZYXIHL-LSDHHAIUSA-N 1 0 322.416 2.461 50 0 DEAARO OCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000062360701 184233254 /nfs/dbraw/zinc/23/32/54/184233254.db2.gz JAJGVTQDKVCQLH-QGZVFWFLSA-N 1 0 307.340 2.493 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1c(C)onc1-c1ccccn1 ZINC000064472171 184298037 /nfs/dbraw/zinc/29/80/37/184298037.db2.gz IBLSERKWVDRPAR-UHFFFAOYSA-N 1 0 302.378 2.117 50 0 DEAARO Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1CC[NH+]1CCCC1 ZINC000065178096 184313818 /nfs/dbraw/zinc/31/38/18/184313818.db2.gz VHQLZWZSOVJTLM-MRXNPFEDSA-N 1 0 319.449 2.110 50 0 DEAARO CCc1cc(N[C@H](c2nccn2C)C2CC2)nc(N(C)C)[nH+]1 ZINC000065422883 184341709 /nfs/dbraw/zinc/34/17/09/184341709.db2.gz QOQJHGMGIGSYDO-AWEZNQCLSA-N 1 0 300.410 2.402 50 0 DEAARO Cc1csc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000065437745 184345544 /nfs/dbraw/zinc/34/55/44/184345544.db2.gz YJAREXOLJSQXJG-CYBMUJFWSA-N 1 0 308.451 2.221 50 0 DEAARO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000065463607 184349397 /nfs/dbraw/zinc/34/93/97/184349397.db2.gz PIOTTXQFZCMYCC-CYBMUJFWSA-N 1 0 315.751 2.483 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H](n3cccn3)C2)CC1 ZINC000065611221 184373207 /nfs/dbraw/zinc/37/32/07/184373207.db2.gz IHEAZOOFKKUIMM-KRWDZBQOSA-N 1 0 318.465 2.415 50 0 DEAARO O=C(CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000067649907 184476597 /nfs/dbraw/zinc/47/65/97/184476597.db2.gz XFFQXENNPYNXLP-GOSISDBHSA-N 1 0 300.402 2.252 50 0 DEAARO CC[NH+](CC)Cc1ccc(C(=O)NCCOC(=O)C2CC2)cc1 ZINC000289522448 221038848 /nfs/dbraw/zinc/03/88/48/221038848.db2.gz DHHLFELNGGPAMD-UHFFFAOYSA-N 1 0 318.417 2.211 50 0 DEAARO CCCc1ccc(CN2CCN([C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000216510071 257273305 /nfs/dbraw/zinc/27/33/05/257273305.db2.gz DXPCPCOMSDBMGR-IBGZPJMESA-N 1 0 317.477 2.444 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000237627062 257238345 /nfs/dbraw/zinc/23/83/45/257238345.db2.gz AGYYQFJJKFYKBI-WDEREUQCSA-N 1 0 320.343 2.102 50 0 DEAARO C[C@@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)CC[NH2+]1 ZINC000237356520 257239309 /nfs/dbraw/zinc/23/93/09/257239309.db2.gz WTLAMROXXKCUSM-CQSZACIVSA-N 1 0 311.385 2.095 50 0 DEAARO O=C(c1ccccc1)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000071797422 184844626 /nfs/dbraw/zinc/84/46/26/184844626.db2.gz VLXJOTPLIYRZOA-UHFFFAOYSA-N 1 0 302.374 2.034 50 0 DEAARO CCc1noc2ncc(C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])cc12 ZINC000121785455 195347404 /nfs/dbraw/zinc/34/74/04/195347404.db2.gz UEQJDYFNMMAMPF-HZMBPMFUSA-N 1 0 302.378 2.127 50 0 DEAARO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC[C@@H]1CCCO1 ZINC000685943781 542769204 /nfs/dbraw/zinc/76/92/04/542769204.db2.gz VXCWKRBGDDTTID-MWDXBVQZSA-N 1 0 316.401 2.022 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](c1cccs1)N(C)C)CN2 ZINC000058428886 292022109 /nfs/dbraw/zinc/02/21/09/292022109.db2.gz KAVBEXNQIITJIV-KBPBESRZSA-N 1 0 319.478 2.187 50 0 DEAARO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)O)cc1 ZINC000186212201 292185679 /nfs/dbraw/zinc/18/56/79/292185679.db2.gz WNOOPIIJSASNCD-NUEKZKHPSA-N 1 0 311.447 2.050 50 0 DEAARO Cc1ncsc1CN(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000111668732 401720341 /nfs/dbraw/zinc/72/03/41/401720341.db2.gz GMADIEINBXJJTC-CQSZACIVSA-N 1 0 301.415 2.124 50 0 DEAARO C[NH+](C)C1(CNc2nnnn2-c2ccccc2)CCCCC1 ZINC000008063215 401748477 /nfs/dbraw/zinc/74/84/77/401748477.db2.gz KTHWRAXTZMYMPL-UHFFFAOYSA-N 1 0 300.410 2.339 50 0 DEAARO CN1CCSc2ccc(C(=O)NCCC[NH+]3CCCC3)cc21 ZINC000006802504 401732692 /nfs/dbraw/zinc/73/26/92/401732692.db2.gz GIHTYGWAKMFGMP-UHFFFAOYSA-N 1 0 319.474 2.444 50 0 DEAARO Fc1ccc(-c2nsc3c2ncnc3N2CC[NH2+]CC2)cc1 ZINC000006767456 401732923 /nfs/dbraw/zinc/73/29/23/401732923.db2.gz LESURAYUJPQMLK-UHFFFAOYSA-N 1 0 315.377 2.302 50 0 DEAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000006883173 401733781 /nfs/dbraw/zinc/73/37/81/401733781.db2.gz FSFKYDUDHGTDLV-UHFFFAOYSA-N 1 0 322.836 2.411 50 0 DEAARO Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]CCO)c2ccccc2)cc1 ZINC000006936173 401734406 /nfs/dbraw/zinc/73/44/06/401734406.db2.gz AFNARYZLVYNTOL-OALUTQOASA-N 1 0 315.413 2.044 50 0 DEAARO Cc1cc(OC[C@@H](O)C[NH2+]CCCO)c(C(C)C)cc1Cl ZINC000007063771 401736600 /nfs/dbraw/zinc/73/66/00/401736600.db2.gz AZQDERRRWQBLAU-ZDUSSCGKSA-N 1 0 315.841 2.484 50 0 DEAARO OC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000074981441 401746290 /nfs/dbraw/zinc/74/62/90/401746290.db2.gz QEVJMIQMKONJQD-UHFFFAOYSA-N 1 0 305.296 2.421 50 0 DEAARO COc1ccc2[nH]c(C(=O)N(C)C3CC[NH+](C)CC3)cc2c1 ZINC000000147249 401688532 /nfs/dbraw/zinc/68/85/32/401688532.db2.gz VSRMSYPYZNCCHC-UHFFFAOYSA-N 1 0 301.390 2.343 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2Cn2cccn2)cc1 ZINC000071866786 401689271 /nfs/dbraw/zinc/68/92/71/401689271.db2.gz JAAAIBNQQRPQHL-KRWDZBQOSA-N 1 0 312.417 2.250 50 0 DEAARO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000071875674 401690368 /nfs/dbraw/zinc/69/03/68/401690368.db2.gz VNHZAVGTWWHQEM-WBVHZDCISA-N 1 0 301.390 2.090 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000126376361 401691277 /nfs/dbraw/zinc/69/12/77/401691277.db2.gz YPZMPYCFNYFNQL-JTQLQIEISA-N 1 0 305.378 2.383 50 0 DEAARO C[C@H](O)C[NH+](Cc1ccccc1Br)C[C@H](C)O ZINC000000216337 401691400 /nfs/dbraw/zinc/69/14/00/401691400.db2.gz YYWCQYGMXQINLO-QWRGUYRKSA-N 1 0 302.212 2.013 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000071880524 401691731 /nfs/dbraw/zinc/69/17/31/401691731.db2.gz PYONVGDAGYNYTG-QWHCGFSZSA-N 1 0 308.344 2.041 50 0 DEAARO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000000239788 401691950 /nfs/dbraw/zinc/69/19/50/401691950.db2.gz RHWZVTQSCHNNHS-CYBMUJFWSA-N 1 0 306.406 2.260 50 0 DEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000000293912 401693659 /nfs/dbraw/zinc/69/36/59/401693659.db2.gz JGJQXWOPITYZNV-AWEZNQCLSA-N 1 0 307.390 2.479 50 0 DEAARO Cc1ccc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000316569 401694430 /nfs/dbraw/zinc/69/44/30/401694430.db2.gz TYESMUHJEJONGO-UHFFFAOYSA-N 1 0 302.418 2.461 50 0 DEAARO O=S(=O)(c1cccc2c(Cl)cccc21)N1CCC[NH2+]CC1 ZINC000000402771 401696614 /nfs/dbraw/zinc/69/66/14/401696614.db2.gz OZSMSRIUUDGTEP-UHFFFAOYSA-N 1 0 324.833 2.477 50 0 in-vitro DEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000000757353 401702673 /nfs/dbraw/zinc/70/26/73/401702673.db2.gz RONBKLAQNBHZDJ-MRVPVSSYSA-N 1 0 303.225 2.208 50 0 DEAARO CC(C)C[NH+]1CCC([C@H]2CCN(c3ccnc(N)n3)C2)CC1 ZINC000072150670 401703508 /nfs/dbraw/zinc/70/35/08/401703508.db2.gz QDZBWYWAFOQHHT-HNNXBMFYSA-N 1 0 303.454 2.253 50 0 DEAARO CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000072269145 401704689 /nfs/dbraw/zinc/70/46/89/401704689.db2.gz XENJAMUDHZGBDS-IRXDYDNUSA-N 1 0 316.445 2.022 50 0 DEAARO CCOc1cc(CNC(=O)CCC[NH+]2CCCCC2)ccn1 ZINC000072301494 401708302 /nfs/dbraw/zinc/70/83/02/401708302.db2.gz AQERBHYKLNJGCB-UHFFFAOYSA-N 1 0 305.422 2.363 50 0 DEAARO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)co1 ZINC000072412129 401709581 /nfs/dbraw/zinc/70/95/81/401709581.db2.gz QERLJPRNFQXTDB-UHFFFAOYSA-N 1 0 313.405 2.408 50 0 DEAARO CSC(C)(C)CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072548082 401710774 /nfs/dbraw/zinc/71/07/74/401710774.db2.gz DJKXPQNMKWAJGA-UHFFFAOYSA-N 1 0 314.495 2.279 50 0 DEAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000002710212 401717215 /nfs/dbraw/zinc/71/72/15/401717215.db2.gz ISTLWXRSTWXUDC-INIZCTEOSA-N 1 0 321.417 2.010 50 0 DEAARO COc1ccc(OC)c(NC2=NC3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000002814354 401718940 /nfs/dbraw/zinc/71/89/40/401718940.db2.gz SNRTYKYWDXOOJU-UHFFFAOYSA-N 1 0 317.393 2.050 50 0 DEAARO Cc1cc(S(=O)(=O)NCCC[NH+](C)C)c(C)cc1Cl ZINC000013939004 401805278 /nfs/dbraw/zinc/80/52/78/401805278.db2.gz CYDVZKYMXDSUCR-UHFFFAOYSA-N 1 0 304.843 2.187 50 0 DEAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000008750783 401756514 /nfs/dbraw/zinc/75/65/14/401756514.db2.gz PCVPRQZHLVIYMB-HSBZDZAISA-N 1 0 306.406 2.305 50 0 DEAARO Cc1ccc(C)c(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000075572732 401762805 /nfs/dbraw/zinc/76/28/05/401762805.db2.gz HVVZKLIIZCQCRD-OAHLLOKOSA-N 1 0 319.449 2.334 50 0 DEAARO O=C(NCC[NH+]1CCCC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000009728152 401765829 /nfs/dbraw/zinc/76/58/29/401765829.db2.gz XIVZUFWWWSQYQA-UHFFFAOYSA-N 1 0 310.401 2.001 50 0 DEAARO Cc1nccn1CCCC(=O)N1CCCC[C@H]1CC[NH+](C)C ZINC000077319270 401810004 /nfs/dbraw/zinc/81/00/04/401810004.db2.gz DJKGFZKAXTUCOK-INIZCTEOSA-N 1 0 306.454 2.305 50 0 DEAARO O=S(=O)(Cc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000010280040 401769420 /nfs/dbraw/zinc/76/94/20/401769420.db2.gz LXMZARKRUOYKRC-UHFFFAOYSA-N 1 0 314.426 2.121 50 0 DEAARO CCOc1c(Cl)cc(C[NH2+]CCOCCO)cc1Cl ZINC000010436472 401770220 /nfs/dbraw/zinc/77/02/20/401770220.db2.gz BSGSHRKPQDJYGK-UHFFFAOYSA-N 1 0 308.205 2.491 50 0 DEAARO COCc1ccccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000076081984 401781067 /nfs/dbraw/zinc/78/10/67/401781067.db2.gz RGOFVUJZUAWVJI-UHFFFAOYSA-N 1 0 317.393 2.235 50 0 DEAARO Cc1ccc(CN(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000076081988 401781137 /nfs/dbraw/zinc/78/11/37/401781137.db2.gz SYODRZOUWPLROZ-UHFFFAOYSA-N 1 0 321.450 2.479 50 0 DEAARO COc1cc(C[NH2+]CCSc2nccn2C)cc2c1OCO2 ZINC000012539595 401787832 /nfs/dbraw/zinc/78/78/32/401787832.db2.gz HMSRGQKGLOBOOZ-UHFFFAOYSA-N 1 0 321.402 2.039 50 0 DEAARO CC[NH+]1CCN(c2ccc(Nc3ncnc4n[nH]cc43)cc2)CC1 ZINC000012547863 401788322 /nfs/dbraw/zinc/78/83/22/401788322.db2.gz HUXUDOIOQIWLBF-UHFFFAOYSA-N 1 0 323.404 2.238 50 0 DEAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cc[n+]([O-])cc1 ZINC000012762904 401791082 /nfs/dbraw/zinc/79/10/82/401791082.db2.gz HGBYHJKTXAGIRM-MRXNPFEDSA-N 1 0 317.433 2.237 50 0 DEAARO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCN3CCOC3=O)C2)cc1 ZINC000076394085 401794337 /nfs/dbraw/zinc/79/43/37/401794337.db2.gz BMUVZYNYYFUUJU-UKRRQHHQSA-N 1 0 304.390 2.325 50 0 DEAARO O=C(NC1CCCCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000076491439 401796313 /nfs/dbraw/zinc/79/63/13/401796313.db2.gz FMWJJBAIEMQUTJ-INIZCTEOSA-N 1 0 309.454 2.262 50 0 DEAARO O=C(NC1CCCCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000076491459 401796335 /nfs/dbraw/zinc/79/63/35/401796335.db2.gz FMWJJBAIEMQUTJ-MRXNPFEDSA-N 1 0 309.454 2.262 50 0 DEAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccccc3)cn2)CC1 ZINC000020374095 401823646 /nfs/dbraw/zinc/82/36/46/401823646.db2.gz GHXSXRZFUBRTRJ-UHFFFAOYSA-N 1 0 324.428 2.405 50 0 DEAARO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000028081675 401850103 /nfs/dbraw/zinc/85/01/03/401850103.db2.gz IRBZPKWBPRQSBT-LLVKDONJSA-N 1 0 307.419 2.215 50 0 DEAARO CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000078553410 401855563 /nfs/dbraw/zinc/85/55/63/401855563.db2.gz HIFMKZVNYRKLPH-UHFFFAOYSA-N 1 0 310.444 2.087 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@H](C)Cn1cccn1)O[C@H](C)C2 ZINC000030904463 401867164 /nfs/dbraw/zinc/86/71/64/401867164.db2.gz VOIANIOZHFSWHI-CHWSQXEVSA-N 1 0 301.390 2.393 50 0 DEAARO Cc1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)no1 ZINC000031096603 401868473 /nfs/dbraw/zinc/86/84/73/401868473.db2.gz UGSLKOJKPKBAGA-UHFFFAOYSA-N 1 0 324.450 2.466 50 0 DEAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1sccc1C)CC2 ZINC000014541861 401812039 /nfs/dbraw/zinc/81/20/39/401812039.db2.gz ZORBESNNERATHF-UHFFFAOYSA-N 1 0 321.446 2.305 50 0 DEAARO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nnc(C3CCCCC3)o2)C1 ZINC000014977826 401814611 /nfs/dbraw/zinc/81/46/11/401814611.db2.gz XPZZWAULLIVTDZ-CQSZACIVSA-N 1 0 320.437 2.212 50 0 DEAARO Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cn1 ZINC000031766480 401873680 /nfs/dbraw/zinc/87/36/80/401873680.db2.gz QRNDSEQBOVLZRQ-UHFFFAOYSA-N 1 0 324.428 2.442 50 0 DEAARO Cc1nc(Cc2ccccc2)sc1C(=O)NCC[NH+](C)C ZINC000031867942 401874500 /nfs/dbraw/zinc/87/45/00/401874500.db2.gz SEMVEIYRZHOIHV-UHFFFAOYSA-N 1 0 303.431 2.334 50 0 DEAARO CC[C@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000117345308 401874845 /nfs/dbraw/zinc/87/48/45/401874845.db2.gz RAOJRIMSQNKAQK-AWEZNQCLSA-N 1 0 315.417 2.484 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000032270274 401877456 /nfs/dbraw/zinc/87/74/56/401877456.db2.gz DKYKFPSEXPNYET-GFCCVEGCSA-N 1 0 312.360 2.051 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)c(C)c2)CC1 ZINC000032978521 401887165 /nfs/dbraw/zinc/88/71/65/401887165.db2.gz WLWWLLKIRRIBAY-KRWDZBQOSA-N 1 0 317.433 2.254 50 0 DEAARO O=C(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)Nc1cccc(F)c1 ZINC000089099538 401935532 /nfs/dbraw/zinc/93/55/32/401935532.db2.gz SSOWYENEQPUJEM-HOTGVXAUSA-N 1 0 322.380 2.034 50 0 DEAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000134129280 401899413 /nfs/dbraw/zinc/89/94/13/401899413.db2.gz IKRIVKFFAYWDNH-HOCLYGCPSA-N 1 0 314.495 2.240 50 0 DEAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000118564575 401900860 /nfs/dbraw/zinc/90/08/60/401900860.db2.gz ZCBRQCDGKDADTF-DZGCQCFKSA-N 1 0 311.470 2.221 50 0 DEAARO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000084155204 401902826 /nfs/dbraw/zinc/90/28/26/401902826.db2.gz XQDLZQULWYUSPA-INIZCTEOSA-N 1 0 305.422 2.473 50 0 DEAARO O[C@H](COCc1ccccc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000084962178 401912629 /nfs/dbraw/zinc/91/26/29/401912629.db2.gz IGBPRWQRHJJHBX-MOPGFXCFSA-N 1 0 318.461 2.124 50 0 DEAARO C[C@H](C[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 ZINC000085792487 401918870 /nfs/dbraw/zinc/91/88/70/401918870.db2.gz PHAFBIXQFWRGFT-CVEARBPZSA-N 1 0 324.490 2.394 50 0 DEAARO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000038014036 401920104 /nfs/dbraw/zinc/92/01/04/401920104.db2.gz KLMOJJIMSNVZNT-JTQLQIEISA-N 1 0 308.451 2.407 50 0 DEAARO C[C@H](CNS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000038110495 401922486 /nfs/dbraw/zinc/92/24/86/401922486.db2.gz ZHNGJTIQOWCENQ-CYBMUJFWSA-N 1 0 314.426 2.226 50 0 DEAARO COc1ncccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000044907585 401950788 /nfs/dbraw/zinc/95/07/88/401950788.db2.gz HMRSOXLUMOYXDD-GFCCVEGCSA-N 1 0 305.403 2.184 50 0 DEAARO CC(C)(C[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C)NS(C)(=O)=O ZINC000089581221 401953069 /nfs/dbraw/zinc/95/30/69/401953069.db2.gz IEBYZUSQRIYEBR-AGIUHOORSA-N 1 0 302.484 2.119 50 0 DEAARO CC(C)(C)NC(=O)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000089643078 401955943 /nfs/dbraw/zinc/95/59/43/401955943.db2.gz SNIQQFDKUZKDND-UHFFFAOYSA-N 1 0 317.477 2.198 50 0 DEAARO COC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000048326455 401998304 /nfs/dbraw/zinc/99/83/04/401998304.db2.gz KNKCSABYIBARJZ-CYBMUJFWSA-N 1 0 319.405 2.469 50 0 DEAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)o1 ZINC000090395671 401982048 /nfs/dbraw/zinc/98/20/48/401982048.db2.gz OZFRWXUHTNHFKC-RYUDHWBXSA-N 1 0 304.394 2.246 50 0 DEAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1C ZINC000089266552 401940542 /nfs/dbraw/zinc/94/05/42/401940542.db2.gz DTMRFTAURGAQIF-JSGCOSHPSA-N 1 0 322.405 2.236 50 0 DEAARO O=C(NCCc1ccncc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095355836 402026807 /nfs/dbraw/zinc/02/68/07/402026807.db2.gz HLUHFUMNHGCNJM-UHFFFAOYSA-N 1 0 313.401 2.246 50 0 DEAARO CC[NH+]1CCC(CC(=O)NC[C@@H](c2ccc(C)o2)N(C)C)CC1 ZINC000095385487 402031133 /nfs/dbraw/zinc/03/11/33/402031133.db2.gz RXLVZXKKKUFJNY-INIZCTEOSA-N 1 0 321.465 2.429 50 0 DEAARO CCOC(=O)N(C)C1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000095401512 402031898 /nfs/dbraw/zinc/03/18/98/402031898.db2.gz YYAKQECZCQBPPX-UHFFFAOYSA-N 1 0 312.454 2.480 50 0 DEAARO Cc1ccc(OC[C@H](O)CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951803 402038170 /nfs/dbraw/zinc/03/81/70/402038170.db2.gz LEVRPIAGUNUHHO-GOSISDBHSA-N 1 0 318.461 2.295 50 0 DEAARO C[C@H](CC[NH+]1CCCC1)NC(=O)N1CCOC2(CCCC2)C1 ZINC000095970008 402038564 /nfs/dbraw/zinc/03/85/64/402038564.db2.gz LFVXQFQDPKCNOW-OAHLLOKOSA-N 1 0 309.454 2.215 50 0 DEAARO COC(=O)[C@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000095981655 402041320 /nfs/dbraw/zinc/04/13/20/402041320.db2.gz OWQGNCBOFYYBPS-DLBZAZTESA-N 1 0 302.418 2.071 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC=CC1 ZINC000096007049 402046592 /nfs/dbraw/zinc/04/65/92/402046592.db2.gz DUXDIXQHWMUYOB-GOSISDBHSA-N 1 0 314.429 2.226 50 0 DEAARO COCCOc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000053030827 402049934 /nfs/dbraw/zinc/04/99/34/402049934.db2.gz AWPPXWYEVKPNMD-HNNXBMFYSA-N 1 0 320.433 2.316 50 0 DEAARO O=C(/C=C\c1ccco1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000096295344 402076712 /nfs/dbraw/zinc/07/67/12/402076712.db2.gz YMBIPQSZGKGCHJ-SREVYHEPSA-N 1 0 318.417 2.444 50 0 DEAARO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000096402312 402077903 /nfs/dbraw/zinc/07/79/03/402077903.db2.gz KCVNFVBKTFDRHU-QGZVFWFLSA-N 1 0 322.474 2.468 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)/C=C\c2cnn(C)c2)C1 ZINC000096401831 402077922 /nfs/dbraw/zinc/07/79/22/402077922.db2.gz YTDLXCNHLWQMEE-SRLDXXQCSA-N 1 0 318.465 2.306 50 0 DEAARO COc1cccc(CN2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000096415706 402081240 /nfs/dbraw/zinc/08/12/40/402081240.db2.gz COFGVLLIMVHXAF-UHFFFAOYSA-N 1 0 304.434 2.382 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)C1 ZINC000096439331 402087193 /nfs/dbraw/zinc/08/71/93/402087193.db2.gz BHKGLOWGNHMNOH-ZBFHGGJFSA-N 1 0 321.469 2.014 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCOC3)C2)c1 ZINC000096448421 402089217 /nfs/dbraw/zinc/08/92/17/402089217.db2.gz MUZVGFCUWPEBPD-LSDHHAIUSA-N 1 0 320.433 2.251 50 0 DEAARO C[NH+](C)CCS[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000096486231 402094931 /nfs/dbraw/zinc/09/49/31/402094931.db2.gz DMQGQXGCUWWLFO-LLVKDONJSA-N 1 0 317.252 2.270 50 0 DEAARO C1=CC[C@@H](C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000096490046 402095695 /nfs/dbraw/zinc/09/56/95/402095695.db2.gz GSHMNDCKCAMQEF-CQSZACIVSA-N 1 0 302.422 2.421 50 0 DEAARO O=C(Nc1cnc(C2CC2)nc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000096491433 402095992 /nfs/dbraw/zinc/09/59/92/402095992.db2.gz CKUWLLJEVZFIHD-ZDUSSCGKSA-N 1 0 315.421 2.304 50 0 DEAARO COCC[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000058305862 402099687 /nfs/dbraw/zinc/09/96/87/402099687.db2.gz OCOWFIXQPSFSPF-OAHLLOKOSA-N 1 0 319.357 2.190 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058391482 402100916 /nfs/dbraw/zinc/10/09/16/402100916.db2.gz SEMQRYOEXCJFNN-CQSZACIVSA-N 1 0 319.497 2.183 50 0 DEAARO Fc1cc(F)c(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1F ZINC000097037638 402101362 /nfs/dbraw/zinc/10/13/62/402101362.db2.gz KVDOPPSEPUKBRV-LLVKDONJSA-N 1 0 317.307 2.116 50 0 DEAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000097049235 402102676 /nfs/dbraw/zinc/10/26/76/402102676.db2.gz SYQRFBDQJOJZEZ-SOLBZPMBSA-N 1 0 313.445 2.452 50 0 DEAARO C[C@]([NH3+])(C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)C1CC1 ZINC000097049379 402102731 /nfs/dbraw/zinc/10/27/31/402102731.db2.gz UOEKVXPCMCOXSA-GDBMZVCRSA-N 1 0 308.809 2.447 50 0 DEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccnn1 ZINC000097142527 402110942 /nfs/dbraw/zinc/11/09/42/402110942.db2.gz AAVFIPDGAMCEIS-HIFRSBDPSA-N 1 0 311.389 2.119 50 0 DEAARO CC(C)N(Cc1nccn1C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000097346732 402122121 /nfs/dbraw/zinc/12/21/21/402122121.db2.gz ROCGWHYKYIEKBT-UHFFFAOYSA-N 1 0 301.394 2.321 50 0 DEAARO Cc1nn(C)c2nc(NCCCOC3CC[NH+](C)CC3)sc12 ZINC000096151643 402062905 /nfs/dbraw/zinc/06/29/05/402062905.db2.gz SMDFMOYRFCBZGB-UHFFFAOYSA-N 1 0 323.466 2.251 50 0 DEAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000054174482 402063908 /nfs/dbraw/zinc/06/39/08/402063908.db2.gz NOTPSMBOVDVACG-HNNXBMFYSA-N 1 0 318.808 2.284 50 0 DEAARO C[N@@H+]1CCOC[C@H](CNC(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000097547692 402126829 /nfs/dbraw/zinc/12/68/29/402126829.db2.gz HHKVLBBCFIVHCT-SNVBAGLBSA-N 1 0 315.776 2.179 50 0 DEAARO CC(=O)Nc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000097527264 402126943 /nfs/dbraw/zinc/12/69/43/402126943.db2.gz LFLGTMGYFVVZOP-ZDUSSCGKSA-N 1 0 320.368 2.096 50 0 DEAARO OC1(C[NH+]2CCCC2)CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000097635150 402128877 /nfs/dbraw/zinc/12/88/77/402128877.db2.gz IKDMCXODCWHNQD-UHFFFAOYSA-N 1 0 310.388 2.388 50 0 DEAARO O=C1CC[C@@H]([N@@H+]2CCc3nc[nH]c3C2)CCN1Cc1ccccc1 ZINC000097675528 402130024 /nfs/dbraw/zinc/13/00/24/402130024.db2.gz ACLWWUFXLLOZNT-MRXNPFEDSA-N 1 0 324.428 2.349 50 0 DEAARO C[N@H+](CCNC(=O)[C@H]1CCOC(C)(C)C1)CCc1ccccc1 ZINC000097698845 402130577 /nfs/dbraw/zinc/13/05/77/402130577.db2.gz XWMJERQFHDNSRM-KRWDZBQOSA-N 1 0 318.461 2.482 50 0 DEAARO CCc1cc(C(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000097813767 402132348 /nfs/dbraw/zinc/13/23/48/402132348.db2.gz GJEZWCCNGRJHTI-INIZCTEOSA-N 1 0 300.406 2.347 50 0 DEAARO CCc1cc(C(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000097813768 402132740 /nfs/dbraw/zinc/13/27/40/402132740.db2.gz GJEZWCCNGRJHTI-MRXNPFEDSA-N 1 0 300.406 2.347 50 0 DEAARO O=c1[nH]c(NCc2ccc(-n3ccnc3)nc2)nc2ccccc21 ZINC000097994973 402133918 /nfs/dbraw/zinc/13/39/18/402133918.db2.gz CVXRRRRPWARBJS-UHFFFAOYSA-N 1 0 318.340 2.116 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCO1 ZINC000097373442 402123087 /nfs/dbraw/zinc/12/30/87/402123087.db2.gz LVPMLGFLMWILHJ-BJJXKVORSA-N 1 0 306.381 2.478 50 0 DEAARO Cn1c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 ZINC000066973241 402148358 /nfs/dbraw/zinc/14/83/58/402148358.db2.gz DFYVZXHGZOPYSC-CQSZACIVSA-N 1 0 322.416 2.122 50 0 DEAARO COc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000067947730 402179633 /nfs/dbraw/zinc/17/96/33/402179633.db2.gz SADSQHQTLKLWFP-QGZVFWFLSA-N 1 0 319.405 2.311 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC000068491988 402200384 /nfs/dbraw/zinc/20/03/84/402200384.db2.gz WKSAVDXVOWLNIJ-GJZGRUSLSA-N 1 0 322.424 2.404 50 0 DEAARO C[NH+]1CCC(Cc2noc(Cc3ccc4c(c3)OCO4)n2)CC1 ZINC000067513909 402161076 /nfs/dbraw/zinc/16/10/76/402161076.db2.gz JRPQTBXLYGUBRK-UHFFFAOYSA-N 1 0 315.373 2.273 50 0 DEAARO Cc1cnc(C(=O)NCC[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000067489773 402161478 /nfs/dbraw/zinc/16/14/78/402161478.db2.gz ZJCNADNHXRFVCJ-OAHLLOKOSA-N 1 0 304.438 2.273 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000067514178 402161722 /nfs/dbraw/zinc/16/17/22/402161722.db2.gz QCPJSMIEFYRRNM-INIZCTEOSA-N 1 0 308.447 2.101 50 0 DEAARO Cc1csc(NC(=O)c2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000067603521 402164177 /nfs/dbraw/zinc/16/41/77/402164177.db2.gz NDZVEHNZYXFAOW-AWEZNQCLSA-N 1 0 317.414 2.270 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cccc(F)c2)n1 ZINC000067630205 402165947 /nfs/dbraw/zinc/16/59/47/402165947.db2.gz XKXMZPQSFJVNTG-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO CCCn1cnnc1C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000067872754 402177118 /nfs/dbraw/zinc/17/71/18/402177118.db2.gz ZPVCPDLZYUCPAB-HNNXBMFYSA-N 1 0 300.406 2.344 50 0 DEAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](c1ccsc1)N(C)C)CN2 ZINC000069348587 402218675 /nfs/dbraw/zinc/21/86/75/402218675.db2.gz IFMMXAOBZOUPNE-ZFWWWQNUSA-N 1 0 319.478 2.187 50 0 DEAARO O=C(NCc1cccc(Cl)c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106905391 402221372 /nfs/dbraw/zinc/22/13/72/402221372.db2.gz 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COCCN1CC[N@@H+]([C@@H](C)Cc2ccc(C)cc2)CCC1=O ZINC000011813271 635783885 /nfs/dbraw/zinc/78/38/85/635783885.db2.gz RQHZQXSVABINJY-INIZCTEOSA-N 1 0 304.434 2.107 50 0 DEAARO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000157887018 646574442 /nfs/dbraw/zinc/57/44/42/646574442.db2.gz VPEWPSCRBAQFJX-OAHLLOKOSA-N 1 0 324.446 2.090 50 0 DEAARO CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014541256 683848668 /nfs/dbraw/zinc/84/86/68/683848668.db2.gz AIFUFSJOWBOZDA-AWEZNQCLSA-N 1 0 318.465 2.149 50 0 DEAARO CSc1ccc(CN(CCO)C(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000055309659 683922280 /nfs/dbraw/zinc/92/22/80/683922280.db2.gz IICVLVLHCBGFMA-HNNXBMFYSA-N 1 0 310.463 2.103 50 0 DEAARO CC(=O)Nc1ccsc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072120749 683927230 /nfs/dbraw/zinc/92/72/30/683927230.db2.gz BNAAJNRKXKACKE-GFCCVEGCSA-N 1 0 309.435 2.263 50 0 DEAARO Cc1nnc(NC(=O)C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000585130812 790326833 /nfs/dbraw/zinc/32/68/33/790326833.db2.gz 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CCCCS(=O)(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000822880434 1090649152 /nfs/dbraw/zinc/64/91/52/1090649152.db2.gz OJUFHXMBJOVQFX-UHFFFAOYSA-N 1 0 324.490 2.370 50 0 DEAARO Cc1nn(C)cc1CN(C)c1cc(N2CCCCC2)ncn1 ZINC000823743825 1090696359 /nfs/dbraw/zinc/69/63/59/1090696359.db2.gz LAMVENFCXRQWHR-UHFFFAOYSA-N 1 0 300.410 2.145 50 0 DEAARO C[C@@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000076981087 185063175 /nfs/dbraw/zinc/06/31/75/185063175.db2.gz CBTYAHNGNQOIGX-BBRMVZONSA-N 1 0 302.422 2.268 50 0 DEAARO OCc1csc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095523389 185377717 /nfs/dbraw/zinc/37/77/17/185377717.db2.gz QSQUVKJOHZWXQG-UHFFFAOYSA-N 1 0 321.421 2.487 50 0 DEAARO C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000088058955 185238406 /nfs/dbraw/zinc/23/84/06/185238406.db2.gz ZTQSOXOPLDMTTQ-QMMMGPOBSA-N 1 0 301.159 2.022 50 0 DEAARO O=C(CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)Nc1ccccc1 ZINC000082097731 192355547 /nfs/dbraw/zinc/35/55/47/192355547.db2.gz YCLFZQPMEXDARY-MRXNPFEDSA-N 1 0 318.417 2.333 50 0 DEAARO Cc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(N)[nH+]1 ZINC000082109471 192358353 /nfs/dbraw/zinc/35/83/53/192358353.db2.gz DLTKUCCBHOMVAV-CQSZACIVSA-N 1 0 312.421 2.358 50 0 DEAARO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000095415403 185358754 /nfs/dbraw/zinc/35/87/54/185358754.db2.gz HSTOPCDDMMTPFB-LLVKDONJSA-N 1 0 324.833 2.413 50 0 DEAARO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)CO2 ZINC000095418950 185359705 /nfs/dbraw/zinc/35/97/05/185359705.db2.gz SLLGIBHWXWISQV-DZGCQCFKSA-N 1 0 303.406 2.164 50 0 DEAARO NC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000095430328 185362850 /nfs/dbraw/zinc/36/28/50/185362850.db2.gz DTDNVKWJDUSTKF-JTQLQIEISA-N 1 0 320.343 2.052 50 0 DEAARO C[C@@H]([NH2+]CC1(O)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000095422362 185361011 /nfs/dbraw/zinc/36/10/11/185361011.db2.gz DLFZQANKOPRKOD-AEFFLSMTSA-N 1 0 318.461 2.171 50 0 DEAARO CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)C1CCCC1 ZINC000077026698 539363298 /nfs/dbraw/zinc/36/32/98/539363298.db2.gz IPYFJUBBKPDOJZ-UHFFFAOYSA-N 1 0 310.438 2.053 50 0 DEAARO CCn1cc(Br)cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000036856770 190663934 /nfs/dbraw/zinc/66/39/34/190663934.db2.gz DOWKAJSDYXFDST-UHFFFAOYSA-N 1 0 314.227 2.095 50 0 DEAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2nc(C)no2)cn1 ZINC000083843429 539390290 /nfs/dbraw/zinc/39/02/90/539390290.db2.gz MGPGHSSQHNVGGB-VHRBIJSZSA-N 1 0 305.382 2.023 50 0 DEAARO CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000083721633 539390884 /nfs/dbraw/zinc/39/08/84/539390884.db2.gz VIZKXQUTBQXRLX-HOTGVXAUSA-N 1 0 311.470 2.175 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000084597489 539396188 /nfs/dbraw/zinc/39/61/88/539396188.db2.gz KADANQGNGMSPQE-OAHLLOKOSA-N 1 0 311.470 2.412 50 0 DEAARO CC[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 ZINC000084718745 539397915 /nfs/dbraw/zinc/39/79/15/539397915.db2.gz ROVCGQJFOOAQSK-QWHCGFSZSA-N 1 0 317.393 2.064 50 0 DEAARO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000083973251 192393415 /nfs/dbraw/zinc/39/34/15/192393415.db2.gz WSSLODVWLBAHSB-RYQLBKOJSA-N 1 0 314.429 2.495 50 0 DEAARO CO[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC[C@H]1[NH3+] ZINC000071712153 191010910 /nfs/dbraw/zinc/01/09/10/191010910.db2.gz WMZJQMNLTAATEZ-CABCVRRESA-N 1 0 322.836 2.336 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCC[N@@H+]1CC1CC1 ZINC000071751476 191022849 /nfs/dbraw/zinc/02/28/49/191022849.db2.gz JJEXLBZQKHHPON-INIZCTEOSA-N 1 0 302.422 2.059 50 0 DEAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@H]([NH3+])CC1 ZINC000072161821 191062438 /nfs/dbraw/zinc/06/24/38/191062438.db2.gz PBQQISDSGNXBSS-LBPRGKRZSA-N 1 0 303.381 2.498 50 0 DEAARO Cc1cnc(CNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)cn1 ZINC000072174160 191071020 /nfs/dbraw/zinc/07/10/20/191071020.db2.gz KXPDVVCGUVCJKA-UHFFFAOYSA-N 1 0 324.428 2.257 50 0 DEAARO Cn1ccnc1-c1nccn1CC[N@H+](C)CCc1ccccc1 ZINC000072161881 191062041 /nfs/dbraw/zinc/06/20/41/191062041.db2.gz MMRUAUOJUCTKDP-UHFFFAOYSA-N 1 0 309.417 2.458 50 0 DEAARO C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000072304010 191116555 /nfs/dbraw/zinc/11/65/55/191116555.db2.gz KNESUNAQRKVRGR-OAHLLOKOSA-N 1 0 319.424 2.349 50 0 DEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421844 191158307 /nfs/dbraw/zinc/15/83/07/191158307.db2.gz OGOOFRSFJUGGDR-MRXNPFEDSA-N 1 0 304.434 2.166 50 0 DEAARO CCc1cc(N2CC[NH2+][C@H](c3ccccc3)C2)n2nccc2n1 ZINC000072425978 191159644 /nfs/dbraw/zinc/15/96/44/191159644.db2.gz PGPPTRJLLWJMSL-INIZCTEOSA-N 1 0 307.401 2.443 50 0 DEAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000072430303 191163414 /nfs/dbraw/zinc/16/34/14/191163414.db2.gz VPYUWIJCTSIKKV-SNVBAGLBSA-N 1 0 318.343 2.375 50 0 DEAARO C[NH+](C)C1(CNC(=O)[C@H]2COc3ccccc3O2)CCCCC1 ZINC000003415423 181016913 /nfs/dbraw/zinc/01/69/13/181016913.db2.gz YDHWELICILYQRW-MRXNPFEDSA-N 1 0 318.417 2.207 50 0 DEAARO O=S1(=O)C[C@H]([NH2+]Cc2ccccc2)[C@H](Nc2ccccc2)C1 ZINC000004058405 181067882 /nfs/dbraw/zinc/06/78/82/181067882.db2.gz QSGJWXJYQPHOAM-DLBZAZTESA-N 1 0 316.426 2.054 50 0 DEAARO CCc1nc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000069803614 354877791 /nfs/dbraw/zinc/87/77/91/354877791.db2.gz NKCKLDFLQBUJKA-CQSZACIVSA-N 1 0 309.479 2.250 50 0 DEAARO O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccncc1F ZINC000618256980 363432572 /nfs/dbraw/zinc/43/25/72/363432572.db2.gz NNVHEUDXTUMAHI-GFCCVEGCSA-N 1 0 305.378 2.287 50 0 DEAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCC(N)=O ZINC000004850876 181162472 /nfs/dbraw/zinc/16/24/72/181162472.db2.gz KBSKYAWDGIECMD-CYBMUJFWSA-N 1 0 314.385 2.410 50 0 DEAARO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C(N)=O)ccc1C ZINC000075107879 355069022 /nfs/dbraw/zinc/06/90/22/355069022.db2.gz QPFJVWJJLVZTLR-AWEZNQCLSA-N 1 0 318.421 2.090 50 0 DEAARO CC(=O)Nc1cccc2c1CC[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000076020918 355119679 /nfs/dbraw/zinc/11/96/79/355119679.db2.gz IJSQHTYHPLKSQT-INIZCTEOSA-N 1 0 318.417 2.199 50 0 DEAARO C[C@@H]1CN([C@@H](C[NH2+]Cc2nccn2C)c2cccs2)CCO1 ZINC000075603921 355096012 /nfs/dbraw/zinc/09/60/12/355096012.db2.gz NCTSQKRVHZWQOO-KGLIPLIRSA-N 1 0 320.462 2.033 50 0 DEAARO CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000076709440 355164342 /nfs/dbraw/zinc/16/43/42/355164342.db2.gz BUCLJZLZFVTLNG-OAHLLOKOSA-N 1 0 323.824 2.269 50 0 DEAARO CN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862225 191375294 /nfs/dbraw/zinc/37/52/94/191375294.db2.gz QQZUXNXRAZJYRC-KRWDZBQOSA-N 1 0 316.449 2.488 50 0 DEAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000078880275 355282244 /nfs/dbraw/zinc/28/22/44/355282244.db2.gz AVHDQNJCRGGLDN-NVXWUHKLSA-N 1 0 300.406 2.299 50 0 DEAARO C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523633 283101458 /nfs/dbraw/zinc/10/14/58/283101458.db2.gz LXPCWYRUDZWTGZ-IEBWSBKVSA-N 1 0 313.445 2.210 50 0 DEAARO CC(=O)N1CCN([C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C)CC1 ZINC000084714509 355485412 /nfs/dbraw/zinc/48/54/12/355485412.db2.gz AFSPOYJAGZQRRW-YJBOKZPZSA-N 1 0 307.482 2.051 50 0 DEAARO COc1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000077176309 191668273 /nfs/dbraw/zinc/66/82/73/191668273.db2.gz HXWQYOYFWRCRDR-UHFFFAOYSA-N 1 0 304.434 2.239 50 0 DEAARO CC(C)[NH+](CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@@H]21)C(C)C ZINC000096028183 355698158 /nfs/dbraw/zinc/69/81/58/355698158.db2.gz VATWEOXMKVVWJE-CVEARBPZSA-N 1 0 323.481 2.013 50 0 DEAARO Cc1nn(C)cc1C[NH2+][C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000096000240 355698180 /nfs/dbraw/zinc/69/81/80/355698180.db2.gz VMKPMFDQLLTKFE-INIZCTEOSA-N 1 0 322.416 2.092 50 0 DEAARO COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000093297909 355674674 /nfs/dbraw/zinc/67/46/74/355674674.db2.gz AVWATIYMJLEOGU-GJZGRUSLSA-N 1 0 318.417 2.124 50 0 DEAARO O=S1(=O)CCCN1CC[NH2+]Cc1csc2ccccc12 ZINC000105473546 355720658 /nfs/dbraw/zinc/72/06/58/355720658.db2.gz AAXAKINKQQJVLU-UHFFFAOYSA-N 1 0 310.444 2.026 50 0 DEAARO C[N@H+](CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1 ZINC000110698640 355745099 /nfs/dbraw/zinc/74/50/99/355745099.db2.gz YTCKKLZVFPMMKY-KBPBESRZSA-N 1 0 320.458 2.106 50 0 DEAARO C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129678520 355836081 /nfs/dbraw/zinc/83/60/81/355836081.db2.gz NTINXDJBAPXIJE-KGLIPLIRSA-N 1 0 323.412 2.186 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)c2cccs2)CC1 ZINC000169751749 355981110 /nfs/dbraw/zinc/98/11/10/355981110.db2.gz QVCCUYIGJRUYCQ-ZDUSSCGKSA-N 1 0 308.447 2.321 50 0 DEAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000193128387 356223482 /nfs/dbraw/zinc/22/34/82/356223482.db2.gz IKMYKZAUNSDDLS-TZMCWYRMSA-N 1 0 302.484 2.072 50 0 DEAARO COc1ccc(CCC[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000195573285 356258761 /nfs/dbraw/zinc/25/87/61/356258761.db2.gz PJGJHRPPXXHREX-CQSZACIVSA-N 1 0 318.396 2.271 50 0 DEAARO CC(C)(C)[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(N)=O ZINC000195573570 356258959 /nfs/dbraw/zinc/25/89/59/356258959.db2.gz FJQUNOGDWIRFFP-AWEZNQCLSA-N 1 0 304.369 2.001 50 0 DEAARO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1OC(F)F ZINC000585086047 540255726 /nfs/dbraw/zinc/25/57/26/540255726.db2.gz BUFMDGXVWSKFKO-CYBMUJFWSA-N 1 0 312.360 2.383 50 0 DEAARO CCOc1ccc(CN(C)C[C@H]2CCCC[N@@H+]2C)cc1CO ZINC000584890217 357326716 /nfs/dbraw/zinc/32/67/16/357326716.db2.gz ODOCAXYUUSFNDU-QGZVFWFLSA-N 1 0 306.450 2.494 50 0 DEAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1c[nH]c(=O)[nH]1 ZINC000584893231 357328073 /nfs/dbraw/zinc/32/80/73/357328073.db2.gz XPRJJKYSDGJLBL-UHFFFAOYSA-N 1 0 306.410 2.034 50 0 DEAARO CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3c2CCC3=O)C1 ZINC000584903307 357331374 /nfs/dbraw/zinc/33/13/74/357331374.db2.gz RMUKGIWYXZKQMG-ZDUSSCGKSA-N 1 0 300.402 2.420 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 ZINC000179011661 198968474 /nfs/dbraw/zinc/96/84/74/198968474.db2.gz MVTNRLGYVYJQER-CYBMUJFWSA-N 1 0 306.406 2.164 50 0 DEAARO CNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000063308601 283365903 /nfs/dbraw/zinc/36/59/03/283365903.db2.gz BQPPBOVWVQYVIZ-ZFWWWQNUSA-N 1 0 303.406 2.305 50 0 DEAARO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1OC ZINC000237436193 202264921 /nfs/dbraw/zinc/26/49/21/202264921.db2.gz GLAHAMKSUKIXJA-ZFWWWQNUSA-N 1 0 304.434 2.461 50 0 DEAARO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000187018481 200047806 /nfs/dbraw/zinc/04/78/06/200047806.db2.gz LDZLQJADWYLQMH-OAHLLOKOSA-N 1 0 301.434 2.452 50 0 DEAARO Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000237636045 202312114 /nfs/dbraw/zinc/31/21/14/202312114.db2.gz SZGZBWMVFQKNDG-GXTWGEPZSA-N 1 0 319.430 2.044 50 0 DEAARO Cc1ccccc1C1(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000237692678 202329504 /nfs/dbraw/zinc/32/95/04/202329504.db2.gz QCCPPUOAZNBNAM-NVXWUHKLSA-N 1 0 316.445 2.287 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000237921204 202391604 /nfs/dbraw/zinc/39/16/04/202391604.db2.gz USRPDOSZARZJHD-CYZMBNFOSA-N 1 0 317.216 2.270 50 0 DEAARO CCOC(=O)c1cnc2ccccc2c1NCCC[NH+](C)C ZINC000005958591 181300491 /nfs/dbraw/zinc/30/04/91/181300491.db2.gz ITZRBOCLNMKQQP-UHFFFAOYSA-N 1 0 301.390 2.197 50 0 DEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Cn2cccc2)C1 ZINC000670442280 540933798 /nfs/dbraw/zinc/93/37/98/540933798.db2.gz RVWWHJODHAIPGX-KRWDZBQOSA-N 1 0 311.429 2.402 50 0 DEAARO COc1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000606441079 361008184 /nfs/dbraw/zinc/00/81/84/361008184.db2.gz FPMIBDXTNDVWSQ-OLSJYMTNSA-N 1 0 306.381 2.433 50 0 DEAARO COc1coc(C[N@H+](C)CCCc2c(C)n[nH]c2C)cc1=O ZINC000670468585 540938406 /nfs/dbraw/zinc/93/84/06/540938406.db2.gz QAZHISFOQGYOIA-UHFFFAOYSA-N 1 0 305.378 2.053 50 0 DEAARO COCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000292581264 223159168 /nfs/dbraw/zinc/15/91/68/223159168.db2.gz AADADYARXMOHCJ-UHFFFAOYSA-N 1 0 302.418 2.148 50 0 DEAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000095972597 283638677 /nfs/dbraw/zinc/63/86/77/283638677.db2.gz IDALLBWZIZKRDW-AWEZNQCLSA-N 1 0 302.399 2.075 50 0 DEAARO CC[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000006626780 181362139 /nfs/dbraw/zinc/36/21/39/181362139.db2.gz FHSOQWBPQITTJV-HOTGVXAUSA-N 1 0 309.450 2.393 50 0 DEAARO C[C@@H]1CCC[N@H+](CCCNc2c(=O)c(=O)c2-c2ccccc2)C1 ZINC000006749169 181382462 /nfs/dbraw/zinc/38/24/62/181382462.db2.gz WRVQROGFYRHGGN-CQSZACIVSA-N 1 0 312.413 2.484 50 0 DEAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)o1 ZINC000091475037 193061624 /nfs/dbraw/zinc/06/16/24/193061624.db2.gz KBCDTMHMTRHFOS-HUUCEWRRSA-N 1 0 303.406 2.238 50 0 DEAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091494568 193064190 /nfs/dbraw/zinc/06/41/90/193064190.db2.gz XQXZYSIVXVCGJE-SFHVURJKSA-N 1 0 322.449 2.318 50 0 DEAARO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000091496892 193064509 /nfs/dbraw/zinc/06/45/09/193064509.db2.gz PSUSVKLYDMHRGI-KOLCDFICSA-N 1 0 322.352 2.124 50 0 DEAARO CCc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000091820284 193112085 /nfs/dbraw/zinc/11/20/85/193112085.db2.gz VWTRFCLAMFNEIH-HZPDHXFCSA-N 1 0 306.450 2.368 50 0 DEAARO C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091915079 193126123 /nfs/dbraw/zinc/12/61/23/193126123.db2.gz VTCFNMKMIWAVLF-MRXNPFEDSA-N 1 0 316.445 2.272 50 0 DEAARO Cc1nc2ccsc2c(N2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000091965469 193134253 /nfs/dbraw/zinc/13/42/53/193134253.db2.gz UFRLLMKAKOFWTR-INIZCTEOSA-N 1 0 320.462 2.283 50 0 DEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCC(=O)c1ccccc1)C2 ZINC000092077972 193153345 /nfs/dbraw/zinc/15/33/45/193153345.db2.gz LQZZCZCJBSEHEH-GOEBONIOSA-N 1 0 300.402 2.202 50 0 DEAARO COc1ccc(C2(C(=O)N3C[C@H]([NH3+])[C@@H](C(C)C)C3)CC2)cc1 ZINC000092061765 193150954 /nfs/dbraw/zinc/15/09/54/193150954.db2.gz INIQWMVKHBDZAY-CVEARBPZSA-N 1 0 302.418 2.169 50 0 DEAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)c3ccc[nH]3)C2)CC1 ZINC000253425883 202883314 /nfs/dbraw/zinc/88/33/14/202883314.db2.gz WFMWAXYCRXUVLY-OAHLLOKOSA-N 1 0 317.433 2.168 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)C1 ZINC000096439330 193644881 /nfs/dbraw/zinc/64/48/81/193644881.db2.gz BHKGLOWGNHMNOH-GDBMZVCRSA-N 1 0 321.469 2.014 50 0 DEAARO Cc1ccc(CCC(=O)N2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000012712372 181790098 /nfs/dbraw/zinc/79/00/98/181790098.db2.gz GTUCUVZLWXYHAK-QGZVFWFLSA-N 1 0 304.434 2.107 50 0 DEAARO Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019338583 182116717 /nfs/dbraw/zinc/11/67/17/182116717.db2.gz GOOLDPOQIIYJPL-MRXNPFEDSA-N 1 0 306.450 2.106 50 0 DEAARO CCOc1c(Cl)cc(Cl)cc1CNCC[NH2+]CCO ZINC000019370680 182120076 /nfs/dbraw/zinc/12/00/76/182120076.db2.gz MNVFUIZSSLMYRD-UHFFFAOYSA-N 1 0 307.221 2.064 50 0 DEAARO COc1c(Cl)cc(Cl)cc1CNCC[NH2+]C[C@H](C)O ZINC000019370675 182120154 /nfs/dbraw/zinc/12/01/54/182120154.db2.gz FAAJNOFFIPXHSB-VIFPVBQESA-N 1 0 307.221 2.062 50 0 DEAARO COc1ccc(CN(C)CC[NH+](C)C)cc1Br ZINC000019606483 182133020 /nfs/dbraw/zinc/13/30/20/182133020.db2.gz PCTMMKWTHIWNJB-UHFFFAOYSA-N 1 0 301.228 2.451 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccccc2C(C)(C)C)CC1 ZINC000019781834 182148597 /nfs/dbraw/zinc/14/85/97/182148597.db2.gz NGOLXSAIGKFCNF-MRXNPFEDSA-N 1 0 320.477 2.361 50 0 DEAARO COc1ccc(CN2CC[N@@H+](C(C)C)C[C@@H]2CCO)cc1C ZINC000019792911 182150116 /nfs/dbraw/zinc/15/01/16/182150116.db2.gz AJHSBYVYXWSFTC-KRWDZBQOSA-N 1 0 306.450 2.281 50 0 DEAARO O=C1C[C@H]([NH2+]CCc2cccc(F)c2)C(=O)N1c1ccccc1 ZINC000019889549 182160823 /nfs/dbraw/zinc/16/08/23/182160823.db2.gz GKIIZNONGTZYMS-INIZCTEOSA-N 1 0 312.344 2.290 50 0 DEAARO CCC[NH+]1CCN(CCNC(=O)Nc2ccccc2Cl)CC1 ZINC000020154031 182192979 /nfs/dbraw/zinc/19/29/79/182192979.db2.gz OQFHDSLCTHDMGO-UHFFFAOYSA-N 1 0 324.856 2.489 50 0 DEAARO CC[NH+]1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020153934 182193372 /nfs/dbraw/zinc/19/33/72/182193372.db2.gz GCGXIZHUQSGISB-UHFFFAOYSA-N 1 0 310.829 2.099 50 0 DEAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccccc1Br ZINC000020055640 182184810 /nfs/dbraw/zinc/18/48/10/182184810.db2.gz JEFLAPBSFOFYON-JTQLQIEISA-N 1 0 313.195 2.156 50 0 DEAARO FC(F)(F)c1cccc(-c2noc(CN3CC[NH2+]CC3)n2)c1 ZINC000020280638 182202952 /nfs/dbraw/zinc/20/29/52/182202952.db2.gz KMGMZEJFRXZZCO-UHFFFAOYSA-N 1 0 312.295 2.161 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC000020453762 182219638 /nfs/dbraw/zinc/21/96/38/182219638.db2.gz PTZLIPHJOAEPOT-NSHDSACASA-N 1 0 314.788 2.177 50 0 DEAARO Fc1cccc(C[C@@H]2C[N@H+](CCCn3cccn3)CCO2)c1 ZINC000020540732 182228875 /nfs/dbraw/zinc/22/88/75/182228875.db2.gz FTSSKMMHVCTYDI-QGZVFWFLSA-N 1 0 303.381 2.356 50 0 DEAARO Cc1ccc(-c2noc(CCN3CC[NH+](C)CC3)n2)cc1C ZINC000020599107 182236305 /nfs/dbraw/zinc/23/63/05/182236305.db2.gz YKPLOJIKROFPGF-UHFFFAOYSA-N 1 0 300.406 2.143 50 0 DEAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC000020608746 182237895 /nfs/dbraw/zinc/23/78/95/182237895.db2.gz HVEAWPJDXZEWBB-CYBMUJFWSA-N 1 0 306.406 2.063 50 0 DEAARO COc1ccccc1CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020777598 182246960 /nfs/dbraw/zinc/24/69/60/182246960.db2.gz KNNNEBNQQZOTHZ-KRWDZBQOSA-N 1 0 306.450 2.220 50 0 DEAARO CCCc1cn(C[C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC000020868552 182250884 /nfs/dbraw/zinc/25/08/84/182250884.db2.gz CPIUFHFMBFEJIO-HNNXBMFYSA-N 1 0 314.437 2.241 50 0 DEAARO CCc1ccc2c(CN3CC[NH+](CC)CC3)cc(=O)oc2c1 ZINC000022037515 182305353 /nfs/dbraw/zinc/30/53/53/182305353.db2.gz JQYAPRMMRAUUDW-UHFFFAOYSA-N 1 0 300.402 2.493 50 0 DEAARO COc1cccc(OCC(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000023014071 182344758 /nfs/dbraw/zinc/34/47/58/182344758.db2.gz IJVHTUAUGHSBOJ-UHFFFAOYSA-N 1 0 320.433 2.311 50 0 DEAARO [NH3+]CCN[C@H](c1ccc(Br)cc1)c1ccccn1 ZINC000022917550 182341010 /nfs/dbraw/zinc/34/10/10/182341010.db2.gz NSWJPPGTILAHPP-CQSZACIVSA-N 1 0 306.207 2.482 50 0 DEAARO CCOc1cc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)ccc1O ZINC000023153308 182351883 /nfs/dbraw/zinc/35/18/83/182351883.db2.gz KRASYLKJDHSMGZ-INIZCTEOSA-N 1 0 322.449 2.068 50 0 DEAARO COCc1cn(CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)nn1 ZINC000023339654 182357167 /nfs/dbraw/zinc/35/71/67/182357167.db2.gz NULVJTGHTDNJKO-OAHLLOKOSA-N 1 0 304.438 2.493 50 0 DEAARO COCc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)o1 ZINC000039557657 183020079 /nfs/dbraw/zinc/02/00/79/183020079.db2.gz WGSNNVSSUZZIRU-MRXNPFEDSA-N 1 0 322.449 2.237 50 0 DEAARO C[NH+](C)CC(C)(C)CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000040480028 183076913 /nfs/dbraw/zinc/07/69/13/183076913.db2.gz XIBNRWFAYXXFQI-UHFFFAOYSA-N 1 0 316.331 2.143 50 0 DEAARO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c2ccccc12 ZINC000042186746 183239223 /nfs/dbraw/zinc/23/92/23/183239223.db2.gz HTPLCLVXCKJPJR-ZDUSSCGKSA-N 1 0 305.399 2.125 50 0 DEAARO CNC(=O)c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000042902596 183317322 /nfs/dbraw/zinc/31/73/22/183317322.db2.gz WVEPXBOVCHBXOU-UHFFFAOYSA-N 1 0 321.384 2.121 50 0 DEAARO NC(=O)C1(NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000044127121 183395686 /nfs/dbraw/zinc/39/56/86/183395686.db2.gz BAQWWBUBJYZLMV-UHFFFAOYSA-N 1 0 323.440 2.296 50 0 DEAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccon2)C[C@H]1CCO ZINC000104357933 194001366 /nfs/dbraw/zinc/00/13/66/194001366.db2.gz IFUSIFUGKJCGRF-GOSISDBHSA-N 1 0 315.417 2.052 50 0 DEAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc[n+]1[O-] ZINC000047295567 183586357 /nfs/dbraw/zinc/58/63/57/183586357.db2.gz RVFXSQATPMCFPG-UHFFFAOYSA-N 1 0 317.433 2.239 50 0 DEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2ccnc2)C1 ZINC000106135167 194186553 /nfs/dbraw/zinc/18/65/53/194186553.db2.gz IRGAOAOQQCTCGN-VYDXJSESSA-N 1 0 312.417 2.396 50 0 DEAARO Cc1ccc(NC(=O)CC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000055413265 183986168 /nfs/dbraw/zinc/98/61/68/183986168.db2.gz WVTDZRVDINCMOS-UHFFFAOYSA-N 1 0 317.433 2.268 50 0 DEAARO COc1c(C[NH2+]C[C@H](c2ccc(F)cc2)N(C)C)c(C)nn1C ZINC000058344980 184107099 /nfs/dbraw/zinc/10/70/99/184107099.db2.gz JKPUYVDXEJUSAN-MRXNPFEDSA-N 1 0 320.412 2.269 50 0 DEAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058250816 184095353 /nfs/dbraw/zinc/09/53/53/184095353.db2.gz ANIGHRGJFVSOIG-KRWDZBQOSA-N 1 0 312.417 2.419 50 0 DEAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000058292615 184101251 /nfs/dbraw/zinc/10/12/51/184101251.db2.gz JNBIKTARSZSGMB-ZDUSSCGKSA-N 1 0 304.438 2.047 50 0 DEAARO Cc1noc2ncc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc12 ZINC000058393756 184112558 /nfs/dbraw/zinc/11/25/58/184112558.db2.gz DSNAQNLHXLIXIO-LBPRGKRZSA-N 1 0 316.405 2.381 50 0 DEAARO O=S1(=O)CC[C@@H]([NH2+]CCc2nccs2)c2ccccc21 ZINC000063133788 184272801 /nfs/dbraw/zinc/27/28/01/184272801.db2.gz VAQORINXNOQNCP-GFCCVEGCSA-N 1 0 308.428 2.194 50 0 DEAARO Cn1cc(C2=CC[N@H+](CCC(=O)NC3CCCCC3)CC2)cn1 ZINC000065386011 184333190 /nfs/dbraw/zinc/33/31/90/184333190.db2.gz RERLNSRZFVBTOR-UHFFFAOYSA-N 1 0 316.449 2.348 50 0 DEAARO O=C(C[NH2+]CCCc1ccccc1O)NCc1ccccc1F ZINC000065373454 184330904 /nfs/dbraw/zinc/33/09/04/184330904.db2.gz DIFFCNXHAIHWBP-UHFFFAOYSA-N 1 0 316.376 2.370 50 0 DEAARO C[C@H](Cn1ccc2ccccc21)[NH2+]CC(=O)Nc1cnccn1 ZINC000065409398 184340203 /nfs/dbraw/zinc/34/02/03/184340203.db2.gz ADZBUEJSOQECJE-CYBMUJFWSA-N 1 0 309.373 2.048 50 0 DEAARO CC(C)Cc1nc(CN(C)C(=O)C[NH+]2CCCCCC2)no1 ZINC000065424732 184342432 /nfs/dbraw/zinc/34/24/32/184342432.db2.gz RBCUULIPDSIFIV-UHFFFAOYSA-N 1 0 308.426 2.103 50 0 DEAARO Cc1nonc1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065457146 184347497 /nfs/dbraw/zinc/34/74/97/184347497.db2.gz LEVQKBWAGUTFQW-CQSZACIVSA-N 1 0 320.437 2.381 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC000066137377 184391692 /nfs/dbraw/zinc/39/16/92/184391692.db2.gz UWMXVTLZSQXQQR-LBPRGKRZSA-N 1 0 302.374 2.253 50 0 DEAARO COCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000110591954 285067537 /nfs/dbraw/zinc/06/75/37/285067537.db2.gz SJTSUSHOLRNMCO-JKSUJKDBSA-N 1 0 305.422 2.015 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000159071180 197324486 /nfs/dbraw/zinc/32/44/86/197324486.db2.gz YZVUVJJSZWNNMR-PBHICJAKSA-N 1 0 302.418 2.149 50 0 DEAARO C[C@@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)CC[NH2+]1 ZINC000155036272 197016481 /nfs/dbraw/zinc/01/64/81/197016481.db2.gz HZUMOTFUSAVNLE-LLVKDONJSA-N 1 0 319.792 2.087 50 0 DEAARO Cc1cc(C)n(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000504269211 257148159 /nfs/dbraw/zinc/14/81/59/257148159.db2.gz HSTGXFJSNGQSBN-IRXDYDNUSA-N 1 0 318.465 2.271 50 0 DEAARO CCCNC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095380262 257271955 /nfs/dbraw/zinc/27/19/55/257271955.db2.gz CLEVNKGBENOZDP-OAHLLOKOSA-N 1 0 321.469 2.134 50 0 DEAARO CCO[C@H](C)c1nc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cs1 ZINC000236919268 257239315 /nfs/dbraw/zinc/23/93/15/257239315.db2.gz WWUWCHVYETYWDF-TUAOUCFPSA-N 1 0 311.451 2.121 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237393619 257239663 /nfs/dbraw/zinc/23/96/63/257239663.db2.gz VKVIJCKVHYZXQT-ZYHUDNBSSA-N 1 0 316.323 2.422 50 0 DEAARO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000521394647 257240697 /nfs/dbraw/zinc/24/06/97/257240697.db2.gz SQCGNJBWTGJDHC-SWLSCSKDSA-N 1 0 306.454 2.037 50 0 DEAARO CC1(C)CC(NC(=O)N[C@@H](CO)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000071922606 184906740 /nfs/dbraw/zinc/90/67/40/184906740.db2.gz GSHFPFQFHPJLLW-HNNXBMFYSA-N 1 0 319.449 2.328 50 0 DEAARO C/C(=C\c1ccccc1)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000071924560 184907784 /nfs/dbraw/zinc/90/77/84/184907784.db2.gz AYICCZDBJLHLER-NTCAYCPXSA-N 1 0 322.474 2.351 50 0 DEAARO Cc1csc([C@H](NC(=O)NCC[N@@H+](C)C2CC2)C2CC2)n1 ZINC000074200666 184965045 /nfs/dbraw/zinc/96/50/45/184965045.db2.gz DGWZUEWPIDOYRY-CYBMUJFWSA-N 1 0 308.451 2.296 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131743549 297408223 /nfs/dbraw/zinc/40/82/23/297408223.db2.gz JYUQYJAKBCUQAH-RKDXNWHRSA-N 1 0 323.245 2.494 50 0 DEAARO O=C(NC[C@H]1CC=CCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132820865 144770153 /nfs/dbraw/zinc/77/01/53/144770153.db2.gz NDKZHQOXOOTAFH-JKSUJKDBSA-N 1 0 321.465 2.143 50 0 DEAARO COc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003214794 401722450 /nfs/dbraw/zinc/72/24/50/401722450.db2.gz VSODIIZFGZLSEC-QGZVFWFLSA-N 1 0 313.397 2.493 50 0 DEAARO CN1C[C@H](CCCC[NH+]2CCN(c3ccccc3)CC2)OC1=O ZINC000003806016 401724616 /nfs/dbraw/zinc/72/46/16/401724616.db2.gz YMGFZHCYOFMGSV-KRWDZBQOSA-N 1 0 317.433 2.430 50 0 DEAARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(C)c1O ZINC000007126897 401736984 /nfs/dbraw/zinc/73/69/84/401736984.db2.gz VIQYGINTYVRMEY-HNNXBMFYSA-N 1 0 307.357 2.455 50 0 DEAARO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000007780750 401744037 /nfs/dbraw/zinc/74/40/37/401744037.db2.gz NPPKNXPTBJIZTD-OAHLLOKOSA-N 1 0 317.433 2.266 50 0 DEAARO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12 ZINC000000000100 401687334 /nfs/dbraw/zinc/68/73/34/401687334.db2.gz CIJVBYRUFLGDHY-GFCCVEGCSA-N 1 0 305.374 2.229 50 0 in-man DEAARO COc1ccc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)cc1F ZINC000071859832 401688857 /nfs/dbraw/zinc/68/88/57/401688857.db2.gz KCCGFHCLDCKNCG-AWEZNQCLSA-N 1 0 316.380 2.383 50 0 DEAARO COc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000071875672 401690516 /nfs/dbraw/zinc/69/05/16/401690516.db2.gz VNHZAVGTWWHQEM-NVXWUHKLSA-N 1 0 301.390 2.090 50 0 DEAARO O=C(COC[C@H]1CCCO1)Nc1ccccc1C[NH+]1CCCC1 ZINC000071904432 401694816 /nfs/dbraw/zinc/69/48/16/401694816.db2.gz HBVRRPMFRNECHL-MRXNPFEDSA-N 1 0 318.417 2.417 50 0 DEAARO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000071915441 401696828 /nfs/dbraw/zinc/69/68/28/401696828.db2.gz VEOBZIVKOCZKQQ-OAHLLOKOSA-N 1 0 320.433 2.045 50 0 DEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccs3)C2=O)cc1 ZINC000000520629 401700233 /nfs/dbraw/zinc/70/02/33/401700233.db2.gz DMHJRRXEDGRYAG-AWEZNQCLSA-N 1 0 316.382 2.178 50 0 DEAARO CC1CC[NH+](CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000000552329 401701128 /nfs/dbraw/zinc/70/11/28/401701128.db2.gz CWIBQEWTGXOKHK-UHFFFAOYSA-N 1 0 301.434 2.067 50 0 DEAARO CCOC(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000000609109 401701765 /nfs/dbraw/zinc/70/17/65/401701765.db2.gz QKQPMWUIIWGUSG-UHFFFAOYSA-N 1 0 305.378 2.079 50 0 DEAARO COc1nc(C)ccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000072294948 401707384 /nfs/dbraw/zinc/70/73/84/401707384.db2.gz CHCZOZDRONUKQN-UHFFFAOYSA-N 1 0 313.401 2.390 50 0 DEAARO C[NH+]1CCC(CCO)(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000072314088 401709246 /nfs/dbraw/zinc/70/92/46/401709246.db2.gz WDRXSSMOBSYYSK-UHFFFAOYSA-N 1 0 311.813 2.308 50 0 DEAARO O=C(CCCn1cncn1)N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000072410836 401709933 /nfs/dbraw/zinc/70/99/33/401709933.db2.gz GONFKHCCOXOZIN-CVEARBPZSA-N 1 0 319.453 2.018 50 0 DEAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000002692797 401716697 /nfs/dbraw/zinc/71/66/97/401716697.db2.gz JLSIZYMNGQWRJQ-MJBXVCDLSA-N 1 0 307.390 2.418 50 0 DEAARO COc1cc(OC)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000002800379 401718440 /nfs/dbraw/zinc/71/84/40/401718440.db2.gz YPBJWCKHCCMYSH-AGUYFDCRSA-N 1 0 304.390 2.059 50 0 DEAARO C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717752 401803189 /nfs/dbraw/zinc/80/31/89/401803189.db2.gz MXOMQABIZWCYKZ-UHFFFAOYSA-N 1 0 311.345 2.183 50 0 DEAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)NCc1cccnc1 ZINC000075137024 401751807 /nfs/dbraw/zinc/75/18/07/401751807.db2.gz AUEYMVLBMJKYGS-SFHVURJKSA-N 1 0 309.413 2.405 50 0 DEAARO CC1CCC([N@H+](C)CC(=O)Nc2sccc2C(N)=O)CC1 ZINC000008923787 401757790 /nfs/dbraw/zinc/75/77/90/401757790.db2.gz FVXZJZBOSGMCFD-UHFFFAOYSA-N 1 0 309.435 2.296 50 0 DEAARO C[N@H+](Cc1[nH]nc2c1CCCC2)[C@H]1CCOC2(CCOCC2)C1 ZINC000077302154 401809510 /nfs/dbraw/zinc/80/95/10/401809510.db2.gz GXCCRFSCFKLIQS-AWEZNQCLSA-N 1 0 319.449 2.449 50 0 DEAARO C[C@H](CNC(=O)NCc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000075610430 401764108 /nfs/dbraw/zinc/76/41/08/401764108.db2.gz PJBLPCNMRVEXPE-OAHLLOKOSA-N 1 0 312.417 2.401 50 0 DEAARO CCN1CC2(CC[NH+](CC[C@H](O)c3ccccc3)CC2)OC1=O ZINC000077303032 401809809 /nfs/dbraw/zinc/80/98/09/401809809.db2.gz MABIEDXBIWLZNO-INIZCTEOSA-N 1 0 318.417 2.417 50 0 DEAARO CC1CC[NH+](CCCNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000010540675 401770954 /nfs/dbraw/zinc/77/09/54/401770954.db2.gz OKQZWWNMYWURNZ-KRWDZBQOSA-N 1 0 318.417 2.065 50 0 DEAARO COCC(=O)N(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011815070 401777035 /nfs/dbraw/zinc/77/70/35/401777035.db2.gz LJTHRFDUWGJNJW-KRWDZBQOSA-N 1 0 304.434 2.188 50 0 DEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccn3)cc2)CC1 ZINC000011946088 401778044 /nfs/dbraw/zinc/77/80/44/401778044.db2.gz SHZAZOJYDVNCJC-UHFFFAOYSA-N 1 0 310.401 2.476 50 0 DEAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000076070240 401780216 /nfs/dbraw/zinc/78/02/16/401780216.db2.gz DPZXGNHMFPOOJI-STQMWFEESA-N 1 0 310.467 2.273 50 0 DEAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccnc2)C1 ZINC000076067774 401780318 /nfs/dbraw/zinc/78/03/18/401780318.db2.gz CIETUICBKGCLBI-CABCVRRESA-N 1 0 307.463 2.304 50 0 DEAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000012383484 401784489 /nfs/dbraw/zinc/78/44/89/401784489.db2.gz YIGWOBUWZYNPIA-INIZCTEOSA-N 1 0 316.445 2.361 50 0 DEAARO Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012441363 401785707 /nfs/dbraw/zinc/78/57/07/401785707.db2.gz ZYILIEXGIDMFCG-UHFFFAOYSA-N 1 0 317.433 2.170 50 0 DEAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012441436 401785903 /nfs/dbraw/zinc/78/59/03/401785903.db2.gz PIVSLLMEKQGBFG-UHFFFAOYSA-N 1 0 310.463 2.394 50 0 DEAARO C[N@H+](CCNC(=O)[C@@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015786136 401818442 /nfs/dbraw/zinc/81/84/42/401818442.db2.gz IJJNHQPEKMFIFL-SFHVURJKSA-N 1 0 324.424 2.486 50 0 DEAARO C[NH2+]CC(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000077521332 401818643 /nfs/dbraw/zinc/81/86/43/401818643.db2.gz LQMJXWJFFGAVPB-UHFFFAOYSA-N 1 0 312.417 2.311 50 0 DEAARO C/C=C(\C)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OCC)CC2)C1 ZINC000020995832 401824798 /nfs/dbraw/zinc/82/47/98/401824798.db2.gz LRXMVVXBTZSRTO-UDCCBSLUSA-N 1 0 309.454 2.191 50 0 DEAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020725483 401824918 /nfs/dbraw/zinc/82/49/18/401824918.db2.gz KESLDBVQJWXDGV-INIZCTEOSA-N 1 0 310.413 2.124 50 0 DEAARO CCc1nnsc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000028029292 401849442 /nfs/dbraw/zinc/84/94/42/401849442.db2.gz NWXNIAFYSSYTSX-UHFFFAOYSA-N 1 0 304.419 2.092 50 0 DEAARO Cc1ccc(-n2nnnc2NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000078471945 401852835 /nfs/dbraw/zinc/85/28/35/401852835.db2.gz YAXSFAPPIVHIBH-VHRNVKJDSA-N 1 0 312.421 2.398 50 0 DEAARO CN1CC[NH+](CCCSc2ncnc3ccccc32)CC1 ZINC000129931220 401812019 /nfs/dbraw/zinc/81/20/19/401812019.db2.gz HLLAJIXBAVBPCN-UHFFFAOYSA-N 1 0 302.447 2.359 50 0 DEAARO Cc1nc2sccn2c1C[NH2+]CCNC(=O)C1CCCCC1 ZINC000077403162 401814170 /nfs/dbraw/zinc/81/41/70/401814170.db2.gz NEAMPLFPZRWGOY-UHFFFAOYSA-N 1 0 320.462 2.490 50 0 DEAARO CC(=O)Nc1nc(C(=O)NC[C@H](C)[NH+]2CCCCCC2)cs1 ZINC000032348963 401878338 /nfs/dbraw/zinc/87/83/38/401878338.db2.gz OVDLWPUTFSGCSL-NSHDSACASA-N 1 0 324.450 2.096 50 0 DEAARO CC[NH+](CC)[C@H](CNc1ccc2nnnn2n1)c1ccccc1 ZINC000032871825 401885027 /nfs/dbraw/zinc/88/50/27/401885027.db2.gz OHANKRIBZDHUBB-CQSZACIVSA-N 1 0 311.393 2.014 50 0 DEAARO CCOC(=O)N1CCC([NH2+]C[C@](C)(O)c2ccc(C)o2)CC1 ZINC000089157136 401937637 /nfs/dbraw/zinc/93/76/37/401937637.db2.gz ITZFWXOWPXNBNR-INIZCTEOSA-N 1 0 310.394 2.006 50 0 DEAARO C[N@@H+]1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000032963981 401887347 /nfs/dbraw/zinc/88/73/47/401887347.db2.gz XNNGDGCEGNKRFR-KRWDZBQOSA-N 1 0 318.417 2.022 50 0 DEAARO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3c3ccccc3)C2=O)cn1 ZINC000133553105 401890531 /nfs/dbraw/zinc/89/05/31/401890531.db2.gz BXRDBLIVYVPQMK-KURKYZTESA-N 1 0 324.428 2.451 50 0 DEAARO CCC[C@H](O)C[N@H+](CCOC)Cc1cccc(OC)c1OC ZINC000036097114 401902699 /nfs/dbraw/zinc/90/26/99/401902699.db2.gz RFPKRONRUOATEV-HNNXBMFYSA-N 1 0 311.422 2.313 50 0 DEAARO Fc1ccc2nc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)oc2c1 ZINC000084459487 401905932 /nfs/dbraw/zinc/90/59/32/401905932.db2.gz ALPRDIFOLHECKK-CYBMUJFWSA-N 1 0 319.380 2.121 50 0 DEAARO OCc1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000086254452 401921898 /nfs/dbraw/zinc/92/18/98/401921898.db2.gz PZACWMSQWMYVTN-UHFFFAOYSA-N 1 0 316.401 2.341 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000043136474 401936969 /nfs/dbraw/zinc/93/69/69/401936969.db2.gz XZOFFMQPXFDDCG-CABCVRRESA-N 1 0 321.421 2.237 50 0 DEAARO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549330 401952033 /nfs/dbraw/zinc/95/20/33/401952033.db2.gz JRWACZMLBCDHRU-XKQJLSEDSA-N 1 0 324.852 2.480 50 0 DEAARO COc1ncccc1NC(=O)NCc1ccccc1C[NH+](C)C ZINC000048310325 401997975 /nfs/dbraw/zinc/99/79/75/401997975.db2.gz FARCHTQVJARSII-UHFFFAOYSA-N 1 0 314.389 2.474 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047226766 401980055 /nfs/dbraw/zinc/98/00/55/401980055.db2.gz AFEYZNKQSFRSFQ-HZPDHXFCSA-N 1 0 301.390 2.002 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000047226767 401980514 /nfs/dbraw/zinc/98/05/14/401980514.db2.gz AFEYZNKQSFRSFQ-JKSUJKDBSA-N 1 0 301.390 2.002 50 0 DEAARO CCc1nc(C)c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)s1 ZINC000090882208 401988049 /nfs/dbraw/zinc/98/80/49/401988049.db2.gz VOKDMGVQPSKNQE-JTQLQIEISA-N 1 0 316.492 2.489 50 0 DEAARO [NH3+]CCc1nc(C(=O)N[C@@H]2CCCc3ccccc32)cs1 ZINC000090947602 401989511 /nfs/dbraw/zinc/98/95/11/401989511.db2.gz IONCEQNERUVFFI-CYBMUJFWSA-N 1 0 301.415 2.452 50 0 DEAARO COC(=O)c1ccc([C@H](C)[NH+]2CCC(Cn3ccnn3)CC2)o1 ZINC000089264152 401940659 /nfs/dbraw/zinc/94/06/59/401940659.db2.gz HBJQYRPJIMGOEY-LBPRGKRZSA-N 1 0 318.377 2.131 50 0 DEAARO COc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000048264367 401996738 /nfs/dbraw/zinc/99/67/38/401996738.db2.gz PJQZPFZHNSLFOP-AWEZNQCLSA-N 1 0 304.394 2.182 50 0 DEAARO OC1CC[NH+](C2CCN(c3ncc(Cl)cc3F)CC2)CC1 ZINC000095370207 402029272 /nfs/dbraw/zinc/02/92/72/402029272.db2.gz QTOFDNXPGWLZBS-UHFFFAOYSA-N 1 0 313.804 2.300 50 0 DEAARO CC(=O)c1cnc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc1C ZINC000095372992 402029344 /nfs/dbraw/zinc/02/93/44/402029344.db2.gz GQGGKNFSUQZEAC-HZPDHXFCSA-N 1 0 314.433 2.298 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCn1cc(Cl)cn1 ZINC000095383823 402031144 /nfs/dbraw/zinc/03/11/44/402031144.db2.gz JRWWMTGEYKJMCL-CQSZACIVSA-N 1 0 312.845 2.307 50 0 DEAARO CCC[NH+]1CCC(CC(=O)N2CC(n3nc(C)cc3C)C2)CC1 ZINC000095383344 402031391 /nfs/dbraw/zinc/03/13/91/402031391.db2.gz RMBNRJLJPLWUDZ-UHFFFAOYSA-N 1 0 318.465 2.395 50 0 DEAARO Cn1cc([C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000095423303 402032676 /nfs/dbraw/zinc/03/26/76/402032676.db2.gz BCKMMLAXHHBIGE-JKSUJKDBSA-N 1 0 313.401 2.490 50 0 DEAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000095941180 402035217 /nfs/dbraw/zinc/03/52/17/402035217.db2.gz BPHYZSCNTMTGKZ-KBPBESRZSA-N 1 0 308.422 2.409 50 0 DEAARO Cc1nccn1CCCN(C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000095972459 402039214 /nfs/dbraw/zinc/03/92/14/402039214.db2.gz YWNSZPATWRJDAF-QLFBSQMISA-N 1 0 306.454 2.301 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000095982669 402041984 /nfs/dbraw/zinc/04/19/84/402041984.db2.gz DEXSYIVQVAQZQK-ZFWWWQNUSA-N 1 0 312.417 2.471 50 0 DEAARO Cc1cc(C(=O)Nc2ccc3c(c2)N(C)CC[N@H+](C)C3)on1 ZINC000095986352 402042874 /nfs/dbraw/zinc/04/28/74/402042874.db2.gz ZYOIXPAASZPVIL-UHFFFAOYSA-N 1 0 300.362 2.117 50 0 DEAARO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cc(C(N)=O)cs1)O2 ZINC000095991144 402043991 /nfs/dbraw/zinc/04/39/91/402043991.db2.gz PWGGDLDVJPAEMM-RYCVTPFZSA-N 1 0 324.446 2.258 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000095996132 402044963 /nfs/dbraw/zinc/04/49/63/402044963.db2.gz SGIVMFYVSYMEOQ-BBRMVZONSA-N 1 0 307.413 2.014 50 0 DEAARO COCCOc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000053030819 402049600 /nfs/dbraw/zinc/04/96/00/402049600.db2.gz FGBQOQPQWHDVEB-HNNXBMFYSA-N 1 0 320.433 2.316 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000052982759 402049672 /nfs/dbraw/zinc/04/96/72/402049672.db2.gz HSQYCJAYAZFMLX-ZBFHGGJFSA-N 1 0 301.390 2.105 50 0 DEAARO C[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[NH+]1CCCCC1 ZINC000053134953 402051795 /nfs/dbraw/zinc/05/17/95/402051795.db2.gz LBMXHUUXQXNNHX-JTQLQIEISA-N 1 0 318.343 2.043 50 0 DEAARO CCC[N@@H+]1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 ZINC000053408786 402055197 /nfs/dbraw/zinc/05/51/97/402055197.db2.gz XDHXNNLRLPEMSQ-CQSZACIVSA-N 1 0 306.454 2.408 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)NCc1cn2c(n1)SCC2 ZINC000055118801 402076087 /nfs/dbraw/zinc/07/60/87/402076087.db2.gz UJFNACTZALAUOT-UHFFFAOYSA-N 1 0 322.478 2.261 50 0 DEAARO O=C(/C=C\c1c(F)cccc1F)NCCCC[NH+]1CCOCC1 ZINC000096400750 402077726 /nfs/dbraw/zinc/07/77/26/402077726.db2.gz YGHODUPAKCFCHD-SREVYHEPSA-N 1 0 324.371 2.207 50 0 DEAARO CCOC(=O)[C@@H]1C[C@@]2(c3cccc(C)c3NC2=O)[N@@H+]2CCC[C@H]12 ZINC000055243654 402078451 /nfs/dbraw/zinc/07/84/51/402078451.db2.gz DZKLHXXOODGCMW-DFHBCGBQSA-N 1 0 314.385 2.190 50 0 DEAARO O=C(Nc1nnc(-c2cccs2)s1)N[C@H]1CCC[NH2+]C1 ZINC000055309669 402079316 /nfs/dbraw/zinc/07/93/16/402079316.db2.gz HCGLQPCLJJPTEW-QMMMGPOBSA-N 1 0 309.420 2.140 50 0 DEAARO CN(Cc1cccc(C[NH+](C)C)c1)C(=O)Nc1nncs1 ZINC000055324800 402079894 /nfs/dbraw/zinc/07/98/94/402079894.db2.gz FYLUXEYUCWLSTF-UHFFFAOYSA-N 1 0 305.407 2.264 50 0 DEAARO Cc1ccc(F)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096412707 402080363 /nfs/dbraw/zinc/08/03/63/402080363.db2.gz XFFPIXBNTJSVCO-CQSZACIVSA-N 1 0 320.408 2.365 50 0 DEAARO C[C@](CO)([NH2+]Cc1nnnn1-c1ccccc1)C1CCCCC1 ZINC000096420060 402082121 /nfs/dbraw/zinc/08/21/21/402082121.db2.gz VPEFWXBSJLFPCU-QGZVFWFLSA-N 1 0 315.421 2.083 50 0 DEAARO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)N2CCCC[C@H]12 ZINC000096429876 402085317 /nfs/dbraw/zinc/08/53/17/402085317.db2.gz YIPBUCAJKIYBKW-MRXNPFEDSA-N 1 0 317.408 2.102 50 0 DEAARO C1CC1c1nsc(N2CCC[N@@H+](C3CCOCC3)CC2)n1 ZINC000096455787 402091428 /nfs/dbraw/zinc/09/14/28/402091428.db2.gz WRTTWBKGKFMWNJ-UHFFFAOYSA-N 1 0 308.451 2.107 50 0 DEAARO CCc1nncn1CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000096461855 402092547 /nfs/dbraw/zinc/09/25/47/402092547.db2.gz BYUQWMRPEKPOQE-RDJZCZTQSA-N 1 0 313.449 2.266 50 0 DEAARO O=C(Nc1c[nH]ccc1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057170812 402092902 /nfs/dbraw/zinc/09/29/02/402092902.db2.gz IEDKERYFUOMTIV-OAHLLOKOSA-N 1 0 311.385 2.226 50 0 DEAARO CC[C@H](C(=O)NCc1cn(C)nc1-c1ccccc1)[NH+](C)C ZINC000096501420 402097756 /nfs/dbraw/zinc/09/77/56/402097756.db2.gz WIIMFSAWQXNTGA-OAHLLOKOSA-N 1 0 300.406 2.044 50 0 DEAARO CN(C)c1ccncc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096502943 402097896 /nfs/dbraw/zinc/09/78/96/402097896.db2.gz UJMOQZUWIFDGCK-AWEZNQCLSA-N 1 0 320.437 2.247 50 0 DEAARO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000097045709 402101800 /nfs/dbraw/zinc/10/18/00/402101800.db2.gz GPJFTKZAJSAKNK-INIZCTEOSA-N 1 0 300.402 2.346 50 0 DEAARO Cc1ccc(Cc2nnc(NC(=O)NCC[NH+](C)C)s2)cc1 ZINC000097052095 402103626 /nfs/dbraw/zinc/10/36/26/402103626.db2.gz JPPSXMIUQOJCNF-UHFFFAOYSA-N 1 0 319.434 2.120 50 0 DEAARO OC[C@H]1C=C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000097082174 402104969 /nfs/dbraw/zinc/10/49/69/402104969.db2.gz KAJZLUCFJPSOFE-QFBILLFUSA-N 1 0 318.436 2.359 50 0 DEAARO CC(C)C[C@@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 ZINC000097084735 402105625 /nfs/dbraw/zinc/10/56/25/402105625.db2.gz PUWFEZIYYCKXGI-GHMZBOCLSA-N 1 0 322.438 2.427 50 0 DEAARO CSc1cncc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000097162959 402113423 /nfs/dbraw/zinc/11/34/23/402113423.db2.gz UHAIEYAGMUGBDD-AWEZNQCLSA-N 1 0 322.478 2.280 50 0 DEAARO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)c1 ZINC000097200728 402115920 /nfs/dbraw/zinc/11/59/20/402115920.db2.gz LYZRJCRCPUYJOZ-MRXNPFEDSA-N 1 0 324.428 2.423 50 0 DEAARO CCN(Cc1cnn(CC)c1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063868715 402116222 /nfs/dbraw/zinc/11/62/22/402116222.db2.gz XIZQQZJHYZTOLT-QZTJIDSGSA-N 1 0 320.481 2.104 50 0 DEAARO CC(C)Cn1cncc1CNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844651 402116603 /nfs/dbraw/zinc/11/66/03/402116603.db2.gz CGAWWZKNHQYGDP-QZTJIDSGSA-N 1 0 320.481 2.008 50 0 DEAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202799 402116823 /nfs/dbraw/zinc/11/68/23/402116823.db2.gz DMBWHYCSYZCVML-KRWDZBQOSA-N 1 0 315.417 2.337 50 0 DEAARO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203626 402117460 /nfs/dbraw/zinc/11/74/60/402117460.db2.gz MIHVXURIIPTQID-GJZGRUSLSA-N 1 0 318.465 2.389 50 0 DEAARO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)c(F)c1 ZINC000097227561 402118583 /nfs/dbraw/zinc/11/85/83/402118583.db2.gz HMVXGLMCXHXMNE-UHFFFAOYSA-N 1 0 301.365 2.439 50 0 DEAARO CC[C@@H](c1cccnc1)N(C)C(=O)C1CC[NH+](CCOC)CC1 ZINC000097529093 402127061 /nfs/dbraw/zinc/12/70/61/402127061.db2.gz NTAIQLFAICJVSO-KRWDZBQOSA-N 1 0 319.449 2.350 50 0 DEAARO CCN(C[C@@H](O)c1cccc(O)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000097619416 402128733 /nfs/dbraw/zinc/12/87/33/402128733.db2.gz ROHWCWFPHRKKBV-QGZVFWFLSA-N 1 0 320.433 2.006 50 0 DEAARO Cc1cc2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)c2o1 ZINC000097766372 402132441 /nfs/dbraw/zinc/13/24/41/402132441.db2.gz ONTQMNLONMHMSA-CQSZACIVSA-N 1 0 316.401 2.175 50 0 DEAARO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ncccc1O ZINC000097377915 402123328 /nfs/dbraw/zinc/12/33/28/402123328.db2.gz YRWMSKDICLNEFE-UHFFFAOYSA-N 1 0 305.403 2.053 50 0 DEAARO CNC(=O)CC[N@H+](C)C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000065387740 402124134 /nfs/dbraw/zinc/12/41/34/402124134.db2.gz IWROLFNKAUYFDF-UHFFFAOYSA-N 1 0 311.376 2.002 50 0 DEAARO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(F)cc2C)c1 ZINC000066988793 402149338 /nfs/dbraw/zinc/14/93/38/402149338.db2.gz FVAAVOQBUXTRGG-UHFFFAOYSA-N 1 0 322.405 2.332 50 0 DEAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000067934133 402178584 /nfs/dbraw/zinc/17/85/84/402178584.db2.gz AHDTVZCFBOFRMP-HNNXBMFYSA-N 1 0 318.417 2.196 50 0 DEAARO CN1CC[NH+](CCCOc2ccccc2-c2ncc[nH]2)CC1 ZINC000067934829 402179346 /nfs/dbraw/zinc/17/93/46/402179346.db2.gz AEXKPWXEWFYJFF-UHFFFAOYSA-N 1 0 300.406 2.093 50 0 DEAARO CCC[NH+]1CCC(CNC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000067967542 402180923 /nfs/dbraw/zinc/18/09/23/402180923.db2.gz VVHPGOCUVFGYDB-UHFFFAOYSA-N 1 0 317.433 2.497 50 0 DEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cccc(Br)c1 ZINC000124674587 402191397 /nfs/dbraw/zinc/19/13/97/402191397.db2.gz NKOAAQCBOLOXFL-MFKMUULPSA-N 1 0 311.223 2.330 50 0 DEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cccc(Br)c1 ZINC000124674822 402191737 /nfs/dbraw/zinc/19/17/37/402191737.db2.gz NKOAAQCBOLOXFL-GWCFXTLKSA-N 1 0 311.223 2.330 50 0 DEAARO COCC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(C)cc2C)C1 ZINC000068493597 402200132 /nfs/dbraw/zinc/20/01/32/402200132.db2.gz JMWPBCNMQQNRNK-QGZVFWFLSA-N 1 0 318.461 2.321 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(C)cc2C)C1 ZINC000068493594 402200529 /nfs/dbraw/zinc/20/05/29/402200529.db2.gz JMWPBCNMQQNRNK-KRWDZBQOSA-N 1 0 318.461 2.321 50 0 DEAARO CC(C)(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067446831 402160083 /nfs/dbraw/zinc/16/00/83/402160083.db2.gz SVWOPAAYWYOBSH-LJQANCHMSA-N 1 0 318.461 2.361 50 0 DEAARO Cc1ccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)o1 ZINC000067698941 402168840 /nfs/dbraw/zinc/16/88/40/402168840.db2.gz VUPONBYZFNJKGR-CYBMUJFWSA-N 1 0 317.311 2.251 50 0 DEAARO COc1ccc(OC)c(-n2cnnc2[C@@H]2CCC[N@H+](C)C2)c1 ZINC000067755188 402170989 /nfs/dbraw/zinc/17/09/89/402170989.db2.gz BJEDYDHVAUSHFU-GFCCVEGCSA-N 1 0 302.378 2.094 50 0 DEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H]3C)cnn2c1 ZINC000067855767 402175412 /nfs/dbraw/zinc/17/54/12/402175412.db2.gz MZVUCCCUCUNJGO-ZDUSSCGKSA-N 1 0 315.421 2.196 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)Nc2cccc(F)c2)C1 ZINC000067871681 402176813 /nfs/dbraw/zinc/17/68/13/402176813.db2.gz YBKDKEMHLVPZDY-ZDUSSCGKSA-N 1 0 321.396 2.002 50 0 DEAARO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069325223 402218424 /nfs/dbraw/zinc/21/84/24/402218424.db2.gz IHHZUQGOKSFLHF-MSOLQXFVSA-N 1 0 313.445 2.176 50 0 DEAARO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)[C@@H](C)n1cccn1 ZINC000069372371 402220667 /nfs/dbraw/zinc/22/06/67/402220667.db2.gz ZWUKVWYBQMBHHP-ZIAGYGMSSA-N 1 0 310.405 2.418 50 0 DEAARO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000069369677 402220675 /nfs/dbraw/zinc/22/06/75/402220675.db2.gz CWXAOOTZICWSFZ-GFCCVEGCSA-N 1 0 317.389 2.386 50 0 DEAARO CN1CCO[C@@H](C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000069378027 402221408 /nfs/dbraw/zinc/22/14/08/402221408.db2.gz QIYCMLDDKLXUMM-LBPRGKRZSA-N 1 0 317.202 2.008 50 0 DEAARO CCc1nc(CN2CCC[C@H]([NH2+]Cc3ccsc3)C2)no1 ZINC000069453979 402224679 /nfs/dbraw/zinc/22/46/79/402224679.db2.gz ISFHGWHAPKQECD-ZDUSSCGKSA-N 1 0 306.435 2.448 50 0 DEAARO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@H](C)n1cccn1 ZINC000069629507 402235654 /nfs/dbraw/zinc/23/56/54/402235654.db2.gz FNCIOKIICZUBDG-ZQIUZPCESA-N 1 0 312.417 2.442 50 0 DEAARO CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](c3ccccc3)C2)C1=O ZINC000069628781 402235659 /nfs/dbraw/zinc/23/56/59/402235659.db2.gz CJZNRTGYGYCBDL-HNNXBMFYSA-N 1 0 315.417 2.196 50 0 DEAARO Cc1ccc(-c2nc(CN3CCO[C@H](C[NH+](C)C)C3)co2)cc1 ZINC000069665234 402237907 /nfs/dbraw/zinc/23/79/07/402237907.db2.gz SJDQRCCRUAMLPA-QGZVFWFLSA-N 1 0 315.417 2.412 50 0 DEAARO CCOCC[N@@H+]1CCN(c2nn3cc(C)nc3s2)C[C@H]1CC ZINC000069698081 402239288 /nfs/dbraw/zinc/23/92/88/402239288.db2.gz JPURLTBTRBXNBH-CYBMUJFWSA-N 1 0 323.466 2.036 50 0 DEAARO C[C@@H]1CN(Cc2ccccn2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069739889 402241781 /nfs/dbraw/zinc/24/17/81/402241781.db2.gz HPRGDHSXSYFNCN-APWZRJJASA-N 1 0 311.429 2.321 50 0 DEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000069739179 402241836 /nfs/dbraw/zinc/24/18/36/402241836.db2.gz CDQCAZDGCMSHDW-KSZLIROESA-N 1 0 320.408 2.334 50 0 DEAARO CCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC000069776699 402243891 /nfs/dbraw/zinc/24/38/91/402243891.db2.gz JZTXNVPXIFGYCH-LSDHHAIUSA-N 1 0 304.438 2.300 50 0 DEAARO c1ccc(-c2ncc(C[NH2+]C[C@H]3CN(C4CC4)CCO3)cn2)cc1 ZINC000069870098 402248154 /nfs/dbraw/zinc/24/81/54/402248154.db2.gz DWBNJJAPDTZDNC-SFHVURJKSA-N 1 0 324.428 2.096 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2cc(F)cc3cccnc32)CCO1 ZINC000070016818 402255032 /nfs/dbraw/zinc/25/50/32/402255032.db2.gz 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CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2-n2cccn2)C1 ZINC000063853009 276176107 /nfs/dbraw/zinc/17/61/07/276176107.db2.gz VNQYABPNKCAHCR-OAHLLOKOSA-N 1 0 312.417 2.334 50 0 DEAARO CN(CC[NH+]1CCCC1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067473186 276837948 /nfs/dbraw/zinc/83/79/48/276837948.db2.gz FSXBPQCCOBYVHV-UHFFFAOYSA-N 1 0 303.381 2.195 50 0 DEAARO C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000408523634 277184407 /nfs/dbraw/zinc/18/44/07/277184407.db2.gz LXPCWYRUDZWTGZ-MJGOQNOKSA-N 1 0 313.445 2.210 50 0 DEAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C[C@H]1[NH+](C)C ZINC000084714262 287983011 /nfs/dbraw/zinc/98/30/11/287983011.db2.gz FQXBPCJXDRBUJY-YVLXSGLVSA-N 1 0 308.809 2.052 50 0 DEAARO C[C@@H](NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)c1ccccc1F ZINC000215257828 278329182 /nfs/dbraw/zinc/32/91/82/278329182.db2.gz BHFGHANQJFKAFO-DYVFJYSZSA-N 1 0 319.424 2.219 50 0 DEAARO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)[C@H](C)n1cccn1 ZINC000069659380 278360120 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O=C(CCc1ccccc1Cl)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534644674 334306745 /nfs/dbraw/zinc/30/67/45/334306745.db2.gz GGQOLJWFLVFIMM-HOTGVXAUSA-N 1 0 322.836 2.252 50 0 DEAARO CCOc1ccccc1CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000534631016 334307442 /nfs/dbraw/zinc/30/74/42/334307442.db2.gz FCFRDZJSPXLARH-MRXNPFEDSA-N 1 0 319.449 2.363 50 0 DEAARO Cn1ccnc1[C@@H](NC(=O)C[NH+]1CCCCCCC1)C1CC1 ZINC000534637108 334309510 /nfs/dbraw/zinc/30/95/10/334309510.db2.gz SGBIZMDGYODFLC-INIZCTEOSA-N 1 0 304.438 2.254 50 0 DEAARO C[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000022999740 337350891 /nfs/dbraw/zinc/35/08/91/337350891.db2.gz UZCSBHGFAXINKX-UHFFFAOYSA-N 1 0 322.474 2.186 50 0 DEAARO C[C@@H]1C[N@@H+](CCCN2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000328588553 534462797 /nfs/dbraw/zinc/46/27/97/534462797.db2.gz IHHSQJRUTDVLGN-QXGSTGNESA-N 1 0 322.493 2.375 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000178521454 534691696 /nfs/dbraw/zinc/69/16/96/534691696.db2.gz 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CNC(=O)N1CCC(n2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000581808731 777839014 /nfs/dbraw/zinc/83/90/14/777839014.db2.gz IMRDHGJYFJNUAE-UHFFFAOYSA-N 1 0 306.410 2.062 50 0 DEAARO COCC(=O)Nc1ccc(NC(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000824313076 783592069 /nfs/dbraw/zinc/59/20/69/783592069.db2.gz MDFAVYQOMAPDFU-OAHLLOKOSA-N 1 0 319.405 2.084 50 0 DEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccon1 ZINC000828196009 783760899 /nfs/dbraw/zinc/76/08/99/783760899.db2.gz DMSJKXUXKSHAOX-UHFFFAOYSA-N 1 0 305.403 2.378 50 0 DEAARO O=C(c1ccncc1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581798441 784779704 /nfs/dbraw/zinc/77/97/04/784779704.db2.gz MDRSYHMMNDAREK-QZTJIDSGSA-N 1 0 307.397 2.428 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)c2ccc(C)nc2)CC12CCOCC2 ZINC000581801774 784780859 /nfs/dbraw/zinc/78/08/59/784780859.db2.gz JKBQBIPDCVCQJI-UHFFFAOYSA-N 1 0 317.433 2.107 50 0 DEAARO CCNC(=O)N1CCC(n2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000581808923 784785469 /nfs/dbraw/zinc/78/54/69/784785469.db2.gz ZWVRKPXYIDRKEB-UHFFFAOYSA-N 1 0 320.437 2.452 50 0 DEAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccn(C)n1 ZINC000585079677 789677544 /nfs/dbraw/zinc/67/75/44/789677544.db2.gz WFKSOXNLEVZNLU-YOEHRIQHSA-N 1 0 310.401 2.177 50 0 DEAARO CCc1ccc2occ(C(=O)N[C@@H]3CCC[N@H+](CCO)C3)c2c1 ZINC000585086802 789685727 /nfs/dbraw/zinc/68/57/27/789685727.db2.gz WZDXUTMLXFXPGM-CQSZACIVSA-N 1 0 316.401 2.182 50 0 DEAARO Cn1c(C[NH2+]C[C@@H]2CSCCS2)cnc1Br ZINC000585118273 789705073 /nfs/dbraw/zinc/70/50/73/789705073.db2.gz ISBIEYSCZASNTJ-SECBINFHSA-N 1 0 322.297 2.121 50 0 DEAARO CCC[C@]1(CO)CC[N@H+](CC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000952845642 792776808 /nfs/dbraw/zinc/77/68/08/792776808.db2.gz KNYVRJWJHOIMIP-KRWDZBQOSA-N 1 0 308.422 2.031 50 0 DEAARO C[C@@H](C[NH2+]Cc1csc(N)n1)Cc1ccc2c(c1)OCO2 ZINC000952861002 792782934 /nfs/dbraw/zinc/78/29/34/792782934.db2.gz WGXSWKOEJQQRHJ-SNVBAGLBSA-N 1 0 305.403 2.422 50 0 DEAARO COc1cccc(Oc2ccc(NC(=O)[C@@H]3C=CC[NH2+]3)cn2)c1 ZINC000952867561 792801320 /nfs/dbraw/zinc/80/13/20/792801320.db2.gz PDBGWLNLLLKTNP-HNNXBMFYSA-N 1 0 311.341 2.349 50 0 DEAARO Cn1cc(C[N@H+](CCOc2ccccc2)C[C@@H]2CCCO2)cn1 ZINC001529095949 1070848325 /nfs/dbraw/zinc/84/83/25/1070848325.db2.gz ZQHSFONJLDNLJN-SFHVURJKSA-N 1 0 315.417 2.480 50 0 DEAARO C[N@H+](CC[C@H]1CCCCO1)CC(=O)NCCc1ccc(F)cc1 ZINC001529172510 1070899157 /nfs/dbraw/zinc/89/91/57/1070899157.db2.gz NHDAKISJPNFHDQ-QGZVFWFLSA-N 1 0 322.424 2.375 50 0 DEAARO Cc1ncsc1C[N@H+](CCC(N)=O)CCc1ccccc1 ZINC001529169296 1070898664 /nfs/dbraw/zinc/89/86/64/1070898664.db2.gz UCNQSAGERNNLOK-UHFFFAOYSA-N 1 0 303.431 2.372 50 0 DEAARO Cc1nc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)sc1C ZINC001529198985 1070909702 /nfs/dbraw/zinc/90/97/02/1070909702.db2.gz RNZXBAKLKIATGR-HNNXBMFYSA-N 1 0 311.495 2.285 50 0 DEAARO Cc1ncsc1C(=O)Nc1ccnn1C1CC[NH+](C)CC1 ZINC001506397201 1061934367 /nfs/dbraw/zinc/93/43/67/1061934367.db2.gz RGZVDNUMDKQVCU-UHFFFAOYSA-N 1 0 305.407 2.167 50 0 DEAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCN(c3ncccc3C)CC2)n1 ZINC001506396019 1061935932 /nfs/dbraw/zinc/93/59/32/1061935932.db2.gz DOBWDYLTMCZPEN-QGZVFWFLSA-N 1 0 313.449 2.414 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H]([NH3+])CC2)c(Cl)cc1F ZINC001506396616 1061936286 /nfs/dbraw/zinc/93/62/86/1061936286.db2.gz IQZAIDQZLYYKIE-AOOOYVTPSA-N 1 0 320.817 2.336 50 0 DEAARO c1ccc(N2CC[C@H]([NH2+]Cc3nnnn3-c3ccccc3)C2)cc1 ZINC001506395731 1061937459 /nfs/dbraw/zinc/93/74/59/1061937459.db2.gz LVFUTSYKUMHCNP-HNNXBMFYSA-N 1 0 320.400 2.031 50 0 DEAARO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCOC3)cc2)CC1 ZINC000823764740 1090697356 /nfs/dbraw/zinc/69/73/56/1090697356.db2.gz CBDGJYIVJKGCMF-CYBMUJFWSA-N 1 0 304.390 2.135 50 0 DEAARO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCOC3)cc2)CC1 ZINC000823764742 1090697629 /nfs/dbraw/zinc/69/76/29/1090697629.db2.gz CBDGJYIVJKGCMF-ZDUSSCGKSA-N 1 0 304.390 2.135 50 0 DEAARO C[C@@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000076980846 185062827 /nfs/dbraw/zinc/06/28/27/185062827.db2.gz MHAGFMMWLNMGBY-DZGCQCFKSA-N 1 0 302.422 2.268 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000095528494 185378539 /nfs/dbraw/zinc/37/85/39/185378539.db2.gz HSVJZLPMGRFKGP-KRWDZBQOSA-N 1 0 322.424 2.486 50 0 DEAARO O=C(/C=C\c1ccco1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000096646006 185385102 /nfs/dbraw/zinc/38/51/02/185385102.db2.gz VROREPPDIXALGO-SREVYHEPSA-N 1 0 318.417 2.444 50 0 DEAARO Cn1c(SCC[C@H]2CC2(F)F)nnc1C1CC[NH2+]CC1 ZINC000426707309 230812507 /nfs/dbraw/zinc/81/25/07/230812507.db2.gz ZDWOSXSJPXEPSV-JTQLQIEISA-N 1 0 302.394 2.420 50 0 DEAARO COc1cc(C2(C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)CC2)ccc1C ZINC000078895114 185124033 /nfs/dbraw/zinc/12/40/33/185124033.db2.gz GRJOWQDFRNPMKM-HOCLYGCPSA-N 1 0 316.445 2.444 50 0 DEAARO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000078947667 185133502 /nfs/dbraw/zinc/13/35/02/185133502.db2.gz WOJJQFZLHPCXRE-RHSMWYFYSA-N 1 0 320.408 2.458 50 0 DEAARO COC[C@H](O)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000079014158 185146336 /nfs/dbraw/zinc/14/63/36/185146336.db2.gz BPBDMIMZJZJZQS-GFCCVEGCSA-N 1 0 306.175 2.027 50 0 DEAARO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000079099678 185158255 /nfs/dbraw/zinc/15/82/55/185158255.db2.gz VIFPYCKTENGHGM-CQSZACIVSA-N 1 0 323.396 2.463 50 0 DEAARO CC[NH+](CC)CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000079311067 185164447 /nfs/dbraw/zinc/16/44/47/185164447.db2.gz TZQQLHZCUJIOKR-LLVKDONJSA-N 1 0 312.385 2.362 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cccc(C(=O)OC)c2)CC[N@@H+]1C(C)C ZINC000082161335 185174096 /nfs/dbraw/zinc/17/40/96/185174096.db2.gz RKALHTIAMYDEBQ-MRXNPFEDSA-N 1 0 318.417 2.418 50 0 DEAARO FC(F)(F)CN1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000088723881 185263415 /nfs/dbraw/zinc/26/34/15/185263415.db2.gz XXKWKLIJJWZXLQ-CQSZACIVSA-N 1 0 314.351 2.390 50 0 DEAARO CCC[C@@H]1CN(C(=O)c2cccc(C(=O)OC)c2)C[C@H]1[NH+](C)C ZINC000082096844 192355157 /nfs/dbraw/zinc/35/51/57/192355157.db2.gz FIKIKAIGFBPSKT-HZPDHXFCSA-N 1 0 318.417 2.276 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1ccoc1)c1ccc2c(c1)CCO2 ZINC000090607251 185306545 /nfs/dbraw/zinc/30/65/45/185306545.db2.gz BQFXTUCMCFXEGG-OAHLLOKOSA-N 1 0 300.358 2.247 50 0 DEAARO O=C(NCc1csc(C2CC2)n1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000095395571 185352732 /nfs/dbraw/zinc/35/27/32/185352732.db2.gz XCQDCLTWCDDRLJ-LLVKDONJSA-N 1 0 320.462 2.304 50 0 DEAARO CCn1nc(C)c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000095398699 185353528 /nfs/dbraw/zinc/35/35/28/185353528.db2.gz ZPXHFFGGJDMEBO-OAHLLOKOSA-N 1 0 323.437 2.033 50 0 DEAARO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1O)c1ccccc1 ZINC000095400098 185353983 /nfs/dbraw/zinc/35/39/83/185353983.db2.gz XWWBZVLSDNXHOJ-OAHLLOKOSA-N 1 0 300.358 2.131 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000095407287 185356240 /nfs/dbraw/zinc/35/62/40/185356240.db2.gz CLPBCURHUPKUCS-LSDHHAIUSA-N 1 0 303.406 2.077 50 0 DEAARO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000095421171 185360483 /nfs/dbraw/zinc/36/04/83/185360483.db2.gz PHCIOCPEHVFIRX-ZIAGYGMSSA-N 1 0 315.421 2.236 50 0 DEAARO NC(=O)N1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000095437374 185365536 /nfs/dbraw/zinc/36/55/36/185365536.db2.gz SITJFAJHZCMDQQ-UHFFFAOYSA-N 1 0 317.311 2.060 50 0 DEAARO CSC[C@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000083990580 539391452 /nfs/dbraw/zinc/39/14/52/539391452.db2.gz LADMLIXTCCCBKU-NSHDSACASA-N 1 0 311.426 2.421 50 0 DEAARO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000090394192 539415775 /nfs/dbraw/zinc/41/57/75/539415775.db2.gz OOARXHPVXQGOAA-YPMHNXCESA-N 1 0 318.446 2.468 50 0 DEAARO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000090770268 539418375 /nfs/dbraw/zinc/41/83/75/539418375.db2.gz NDCXAYIESODPFQ-RYUDHWBXSA-N 1 0 317.476 2.051 50 0 DEAARO Cc1[nH]nc(C2CC2)c1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C2CC2)C1 ZINC000091745885 539420282 /nfs/dbraw/zinc/42/02/82/539420282.db2.gz DVAUAOACZPYKIP-KGLIPLIRSA-N 1 0 302.422 2.008 50 0 DEAARO C[N@@H+]1CCC[C@H]1CCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000083877906 192389095 /nfs/dbraw/zinc/38/90/95/192389095.db2.gz YBOZFTNFMWEFEO-KRWDZBQOSA-N 1 0 319.424 2.068 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)C(=O)N1CCc2ccccc21 ZINC000083927595 192390497 /nfs/dbraw/zinc/39/04/97/192390497.db2.gz JLRQCNHGNAQXHW-GOEBONIOSA-N 1 0 324.428 2.328 50 0 DEAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000071759881 191025563 /nfs/dbraw/zinc/02/55/63/191025563.db2.gz VKCNYTARBITIRP-XHJNMGKDSA-N 1 0 318.442 2.422 50 0 DEAARO Cc1cc(C)nc(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)n1 ZINC000072145948 191052984 /nfs/dbraw/zinc/05/29/84/191052984.db2.gz PDHJKUMHOHKTGZ-KRWDZBQOSA-N 1 0 318.465 2.170 50 0 DEAARO Cc1nc(C(F)(F)F)nc(NC[C@@H]2COCC[N@@H+](C)C2)c1C ZINC000072151404 191056373 /nfs/dbraw/zinc/05/63/73/191056373.db2.gz VOGIJTKDKRKQSW-NSHDSACASA-N 1 0 318.343 2.102 50 0 DEAARO C[NH+](C)[C@H]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000072165691 191065937 /nfs/dbraw/zinc/06/59/37/191065937.db2.gz PGLWWSQUUAEUKD-HNNXBMFYSA-N 1 0 310.463 2.006 50 0 DEAARO Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)n2)cc1C ZINC000150693084 186057374 /nfs/dbraw/zinc/05/73/74/186057374.db2.gz FKDOJFDUTGLVRE-STQMWFEESA-N 1 0 317.414 2.088 50 0 DEAARO COc1cc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1O ZINC000252487331 539784541 /nfs/dbraw/zinc/78/45/41/539784541.db2.gz VMWDMCDAGNXBBI-KBRIMQKVSA-N 1 0 303.402 2.491 50 0 DEAARO C[C@@H](C(=O)NCc1ccc(CO)c(F)c1)[NH+]1CCCCCC1 ZINC000175646499 186184886 /nfs/dbraw/zinc/18/48/86/186184886.db2.gz OXBVUDKOCZTOOU-ZDUSSCGKSA-N 1 0 308.397 2.199 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC(=O)N(C)C)cc1 ZINC000072301612 191115064 /nfs/dbraw/zinc/11/50/64/191115064.db2.gz GOOZBFKKILHHKO-CQSZACIVSA-N 1 0 317.433 2.478 50 0 DEAARO CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000172157870 198049296 /nfs/dbraw/zinc/04/92/96/198049296.db2.gz VCMCTVRTAVZVAP-KRWDZBQOSA-N 1 0 310.401 2.100 50 0 DEAARO Cn1c(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc2ccccc21 ZINC000072427067 191161419 /nfs/dbraw/zinc/16/14/19/191161419.db2.gz CIWVRKNLGNJPBH-GOSISDBHSA-N 1 0 301.434 2.067 50 0 DEAARO CC(=O)NC1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072432298 191164169 /nfs/dbraw/zinc/16/41/69/191164169.db2.gz YOZDROWCNBPEAW-UHFFFAOYSA-N 1 0 318.461 2.491 50 0 DEAARO C[C@@H](CC(N)=O)[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000038775066 295842119 /nfs/dbraw/zinc/84/21/19/295842119.db2.gz LDMWOHWLLYNMGD-SWLSCSKDSA-N 1 0 309.841 2.330 50 0 DEAARO Cc1nn(C)c2ncnc(N(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)c12 ZINC000072458418 191173470 /nfs/dbraw/zinc/17/34/70/191173470.db2.gz QGDXBVVRBSJFMO-AWEZNQCLSA-N 1 0 316.453 2.086 50 0 DEAARO CCc1nc2c(c(NCCCc3ccncc3)n1)CC[NH2+]CC2 ZINC000072480895 191180788 /nfs/dbraw/zinc/18/07/88/191180788.db2.gz AIRCRMUSJQUFDK-UHFFFAOYSA-N 1 0 311.433 2.167 50 0 DEAARO CC[NH+](CC)CCCn1nnc2c1c1ccccc1oc2=O ZINC000000198783 180723004 /nfs/dbraw/zinc/72/30/04/180723004.db2.gz JQCUOEFNJWJJSX-UHFFFAOYSA-N 1 0 300.362 2.270 50 0 DEAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000333228569 539952400 /nfs/dbraw/zinc/95/24/00/539952400.db2.gz BLZZMKDYDDBHCB-PQEBFOHHSA-N 1 0 302.418 2.411 50 0 DEAARO CCn1cc(-c2cc(C(F)(F)F)nc(NCC[NH3+])n2)c(C)n1 ZINC000002538409 180933256 /nfs/dbraw/zinc/93/32/56/180933256.db2.gz OPEMEBIPBPHLPZ-UHFFFAOYSA-N 1 0 314.315 2.058 50 0 DEAARO C[N@H+](CCOc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000003311804 181003407 /nfs/dbraw/zinc/00/34/07/181003407.db2.gz XMHPOBVTXUTADF-INIZCTEOSA-N 1 0 301.386 2.437 50 0 DEAARO C[C@@H](Cc1ccccc1)[n+]1[n-]oc(=[NH2+])c1CN1CCCCC1 ZINC000008239823 354011244 /nfs/dbraw/zinc/01/12/44/354011244.db2.gz QFRFFKDWALYFOR-AWEZNQCLSA-N 1 0 301.414 2.164 50 0 DEAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH2+]CCCO ZINC000004073493 181069364 /nfs/dbraw/zinc/06/93/64/181069364.db2.gz VJGNKICNSMDWIQ-GZOSKZMVSA-N 1 0 307.434 2.417 50 0 biogenic DEAARO CC(C)(C)OC(=O)CN1C(=O)[C@H]([NH3+])CCC[C@H]1c1ccccc1 ZINC000034204115 354160851 /nfs/dbraw/zinc/16/08/51/354160851.db2.gz HQMBIVACEHSGJR-CABCVRRESA-N 1 0 318.417 2.409 50 0 DEAARO CC(C)(C)OC(=O)CN1C(=O)[C@H]([NH3+])CCC[C@@H]1c1ccccc1 ZINC000034204116 354161186 /nfs/dbraw/zinc/16/11/86/354161186.db2.gz HQMBIVACEHSGJR-HUUCEWRRSA-N 1 0 318.417 2.409 50 0 DEAARO COc1ccc(OC)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000004741639 181145190 /nfs/dbraw/zinc/14/51/90/181145190.db2.gz DJRIKZOQUGBHDF-OAHLLOKOSA-N 1 0 323.356 2.341 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)COCCc1ccccc1 ZINC000072234533 354899002 /nfs/dbraw/zinc/89/90/02/354899002.db2.gz ANOQXKMFQZDERR-MSOLQXFVSA-N 1 0 316.445 2.331 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)nn1 ZINC000072267394 354900264 /nfs/dbraw/zinc/90/02/64/354900264.db2.gz PHOJDKFGNZWORO-QGZVFWFLSA-N 1 0 311.433 2.323 50 0 DEAARO C[NH+]1CCN(c2nc(-c3ccccc3)nc3ncccc32)CC1 ZINC000075259620 355076713 /nfs/dbraw/zinc/07/67/13/355076713.db2.gz NQSPOAGAEFPKLG-UHFFFAOYSA-N 1 0 305.385 2.444 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccncc2Cl)C1 ZINC000075029730 355065052 /nfs/dbraw/zinc/06/50/52/355065052.db2.gz KFUPMFDFENCFQH-LBPRGKRZSA-N 1 0 312.797 2.249 50 0 DEAARO CCC(CC)[C@H](CNC(=O)NCCc1ccccn1)[NH+](C)C ZINC000076093807 355125269 /nfs/dbraw/zinc/12/52/69/355125269.db2.gz JKUPXPSKNRNTSM-INIZCTEOSA-N 1 0 306.454 2.290 50 0 DEAARO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1cc(C)on1 ZINC000076046905 355121547 /nfs/dbraw/zinc/12/15/47/355121547.db2.gz RFOFVXLEVTUBPV-WCQYABFASA-N 1 0 317.393 2.194 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1cccc(F)c1 ZINC000076057044 355122619 /nfs/dbraw/zinc/12/26/19/355122619.db2.gz MHCRWNOFJBASTJ-HUBLWGQQSA-N 1 0 314.426 2.146 50 0 DEAARO C[N@@H+]1CC[C@@H](CNC(=O)CCCC(=O)c2ccc(F)cc2)C1 ZINC000075610258 355097147 /nfs/dbraw/zinc/09/71/47/355097147.db2.gz RQPIJDLFWSILHF-ZDUSSCGKSA-N 1 0 306.381 2.247 50 0 DEAARO CC[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1[NH+](C)C ZINC000089948529 355549470 /nfs/dbraw/zinc/54/94/70/355549470.db2.gz AOFPRFQNBWSXQY-ZBFHGGJFSA-N 1 0 317.433 2.283 50 0 DEAARO CCc1nncn1CC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000110677591 355744329 /nfs/dbraw/zinc/74/43/29/355744329.db2.gz BYUQWMRPEKPOQE-NVXWUHKLSA-N 1 0 313.449 2.266 50 0 DEAARO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1F ZINC000144103235 355901498 /nfs/dbraw/zinc/90/14/98/355901498.db2.gz ZSXDSQYVBPTTOO-UHFFFAOYSA-N 1 0 306.381 2.440 50 0 DEAARO C[NH+]1CCC(N(C[C@@H]2CCOC2)C(=O)c2ccsc2)CC1 ZINC000169751020 355980187 /nfs/dbraw/zinc/98/01/87/355980187.db2.gz VPOYTDYCFIKBAM-ZDUSSCGKSA-N 1 0 308.447 2.321 50 0 DEAARO C[NH+]1CCC(N(C[C@H]2CCOC2)C(=O)c2ccccc2F)CC1 ZINC000169749122 355980433 /nfs/dbraw/zinc/98/04/33/355980433.db2.gz ZVCXVFHFVGVUEQ-CQSZACIVSA-N 1 0 320.408 2.399 50 0 DEAARO O=C1C[C@H](C[NH2+]C2CCC3(CC2)OCCO3)c2ccccc2N1 ZINC000156231947 355950663 /nfs/dbraw/zinc/95/06/63/355950663.db2.gz QRUOHXFXDDDKDP-CYBMUJFWSA-N 1 0 316.401 2.388 50 0 DEAARO CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CN(CC)CCO1 ZINC000182476593 356128022 /nfs/dbraw/zinc/12/80/22/356128022.db2.gz CGUFBSUGHZNJRL-OAHLLOKOSA-N 1 0 316.405 2.024 50 0 DEAARO C[C@@H]1C[NH+](CC2CCOCC2)C[C@@H](C)N1CC1CCOCC1 ZINC000187112012 356212811 /nfs/dbraw/zinc/21/28/11/356212811.db2.gz DNJWMKHDFFASAJ-HZPDHXFCSA-N 1 0 310.482 2.234 50 0 DEAARO Cn1ccc([C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)C(F)(F)F)c1 ZINC000195554672 356256777 /nfs/dbraw/zinc/25/67/77/356256777.db2.gz BJRHBISUGITGGR-WCQYABFASA-N 1 0 303.328 2.134 50 0 DEAARO CCOc1ccccc1CCC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236906323 202063576 /nfs/dbraw/zinc/06/35/76/202063576.db2.gz YBESLCBAPCIWGG-HNNXBMFYSA-N 1 0 304.434 2.476 50 0 DEAARO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000236998399 202114730 /nfs/dbraw/zinc/11/47/30/202114730.db2.gz DXQRFNKQPJTZHB-BBRMVZONSA-N 1 0 312.417 2.329 50 0 DEAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000409420389 356736037 /nfs/dbraw/zinc/73/60/37/356736037.db2.gz MHKCZJXWTGXSBC-QGZVFWFLSA-N 1 0 323.408 2.348 50 0 DEAARO CCN1C[C@@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC000390833027 356710546 /nfs/dbraw/zinc/71/05/46/356710546.db2.gz ATXMISKMSQZXGZ-JKSUJKDBSA-N 1 0 324.490 2.016 50 0 DEAARO COc1ccc(CC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000237175107 202176746 /nfs/dbraw/zinc/17/67/46/202176746.db2.gz XCEGTTWPUHVIQC-AAEUAGOBSA-N 1 0 310.825 2.477 50 0 DEAARO Cc1ccsc1[C@H](Cn1cnc2ncccc2c1=O)[NH+](C)C ZINC000584889571 357326040 /nfs/dbraw/zinc/32/60/40/357326040.db2.gz VAUMLWPLRWBIJP-ZDUSSCGKSA-N 1 0 314.414 2.464 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC(C)=NO3)CC2)o1 ZINC000584901428 357330695 /nfs/dbraw/zinc/33/06/95/357330695.db2.gz VHDDTEQOLZGUFA-MRXNPFEDSA-N 1 0 319.405 2.081 50 0 DEAARO CCC[N@@H+]1CCC[C@H](n2cnc3cccc(OC)c3c2=O)C1 ZINC000584903606 357331534 /nfs/dbraw/zinc/33/15/34/357331534.db2.gz HZUXRJHFWDMJDY-ZDUSSCGKSA-N 1 0 301.390 2.452 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131743745 291125733 /nfs/dbraw/zinc/12/57/33/291125733.db2.gz JYUQYJAKBCUQAH-DTWKUNHWSA-N 1 0 323.245 2.494 50 0 DEAARO COc1cc(C2(C(=O)N3CCC(C[NH3+])CC3)CC2)ccc1C ZINC000237286487 202218828 /nfs/dbraw/zinc/21/88/28/202218828.db2.gz YHPBGUJRECZFAI-UHFFFAOYSA-N 1 0 302.418 2.233 50 0 DEAARO C[NH2+]CC1CCN(C(=O)c2nc(C(C)C)ncc2Cl)CC1 ZINC000237354021 202242257 /nfs/dbraw/zinc/24/22/57/202242257.db2.gz GJXHLUXLROOXQR-UHFFFAOYSA-N 1 0 310.829 2.325 50 0 DEAARO Cc1nn(C)c(C)c1C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000237702979 202331659 /nfs/dbraw/zinc/33/16/59/202331659.db2.gz MGFVLLHTWMMGKY-UHFFFAOYSA-N 1 0 312.417 2.106 50 0 DEAARO O=C(Cc1cccc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000237739555 202341827 /nfs/dbraw/zinc/34/18/27/202341827.db2.gz GDZQRGGGTJZKJC-UHFFFAOYSA-N 1 0 308.372 2.498 50 0 DEAARO O=C(C1CC[NH2+]CC1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000237870186 202375886 /nfs/dbraw/zinc/37/58/86/202375886.db2.gz JLYRWVUQRCZWFK-HNNXBMFYSA-N 1 0 308.809 2.319 50 0 DEAARO O=C([C@H]1CC12CC[NH2+]CC2)N1CCO[C@@H](c2ccccc2F)C1 ZINC000237879653 202377194 /nfs/dbraw/zinc/37/71/94/202377194.db2.gz LHKHPLBTRWRCDN-GDBMZVCRSA-N 1 0 318.392 2.115 50 0 DEAARO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 ZINC000189327494 200382085 /nfs/dbraw/zinc/38/20/85/200382085.db2.gz ZQPNDUIWBGLDCY-DLBZAZTESA-N 1 0 316.445 2.283 50 0 DEAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(=O)[nH]1 ZINC000670433899 540932658 /nfs/dbraw/zinc/93/26/58/540932658.db2.gz JBCNPRIZHXIXSL-GFCCVEGCSA-N 1 0 317.414 2.243 50 0 DEAARO CNC(=O)C[C@@H]1CC[N@H+](CCOc2c(C)cccc2Cl)C1 ZINC000670437480 540933047 /nfs/dbraw/zinc/93/30/47/540933047.db2.gz PYGKSFZJIRKOID-ZDUSSCGKSA-N 1 0 310.825 2.485 50 0 DEAARO Cc1nc2ccc(C(=O)NCCNc3cc[nH+]cc3C)cc2o1 ZINC000670455884 540936121 /nfs/dbraw/zinc/93/61/21/540936121.db2.gz XEURNCVBJCYUKI-UHFFFAOYSA-N 1 0 310.357 2.103 50 0 DEAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1[nH]cc(C)c(=O)c1C ZINC000670456444 540936196 /nfs/dbraw/zinc/93/61/96/540936196.db2.gz JCKPFSRCIQFCET-UHFFFAOYSA-N 1 0 302.422 2.396 50 0 DEAARO COc1ccc2[nH]c(CNC(=O)c3ccc(CC[NH3+])cc3)nc2c1 ZINC000670465633 540937833 /nfs/dbraw/zinc/93/78/33/540937833.db2.gz ASGDOVSEGNWGBT-UHFFFAOYSA-N 1 0 324.384 2.003 50 0 DEAARO COc1cccc([C@H](O)C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194036470 201167760 /nfs/dbraw/zinc/16/77/60/201167760.db2.gz WKNZECROGJZJDW-WCXIOVBPSA-N 1 0 303.402 2.276 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(OC)cc1 ZINC000006509269 181348053 /nfs/dbraw/zinc/34/80/53/181348053.db2.gz DQRGBXSBLIJLKR-AWEZNQCLSA-N 1 0 307.463 2.144 50 0 DEAARO Cc1ccsc1[C@H](Cn1cc(-c2nccn2C)nn1)[NH+](C)C ZINC000091325806 193039881 /nfs/dbraw/zinc/03/98/81/193039881.db2.gz CWZUFGZXYGQAAA-ZDUSSCGKSA-N 1 0 316.434 2.351 50 0 DEAARO CCc1ccc(-c2cn([C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)nn2)nc1 ZINC000091526396 193069205 /nfs/dbraw/zinc/06/92/05/193069205.db2.gz OFZXXGOIZYVZEE-IRXDYDNUSA-N 1 0 315.421 2.183 50 0 DEAARO CC(C)=CC[C@@]1(CO)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000091690323 193091797 /nfs/dbraw/zinc/09/17/97/193091797.db2.gz ZKHBNXJXSRLFMX-SFHVURJKSA-N 1 0 308.466 2.428 50 0 DEAARO Cc1ccc(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c(N(C)C)c1 ZINC000091764516 193103828 /nfs/dbraw/zinc/10/38/28/193103828.db2.gz IXWXRVHVWPKXBS-JKSUJKDBSA-N 1 0 318.465 2.343 50 0 DEAARO C[C@H](O)C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091915078 193125806 /nfs/dbraw/zinc/12/58/06/193125806.db2.gz VTCFNMKMIWAVLF-INIZCTEOSA-N 1 0 316.445 2.272 50 0 DEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)ccc1C)C2 ZINC000091914707 193126107 /nfs/dbraw/zinc/12/61/07/193126107.db2.gz NTWIKYYFPIQJPQ-GDBMZVCRSA-N 1 0 320.408 2.317 50 0 DEAARO CCC[C@H]1CN(C(=O)CSc2cccc(OC)c2)C[C@@H]1[NH3+] ZINC000092020595 193143638 /nfs/dbraw/zinc/14/36/38/193143638.db2.gz HQUGPQYRLYAIEZ-WFASDCNBSA-N 1 0 308.447 2.373 50 0 DEAARO Cc1cnc([C@H](C)CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)s1 ZINC000222295624 201606941 /nfs/dbraw/zinc/60/69/41/201606941.db2.gz XWDHKNXCABSOKY-KGYLQXTDSA-N 1 0 310.467 2.337 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000252671419 202869674 /nfs/dbraw/zinc/86/96/74/202869674.db2.gz VSEJRDOEDBUTDA-KFWWJZLASA-N 1 0 316.401 2.249 50 0 DEAARO COc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147940 193208393 /nfs/dbraw/zinc/20/83/93/193208393.db2.gz PZGQXMGMJLWFKO-SFHVURJKSA-N 1 0 317.477 2.297 50 0 DEAARO CSc1nccc(N2CCC([NH2+][C@@H]3CCSC3)CC2)n1 ZINC000095353164 193427157 /nfs/dbraw/zinc/42/71/57/193427157.db2.gz AGAJAVZEXIQION-GFCCVEGCSA-N 1 0 310.492 2.262 50 0 DEAARO CC(C)CN1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096491738 193669577 /nfs/dbraw/zinc/66/95/77/193669577.db2.gz NSXURNQRVXPMTG-JYJNAYRXSA-N 1 0 316.511 2.052 50 0 DEAARO OCC[C@H]1C[N@H+](CC2CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019744206 182141844 /nfs/dbraw/zinc/14/18/44/182141844.db2.gz NEBPCHVKKHQZPO-HNNXBMFYSA-N 1 0 310.388 2.243 50 0 DEAARO COC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020058094 182184759 /nfs/dbraw/zinc/18/47/59/182184759.db2.gz QKUAUDHPDJEHBM-ZDUSSCGKSA-N 1 0 308.397 2.189 50 0 DEAARO COc1ccc(F)c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000020539217 182228896 /nfs/dbraw/zinc/22/88/96/182228896.db2.gz SKVWYXMNLCKRQC-INIZCTEOSA-N 1 0 324.440 2.359 50 0 DEAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 ZINC000020906355 182253503 /nfs/dbraw/zinc/25/35/03/182253503.db2.gz RAHDAAOQPFBMSY-INIZCTEOSA-N 1 0 312.417 2.496 50 0 DEAARO CN(Cc1nc(Cc2ccccc2F)no1)C[C@H]1CCC[N@@H+]1C ZINC000020784830 182247269 /nfs/dbraw/zinc/24/72/69/182247269.db2.gz HFTCDBLHCSXDBG-CQSZACIVSA-N 1 0 318.396 2.326 50 0 DEAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(CCO)CC1 ZINC000022455261 182322479 /nfs/dbraw/zinc/32/24/79/182322479.db2.gz GIDLZVYGGALBFA-CYBMUJFWSA-N 1 0 316.367 2.246 50 0 DEAARO NC(=O)c1cccnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024052692 182373682 /nfs/dbraw/zinc/37/36/82/182373682.db2.gz ZFQURTRTURRDMB-UHFFFAOYSA-N 1 0 310.401 2.257 50 0 DEAARO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)no1 ZINC000038583744 183003510 /nfs/dbraw/zinc/00/35/10/183003510.db2.gz XCWXFGVMYLEALF-UHFFFAOYSA-N 1 0 303.362 2.218 50 0 DEAARO CC(C)CC[N@H+](CC(=O)NC(=O)NCc1ccco1)C1CC1 ZINC000040063294 183030987 /nfs/dbraw/zinc/03/09/87/183030987.db2.gz UQPYYPUZBFDZHB-UHFFFAOYSA-N 1 0 307.394 2.116 50 0 DEAARO CN(C)c1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccn1 ZINC000040535503 183095725 /nfs/dbraw/zinc/09/57/25/183095725.db2.gz GYGTYGZGQFYMJC-CQSZACIVSA-N 1 0 318.446 2.242 50 0 DEAARO COc1cccc([C@H](CNC(=O)c2cc(C)on2)[NH+](C)C)c1 ZINC000041951758 183226749 /nfs/dbraw/zinc/22/67/49/183226749.db2.gz KTZBUFPQKCJLFN-HNNXBMFYSA-N 1 0 303.362 2.024 50 0 DEAARO COc1cc(/C=C\C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000493678660 249360087 /nfs/dbraw/zinc/36/00/87/249360087.db2.gz VZSRIBHXYOYTRK-QDSCNLCFSA-N 1 0 304.390 2.055 50 0 DEAARO CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000043143500 183340733 /nfs/dbraw/zinc/34/07/33/183340733.db2.gz VVZIKUFPJWVPES-OLZOCXBDSA-N 1 0 311.451 2.171 50 0 DEAARO CC[NH+](CC)CCNC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000043078150 183334915 /nfs/dbraw/zinc/33/49/15/183334915.db2.gz OMQBPAMPWJZSLP-UHFFFAOYSA-N 1 0 322.434 2.189 50 0 DEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 ZINC000106577555 194232624 /nfs/dbraw/zinc/23/26/24/194232624.db2.gz RXEGXUDJHCMGIV-ZWKOTPCHSA-N 1 0 314.429 2.158 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000053202637 183892007 /nfs/dbraw/zinc/89/20/07/183892007.db2.gz BQIQXUGDQRRVQY-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO CC(C)[N@H+](CC(N)=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000056267762 184008760 /nfs/dbraw/zinc/00/87/60/184008760.db2.gz DPKMENOOYKCMTN-UHFFFAOYSA-N 1 0 304.312 2.323 50 0 DEAARO Cc1nc2ccccc2n1CCCNC(=O)C[N@@H+](C)C(C)C ZINC000058015460 184067298 /nfs/dbraw/zinc/06/72/98/184067298.db2.gz BGCAXUPALMGQOY-UHFFFAOYSA-N 1 0 302.422 2.191 50 0 DEAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000058202465 184087601 /nfs/dbraw/zinc/08/76/01/184087601.db2.gz HVKLMPZIMGBDIJ-UHFFFAOYSA-N 1 0 313.401 2.117 50 0 DEAARO Cc1nn(C)c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000058161475 184082440 /nfs/dbraw/zinc/08/24/40/184082440.db2.gz CBXRZBFZCUOWDV-HNNXBMFYSA-N 1 0 308.470 2.062 50 0 DEAARO Cc1cc(NC(=O)C[NH2+]C(C)(C)c2ccc3c(c2)OCO3)on1 ZINC000058281789 184099474 /nfs/dbraw/zinc/09/94/74/184099474.db2.gz HRZHRSVHTMLURZ-UHFFFAOYSA-N 1 0 317.345 2.175 50 0 DEAARO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc2cnccc21 ZINC000059510433 184139029 /nfs/dbraw/zinc/13/90/29/184139029.db2.gz CYFIUPHXLRDBFV-ZDUSSCGKSA-N 1 0 307.419 2.031 50 0 DEAARO Cc1cccc(C2(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000061638111 184179538 /nfs/dbraw/zinc/17/95/38/184179538.db2.gz AGCDVHPPTAJPJB-UHFFFAOYSA-N 1 0 312.417 2.423 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000269101879 207242209 /nfs/dbraw/zinc/24/22/09/207242209.db2.gz DFAYWBMITYTYQI-XHDPSFHLSA-N 1 0 308.809 2.102 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1 ZINC000269151723 207278736 /nfs/dbraw/zinc/27/87/36/207278736.db2.gz RSPPFERCWWXSFA-QWRGUYRKSA-N 1 0 314.788 2.314 50 0 DEAARO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000065287930 184322612 /nfs/dbraw/zinc/32/26/12/184322612.db2.gz HFFNRJYCPVHKAP-CQSZACIVSA-N 1 0 302.426 2.110 50 0 DEAARO Cc1c(Cl)cccc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065383330 184332834 /nfs/dbraw/zinc/33/28/34/184332834.db2.gz ZHQKOXHLMQNHRJ-NEPJUHHUSA-N 1 0 314.838 2.163 50 0 DEAARO Cc1nc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000065414303 184340610 /nfs/dbraw/zinc/34/06/10/184340610.db2.gz UTCKAEOTHTYMGM-HNNXBMFYSA-N 1 0 322.478 2.264 50 0 DEAARO C[NH+](C)CC(=O)N1CC[C@@H](c2ccnc(-c3cccnc3)c2)C1 ZINC000065396376 184335439 /nfs/dbraw/zinc/33/54/39/184335439.db2.gz PQZKMXIGSHFCBR-MRXNPFEDSA-N 1 0 310.401 2.021 50 0 DEAARO CCn1c(=O)n(CCCc2ccccc2)nc1C1CC[NH2+]CC1 ZINC000065527341 184360390 /nfs/dbraw/zinc/36/03/90/184360390.db2.gz DTQURPQDQPYSJI-UHFFFAOYSA-N 1 0 314.433 2.165 50 0 DEAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000065565330 184366393 /nfs/dbraw/zinc/36/63/93/184366393.db2.gz XDHLSOJAPHEFBG-UHFFFAOYSA-N 1 0 315.421 2.438 50 0 DEAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCCOC ZINC000066124610 184391254 /nfs/dbraw/zinc/39/12/54/184391254.db2.gz MQEDFXVTBMTHHB-AWEZNQCLSA-N 1 0 308.422 2.172 50 0 DEAARO C[NH+]1CCC(CNC(=O)CSCC(=O)c2ccccc2)CC1 ZINC000065611387 184373637 /nfs/dbraw/zinc/37/36/37/184373637.db2.gz PESTTXGUDAOEHP-UHFFFAOYSA-N 1 0 320.458 2.061 50 0 DEAARO Cc1ccc([C@H](CNC(=O)NCc2cccnc2)[NH+](C)C)cc1 ZINC000065625847 184375327 /nfs/dbraw/zinc/37/53/27/184375327.db2.gz NLMNRQLFHIRNFQ-KRWDZBQOSA-N 1 0 312.417 2.492 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065625630 184375401 /nfs/dbraw/zinc/37/54/01/184375401.db2.gz LXQMBOZLCZQBNE-OAHLLOKOSA-N 1 0 312.417 2.297 50 0 DEAARO C[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)[C@H](C)n1cccn1 ZINC000069376019 184510772 /nfs/dbraw/zinc/51/07/72/184510772.db2.gz YCSSBRGDVQSNIO-KBPBESRZSA-N 1 0 310.405 2.418 50 0 DEAARO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000095908556 285037486 /nfs/dbraw/zinc/03/74/86/285037486.db2.gz RVCKXTKNTKLBBA-JTQLQIEISA-N 1 0 318.236 2.222 50 0 DEAARO COCCN1CC[N@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O ZINC000011839688 285049308 /nfs/dbraw/zinc/04/93/08/285049308.db2.gz WFZRDRYRBXGSMF-HOTGVXAUSA-N 1 0 306.450 2.160 50 0 DEAARO O=S1(=O)CC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000096476487 285069955 /nfs/dbraw/zinc/06/99/55/285069955.db2.gz ZNJTUAVONWZNLS-DOMZBBRYSA-N 1 0 311.472 2.041 50 0 DEAARO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@H]([NH3+])C1 ZINC000152388186 256587478 /nfs/dbraw/zinc/58/74/78/256587478.db2.gz DYYQBEPRBPEYCJ-ZJUUUORDSA-N 1 0 302.296 2.032 50 0 DEAARO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@@H](n2cncn2)C1 ZINC000225410614 256595294 /nfs/dbraw/zinc/59/52/94/256595294.db2.gz NNZNWGITBQYIIL-JLSDUUJJSA-N 1 0 314.433 2.332 50 0 DEAARO C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nnc2n1CCCC2 ZINC000252585058 256613048 /nfs/dbraw/zinc/61/30/48/256613048.db2.gz FSPRKRORBUGYLG-APHBMKBZSA-N 1 0 302.422 2.052 50 0 DEAARO Cc1cc(C)n(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000504269210 257148258 /nfs/dbraw/zinc/14/82/58/257148258.db2.gz HSTGXFJSNGQSBN-IAGOWNOFSA-N 1 0 318.465 2.271 50 0 DEAARO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(Cl)cc1F ZINC000237634121 257238846 /nfs/dbraw/zinc/23/88/46/257238846.db2.gz PXTNEVFOVWOADF-VHSXEESVSA-N 1 0 320.817 2.288 50 0 DEAARO CCOc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000121934541 195377731 /nfs/dbraw/zinc/37/77/31/195377731.db2.gz KVZFCCHBGKOULB-OCCSQVGLSA-N 1 0 306.406 2.436 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cnc(-c2ccccc2F)s1 ZINC000124453310 195643935 /nfs/dbraw/zinc/64/39/35/195643935.db2.gz OBZSXFMSCITBRJ-SNVBAGLBSA-N 1 0 305.378 2.383 50 0 DEAARO Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685941226 542768678 /nfs/dbraw/zinc/76/86/78/542768678.db2.gz VIOAEHXRJGPHRL-GUYCJALGSA-N 1 0 313.405 2.234 50 0 DEAARO COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H]([NH3+])CCSC)C2)cc1 ZINC000237278010 145092085 /nfs/dbraw/zinc/09/20/85/145092085.db2.gz ANWFZRYLZBRCOV-INWMFGNUSA-N 1 0 322.474 2.480 50 0 DEAARO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000370474219 148022259 /nfs/dbraw/zinc/02/22/59/148022259.db2.gz XMZNFRMFWVZBID-MLGOLLRUSA-N 1 0 324.428 2.195 50 0 DEAARO OCC[NH2+]C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000003902833 401724957 /nfs/dbraw/zinc/72/49/57/401724957.db2.gz DYMIJVHRNQRZDH-ZDUSSCGKSA-N 1 0 316.426 2.232 50 0 DEAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000007909227 401746013 /nfs/dbraw/zinc/74/60/13/401746013.db2.gz HSZBKLNTSLISQE-HNNXBMFYSA-N 1 0 317.433 2.233 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccc(Br)cc1 ZINC000126322869 401689276 /nfs/dbraw/zinc/68/92/76/401689276.db2.gz KYNHCGKERDLSBH-NSHDSACASA-N 1 0 311.223 2.202 50 0 DEAARO Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cncn2)cc1C ZINC000071876422 401691076 /nfs/dbraw/zinc/69/10/76/401691076.db2.gz KPEOOBZBZPVHPN-QZTJIDSGSA-N 1 0 314.433 2.483 50 0 DEAARO O=C(COC[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000071890876 401692673 /nfs/dbraw/zinc/69/26/73/401692673.db2.gz MXFMRWLJLSUSRB-WBVHZDCISA-N 1 0 324.465 2.095 50 0 DEAARO C[NH+]1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000000337359 401694984 /nfs/dbraw/zinc/69/49/84/401694984.db2.gz IETSDDSVFULQJY-UHFFFAOYSA-N 1 0 305.385 2.444 50 0 DEAARO CC[N@@H+]1CCCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000071911873 401696022 /nfs/dbraw/zinc/69/60/22/401696022.db2.gz OTENXNPKOCNPFB-SJORKVTESA-N 1 0 317.477 2.322 50 0 DEAARO CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072164913 401703277 /nfs/dbraw/zinc/70/32/77/401703277.db2.gz XYTPGANMQLFXFP-UHFFFAOYSA-N 1 0 308.425 2.445 50 0 DEAARO CN1c2ccccc2[C@@]2(CCC[N@H+](Cc3cccnc3N)C2)C1=O ZINC000072123881 401703369 /nfs/dbraw/zinc/70/33/69/401703369.db2.gz SUKMDHXDRQXVAR-IBGZPJMESA-N 1 0 322.412 2.174 50 0 DEAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000072164018 401703540 /nfs/dbraw/zinc/70/35/40/401703540.db2.gz DLMABJZIGHNHKC-HNNXBMFYSA-N 1 0 324.450 2.468 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H](C)n1cccn1 ZINC000072269800 401705053 /nfs/dbraw/zinc/70/50/53/401705053.db2.gz CNULSQBRHUSBLS-CABCVRRESA-N 1 0 312.417 2.402 50 0 DEAARO Cc1nc2c(c(NCCOc3ccccc3F)n1)CC[NH2+]CC2 ZINC000072435211 401709979 /nfs/dbraw/zinc/70/99/79/401709979.db2.gz HYBDNPUZWDVTDQ-UHFFFAOYSA-N 1 0 316.380 2.103 50 0 DEAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000002745468 401717771 /nfs/dbraw/zinc/71/77/71/401717771.db2.gz UORKGFSKNSMQKQ-UHFFFAOYSA-N 1 0 304.843 2.350 50 0 DEAARO CCCc1ccc(S(=O)(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000014096808 401806714 /nfs/dbraw/zinc/80/67/14/401806714.db2.gz NFJMFDRSPBIGFT-UHFFFAOYSA-N 1 0 310.463 2.402 50 0 DEAARO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014096807 401806820 /nfs/dbraw/zinc/80/68/20/401806820.db2.gz OUHBUYCZJXVZAC-UHFFFAOYSA-N 1 0 308.856 2.164 50 0 DEAARO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000075131912 401751179 /nfs/dbraw/zinc/75/11/79/401751179.db2.gz YGARVWHMAVUFQU-UONOGXRCSA-N 1 0 318.446 2.114 50 0 DEAARO O=S(=O)(Cc1cccc(Cl)c1)NCCC[NH+]1CCCC1 ZINC000010539158 401771012 /nfs/dbraw/zinc/77/10/12/401771012.db2.gz GDACPYFZRJAMTA-UHFFFAOYSA-N 1 0 316.854 2.245 50 0 DEAARO C[C@@H]1C[N@@H+](C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000012414182 401785324 /nfs/dbraw/zinc/78/53/24/401785324.db2.gz PRSOKTOCHJPNBN-DVSNYIGJSA-N 1 0 323.477 2.442 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000012980761 401794850 /nfs/dbraw/zinc/79/48/50/401794850.db2.gz SJEXQDILSLBUBC-ZDUSSCGKSA-N 1 0 314.433 2.446 50 0 DEAARO COc1ccc(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)c(C)c1 ZINC000077489936 401817225 /nfs/dbraw/zinc/81/72/25/401817225.db2.gz DPNYRNWAEQXRHP-LJQANCHMSA-N 1 0 318.461 2.426 50 0 DEAARO O=C(c1ccc(Br)cc1F)N1CCC[NH2+]CC1 ZINC000019515321 401822310 /nfs/dbraw/zinc/82/23/10/401822310.db2.gz PRBDYYDVTLUPHM-UHFFFAOYSA-N 1 0 301.159 2.024 50 0 DEAARO Fc1ccc(CSc2nnc(N3CC[NH2+]CC3)s2)cc1 ZINC000026421919 401840523 /nfs/dbraw/zinc/84/05/23/401840523.db2.gz FNJIRDJNIYKYNJ-UHFFFAOYSA-N 1 0 310.423 2.379 50 0 DEAARO CC1CC[NH+](CCCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000028069761 401849873 /nfs/dbraw/zinc/84/98/73/401849873.db2.gz IZOVQIXUQCSHGC-UHFFFAOYSA-N 1 0 300.406 2.415 50 0 DEAARO Cc1cc(NC(=O)C2CC[NH+](Cc3c(C)noc3C)CC2)no1 ZINC000028142101 401850446 /nfs/dbraw/zinc/85/04/46/401850446.db2.gz BWYMUJZQSKCAPC-UHFFFAOYSA-N 1 0 318.377 2.439 50 0 DEAARO C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000078405573 401850502 /nfs/dbraw/zinc/85/05/02/401850502.db2.gz PEHVYWUFYDLGIJ-HYVNUMGLSA-N 1 0 301.434 2.259 50 0 DEAARO CC(C)[N@H+](C)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000014950730 401814408 /nfs/dbraw/zinc/81/44/08/401814408.db2.gz HXNBZUUZJLKIGQ-QGZVFWFLSA-N 1 0 308.397 2.019 50 0 DEAARO Cc1nnc(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)s1 ZINC000040103485 401924437 /nfs/dbraw/zinc/92/44/37/401924437.db2.gz QJCREYVPZIDFFN-LBPRGKRZSA-N 1 0 311.455 2.479 50 0 DEAARO CC[NH+]1CCN(C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000032228902 401877765 /nfs/dbraw/zinc/87/77/65/401877765.db2.gz SMCAKLHEXDOSBZ-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/95/06/89/401950689.db2.gz RPMKNIASRCAZAK-UHFFFAOYSA-N 1 0 307.419 2.043 50 0 DEAARO O=C(NC1CC[NH+](C2CC2)CC1)c1n[nH]c(C2CC2)c1Cl ZINC000089598194 401953652 /nfs/dbraw/zinc/95/36/52/401953652.db2.gz AWHBZVAKQPCTCM-UHFFFAOYSA-N 1 0 308.813 2.297 50 0 DEAARO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cnns1 ZINC000089761685 401961177 /nfs/dbraw/zinc/96/11/77/401961177.db2.gz HKFVEUTXBVULNN-UHFFFAOYSA-N 1 0 304.419 2.179 50 0 DEAARO C[C@@H](C(=O)NCc1ccc(F)c(CO)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000089922767 401973794 /nfs/dbraw/zinc/97/37/94/401973794.db2.gz QOCRGVRAWMDRDJ-XQQFMLRXSA-N 1 0 308.397 2.196 50 0 DEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)o1 ZINC000136820610 401974553 /nfs/dbraw/zinc/97/45/53/401974553.db2.gz NAQNMVZZIVQEPB-LLVKDONJSA-N 1 0 312.797 2.164 50 0 DEAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000047147559 401979287 /nfs/dbraw/zinc/97/92/87/401979287.db2.gz CGPPFEICGIQHPX-HNNXBMFYSA-N 1 0 312.417 2.334 50 0 DEAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)CCO)cc2)n1 ZINC000048087921 401993618 /nfs/dbraw/zinc/99/36/18/401993618.db2.gz BDTHFPVNFFRDEC-UHFFFAOYSA-N 1 0 315.417 2.204 50 0 DEAARO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000089314044 401942236 /nfs/dbraw/zinc/94/22/36/401942236.db2.gz RXCTYZKFXNSTRR-OAGGEKHMSA-N 1 0 305.397 2.417 50 0 DEAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000044502222 401944130 /nfs/dbraw/zinc/94/41/30/401944130.db2.gz QMZSSSXTBMTYIO-SECBINFHSA-N 1 0 323.245 2.271 50 0 DEAARO CS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000089484413 401949805 /nfs/dbraw/zinc/94/98/05/401949805.db2.gz YBHGLGYUCFDSQG-UHFFFAOYSA-N 1 0 316.854 2.197 50 0 DEAARO Cc1nnc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000053753314 402059447 /nfs/dbraw/zinc/05/94/47/402059447.db2.gz SREYPDXZCOGBKL-SNVBAGLBSA-N 1 0 311.455 2.479 50 0 DEAARO COc1ccc(CC[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000050274403 402026249 /nfs/dbraw/zinc/02/62/49/402026249.db2.gz CQQOUSLFWVECTH-SFHVURJKSA-N 1 0 310.397 2.150 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000095350747 402026443 /nfs/dbraw/zinc/02/64/43/402026443.db2.gz FRLFZBTZDWPLSD-GFCCVEGCSA-N 1 0 320.414 2.193 50 0 DEAARO O=C(NCCCn1ccnc1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095357065 402026958 /nfs/dbraw/zinc/02/69/58/402026958.db2.gz UWRXDUWNTXVKMF-KRWDZBQOSA-N 1 0 312.417 2.170 50 0 DEAARO O=C(NCCCn1ccnc1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095357064 402027025 /nfs/dbraw/zinc/02/70/25/402027025.db2.gz UWRXDUWNTXVKMF-QGZVFWFLSA-N 1 0 312.417 2.170 50 0 DEAARO CC(C)[NH+]1CCC(C(=O)NCCCOc2cccnc2)CC1 ZINC000095357517 402027137 /nfs/dbraw/zinc/02/71/37/402027137.db2.gz JSYHRWQHLGKKJU-UHFFFAOYSA-N 1 0 305.422 2.087 50 0 DEAARO O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCc2[nH]cnc2C1 ZINC000095370205 402029134 /nfs/dbraw/zinc/02/91/34/402029134.db2.gz WLCOUOAIJNNJBM-OAHLLOKOSA-N 1 0 324.428 2.150 50 0 DEAARO CCCc1nnc(NCC2([NH+]3CCN(C)CC3)CCCCC2)o1 ZINC000095377252 402029668 /nfs/dbraw/zinc/02/96/68/402029668.db2.gz YRSKOQOJQICPNS-UHFFFAOYSA-N 1 0 321.469 2.384 50 0 DEAARO Cc1cccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)n1 ZINC000095379829 402030569 /nfs/dbraw/zinc/03/05/69/402030569.db2.gz XCQIFPIMIYBNCI-IEBWSBKVSA-N 1 0 310.397 2.361 50 0 DEAARO CN(C)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000095384651 402031312 /nfs/dbraw/zinc/03/13/12/402031312.db2.gz SSSBBOSLMZIOBK-HNNXBMFYSA-N 1 0 309.429 2.132 50 0 DEAARO CN(C(=O)C[NH3+])c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000095971126 402039248 /nfs/dbraw/zinc/03/92/48/402039248.db2.gz YTGGAAKOYPOLOR-GFCCVEGCSA-N 1 0 301.415 2.337 50 0 DEAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000095971172 402039263 /nfs/dbraw/zinc/03/92/63/402039263.db2.gz RUKUZHBSAQEXLX-KRWDZBQOSA-N 1 0 316.351 2.420 50 0 DEAARO CC1(C)NC(=O)N(CC[N@H+](Cc2cccc(F)c2)C2CC2)C1=O ZINC000052161769 402040570 /nfs/dbraw/zinc/04/05/70/402040570.db2.gz HFINVLIUSFRMPP-UHFFFAOYSA-N 1 0 319.380 2.121 50 0 DEAARO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1C(F)(F)F ZINC000095985439 402042715 /nfs/dbraw/zinc/04/27/15/402042715.db2.gz RWBRHJXNCRYCKC-LLVKDONJSA-N 1 0 316.323 2.215 50 0 DEAARO COc1c(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c(C)nn1C ZINC000095991166 402044038 /nfs/dbraw/zinc/04/40/38/402044038.db2.gz IONFSYZUBFHQPX-TVIZTDCDSA-N 1 0 323.437 2.149 50 0 DEAARO CC(C)N1CC[C@@H]([NH+]2CCC(CCCn3ccnc3)CC2)C1=O ZINC000096008651 402046581 /nfs/dbraw/zinc/04/65/81/402046581.db2.gz XPSNQIKIYSXUER-QGZVFWFLSA-N 1 0 318.465 2.385 50 0 DEAARO Cc1nn(C)c(C)c1/C=C\C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000096035484 402047384 /nfs/dbraw/zinc/04/73/84/402047384.db2.gz MSQMUDGPZLRIIK-KTKRTIGZSA-N 1 0 318.465 2.431 50 0 DEAARO C[C@H]([NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)C(N)=O ZINC000053084692 402050831 /nfs/dbraw/zinc/05/08/31/402050831.db2.gz NEMGRZFTLSKBAP-LBPRGKRZSA-N 1 0 302.349 2.368 50 0 fda DEAARO Cc1cccc(/C=C\C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000096054804 402052480 /nfs/dbraw/zinc/05/24/80/402052480.db2.gz RIANUNRWILABCF-XFHJGTJQSA-N 1 0 314.429 2.189 50 0 DEAARO [NH3+]C[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122419477 402077401 /nfs/dbraw/zinc/07/74/01/402077401.db2.gz KBEJWEVFAUQTKC-MRVPVSSYSA-N 1 0 301.159 2.009 50 0 DEAARO C[C@@H]1CN(C(=O)c2c(F)cccc2Br)C[C@@H](C)[NH2+]1 ZINC000122438347 402078223 /nfs/dbraw/zinc/07/82/23/402078223.db2.gz JGCGJVGKKNUWNF-RKDXNWHRSA-N 1 0 315.186 2.411 50 0 DEAARO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)N2CCCC[C@@H]12 ZINC000096429877 402085029 /nfs/dbraw/zinc/08/50/29/402085029.db2.gz YIPBUCAJKIYBKW-INIZCTEOSA-N 1 0 317.408 2.102 50 0 DEAARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1-c1ccncc1 ZINC000096435804 402086171 /nfs/dbraw/zinc/08/61/71/402086171.db2.gz ASDPVRVEAVJQOD-SFHVURJKSA-N 1 0 322.412 2.438 50 0 DEAARO CC[NH+]1CCN(c2ccc(C(=O)NCCCSC)cc2)CC1 ZINC000096436812 402086907 /nfs/dbraw/zinc/08/69/07/402086907.db2.gz DLKFKEDKPYEYSA-UHFFFAOYSA-N 1 0 321.490 2.311 50 0 DEAARO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@](C)(O)c1cnn(C)c1 ZINC000096478291 402093810 /nfs/dbraw/zinc/09/38/10/402093810.db2.gz NIRZWNMVRXCWRA-DYVFJYSZSA-N 1 0 305.397 2.378 50 0 DEAARO COc1ccc([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)cc1OC ZINC000122784468 402094531 /nfs/dbraw/zinc/09/45/31/402094531.db2.gz JSZWEVYKJAENHW-GFCCVEGCSA-N 1 0 306.406 2.365 50 0 DEAARO CCc1ccc([C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C(C)C)cc1 ZINC000057593933 402095541 /nfs/dbraw/zinc/09/55/41/402095541.db2.gz KOYRWHSUFQKNHT-DOMZBBRYSA-N 1 0 305.422 2.380 50 0 DEAARO CCOc1cccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000096489068 402095678 /nfs/dbraw/zinc/09/56/78/402095678.db2.gz AVNURYMNGXNOAF-MRXNPFEDSA-N 1 0 318.465 2.087 50 0 DEAARO Cc1nn(C[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000096499991 402096896 /nfs/dbraw/zinc/09/68/96/402096896.db2.gz DXJBGRUWBWGQSU-GFCCVEGCSA-N 1 0 316.243 2.047 50 0 DEAARO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1(C)C ZINC000097034802 402100572 /nfs/dbraw/zinc/10/05/72/402100572.db2.gz XSUUWLSUVMPNPQ-HUUCEWRRSA-N 1 0 317.495 2.241 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H](c1cccs1)N(C)C)CN2 ZINC000058428884 402100646 /nfs/dbraw/zinc/10/06/46/402100646.db2.gz KAVBEXNQIITJIV-KGLIPLIRSA-N 1 0 319.478 2.187 50 0 DEAARO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000097038971 402101284 /nfs/dbraw/zinc/10/12/84/402101284.db2.gz VTZGBBJFVHJVAG-QCZZGDTMSA-N 1 0 312.772 2.351 50 0 DEAARO Cc1ccc(CCNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000097049388 402102720 /nfs/dbraw/zinc/10/27/20/402102720.db2.gz XGQDMBUCGATYNH-IAGOWNOFSA-N 1 0 316.449 2.058 50 0 DEAARO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)Cn1cccn1 ZINC000097159969 402112977 /nfs/dbraw/zinc/11/29/77/402112977.db2.gz NKVZTFFDXXEEJO-AWEZNQCLSA-N 1 0 310.405 2.105 50 0 DEAARO C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000097164420 402113459 /nfs/dbraw/zinc/11/34/59/402113459.db2.gz KLUJDJXYVWULPU-HIFRSBDPSA-N 1 0 322.453 2.340 50 0 DEAARO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc(O)c1 ZINC000152906192 402115574 /nfs/dbraw/zinc/11/55/74/402115574.db2.gz NAZOYUYBSYBUPF-CYBMUJFWSA-N 1 0 314.385 2.348 50 0 DEAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000097202646 402116791 /nfs/dbraw/zinc/11/67/91/402116791.db2.gz TXMMATJBGSVBDC-KRWDZBQOSA-N 1 0 315.417 2.337 50 0 DEAARO C(c1noc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1)N1CCOCC1 ZINC000096150070 402062560 /nfs/dbraw/zinc/06/25/60/402062560.db2.gz CEBMULKSDMNAEH-CQSZACIVSA-N 1 0 320.437 2.024 50 0 DEAARO O=C(NCCSCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000096149241 402062806 /nfs/dbraw/zinc/06/28/06/402062806.db2.gz FXAOGGSJFXCJAT-HNNXBMFYSA-N 1 0 304.459 2.426 50 0 DEAARO Cc1nn(C)c2nc(N3CCC[C@@]4(CC[N@H+](C)C4)C3)sc12 ZINC000096164860 402063881 /nfs/dbraw/zinc/06/38/81/402063881.db2.gz KNMGDPMQRJCQNH-HNNXBMFYSA-N 1 0 305.451 2.260 50 0 DEAARO COc1ccc([C@H](O)C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000054173656 402063970 /nfs/dbraw/zinc/06/39/70/402063970.db2.gz GKHNXERXBFEPST-MRXNPFEDSA-N 1 0 315.369 2.290 50 0 DEAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC1CCCCC1 ZINC000054424078 402068118 /nfs/dbraw/zinc/06/81/18/402068118.db2.gz NTWRMPWAGRMPPY-UHFFFAOYSA-N 1 0 316.449 2.043 50 0 DEAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](Cc3nc4c(cnn4C)c(=O)[nH]3)[C@H]12 ZINC000065407743 402124583 /nfs/dbraw/zinc/12/45/83/402124583.db2.gz FSAUKUHLAZXYKW-LALPHHSUSA-N 1 0 315.421 2.470 50 0 DEAARO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000065521800 402125857 /nfs/dbraw/zinc/12/58/57/402125857.db2.gz WJUJGYRJFNKEIR-UHFFFAOYSA-N 1 0 318.465 2.274 50 0 DEAARO COc1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)[NH2+]3)OCCCO2 ZINC000097532434 402126788 /nfs/dbraw/zinc/12/67/88/402126788.db2.gz REQKBYUXOASQFI-CABCVRRESA-N 1 0 318.417 2.183 50 0 DEAARO c1cnn(Cc2ccccc2C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000097674162 402129087 /nfs/dbraw/zinc/12/90/87/402129087.db2.gz TWXCGDVUNIUWAP-UHFFFAOYSA-N 1 0 322.416 2.429 50 0 DEAARO O=C(C[C@@H]1COCC[NH2+]1)NCC(c1ccccc1)c1ccccc1 ZINC000097655367 402129268 /nfs/dbraw/zinc/12/92/68/402129268.db2.gz AGCGVCLXJDVAES-GOSISDBHSA-N 1 0 324.424 2.313 50 0 DEAARO C[NH+](C)[C@H]1CN(Cc2ccccc2OC2CCCC2)C[C@@H]1O ZINC000097711680 402131154 /nfs/dbraw/zinc/13/11/54/402131154.db2.gz SRBJAZHSUXFDEL-IRXDYDNUSA-N 1 0 304.434 2.115 50 0 DEAARO Fc1cccc(-c2nc3c([nH]2)CN(C2CC[NH2+]CC2)CC3)c1 ZINC000097743654 402131825 /nfs/dbraw/zinc/13/18/25/402131825.db2.gz YMXJZWHJGJVXLN-UHFFFAOYSA-N 1 0 300.381 2.326 50 0 DEAARO O=C(CCc1ccncc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097775859 402132719 /nfs/dbraw/zinc/13/27/19/402132719.db2.gz YBWFHNDAEHLINI-UHFFFAOYSA-N 1 0 319.474 2.054 50 0 DEAARO COc1cccc(OC)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000097377793 402123282 /nfs/dbraw/zinc/12/32/82/402123282.db2.gz KVRFKKBBRWXPDT-KGLIPLIRSA-N 1 0 318.417 2.260 50 0 DEAARO C[C@H]1C[NH+](Cc2ccccc2CNCc2cc[nH]n2)C[C@H](C)O1 ZINC000066990221 402149950 /nfs/dbraw/zinc/14/99/50/402149950.db2.gz QYWOUZJBKNLEGE-GJZGRUSLSA-N 1 0 314.433 2.309 50 0 DEAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@H](CNC(C)=O)C3)c(C)c2c1 ZINC000067966463 402180979 /nfs/dbraw/zinc/18/09/79/402180979.db2.gz DWVGNKHSTRRCQY-CQSZACIVSA-N 1 0 315.417 2.443 50 0 DEAARO CCC[NH+]1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000068047687 402183420 /nfs/dbraw/zinc/18/34/20/402183420.db2.gz UYXZOWOSLXGWOY-QGZVFWFLSA-N 1 0 306.450 2.071 50 0 DEAARO Cc1nc(-c2cc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)n(C)c2)cs1 ZINC000153637589 402159409 /nfs/dbraw/zinc/15/94/09/402159409.db2.gz LJBOBJFGJMTPPC-GHMZBOCLSA-N 1 0 318.446 2.279 50 0 DEAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)C(C)(C)C)[nH+]1 ZINC000067602115 402164144 /nfs/dbraw/zinc/16/41/44/402164144.db2.gz MUCNWUSTIPITIJ-UHFFFAOYSA-N 1 0 319.453 2.350 50 0 DEAARO CCCCC(=O)N1CCN(c2cc(NCC)[nH+]c(C)n2)CC1 ZINC000067622173 402165318 /nfs/dbraw/zinc/16/53/18/402165318.db2.gz SUXDUVFVVJBIFG-UHFFFAOYSA-N 1 0 305.426 2.056 50 0 DEAARO CCNc1nc(NCCNC(=O)c2cccc(F)c2)cc(C)[nH+]1 ZINC000067629720 402165978 /nfs/dbraw/zinc/16/59/78/402165978.db2.gz VNPWJPIESXIWNX-UHFFFAOYSA-N 1 0 317.368 2.198 50 0 DEAARO CCCCn1nc(-c2csc(C)n2)nc1[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000102583211 402167932 /nfs/dbraw/zinc/16/79/32/402167932.db2.gz RSLQCBLCYHEQIF-PJXYFTJBSA-N 1 0 303.435 2.443 50 0 DEAARO CC(C)C[NH+]1CCC(NCc2nc(-c3cccnc3)no2)CC1 ZINC000067713715 402169854 /nfs/dbraw/zinc/16/98/54/402169854.db2.gz WAPWYKKNRQMBTO-UHFFFAOYSA-N 1 0 315.421 2.342 50 0 DEAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1ccncn1 ZINC000067757431 402171967 /nfs/dbraw/zinc/17/19/67/402171967.db2.gz HVDCIONZZRQHQC-AWEZNQCLSA-N 1 0 314.389 2.102 50 0 DEAARO Cc1cc(N2Cc3cnc(C(C)(C)C)nc3C2)nc(N(C)C)[nH+]1 ZINC000067789474 402172220 /nfs/dbraw/zinc/17/22/20/402172220.db2.gz AXNCLKPRICDCPN-UHFFFAOYSA-N 1 0 312.421 2.459 50 0 DEAARO C[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000153885573 402177217 /nfs/dbraw/zinc/17/72/17/402177217.db2.gz ISLMPORNPUKMRS-QWRGUYRKSA-N 1 0 316.323 2.293 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(c2ccnc(-c3ccccc3)n2)C[C@@H]1C ZINC000106840003 402217497 /nfs/dbraw/zinc/21/74/97/402217497.db2.gz CGQMUTQSLZOPMH-GJZGRUSLSA-N 1 0 312.417 2.035 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000069351425 402219245 /nfs/dbraw/zinc/21/92/45/402219245.db2.gz PXFHRKMDJHCHHF-CYBMUJFWSA-N 1 0 304.312 2.005 50 0 DEAARO CCCCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000069374250 402220315 /nfs/dbraw/zinc/22/03/15/402220315.db2.gz WCRGMCZTEPTKQP-UHFFFAOYSA-N 1 0 304.434 2.450 50 0 DEAARO O=C(CCc1ccccn1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000069370871 402220449 /nfs/dbraw/zinc/22/04/49/402220449.db2.gz VEZWJWDEMGXFMU-UHFFFAOYSA-N 1 0 309.413 2.189 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1cn(C)nc1-c1ccncc1)n1cccn1 ZINC000069372366 402220533 /nfs/dbraw/zinc/22/05/33/402220533.db2.gz ZWUKVWYBQMBHHP-UONOGXRCSA-N 1 0 310.405 2.418 50 0 DEAARO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000069437116 402223451 /nfs/dbraw/zinc/22/34/51/402223451.db2.gz APDYKJZNWCQUKL-LSDHHAIUSA-N 1 0 304.438 2.303 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000069459663 402225362 /nfs/dbraw/zinc/22/53/62/402225362.db2.gz OQBUNGHQCDRKTD-CYBMUJFWSA-N 1 0 314.368 2.090 50 0 DEAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000069489513 402226360 /nfs/dbraw/zinc/22/63/60/402226360.db2.gz MFTYBCHTLZRWKO-UONOGXRCSA-N 1 0 321.446 2.334 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(N(C)C)c1 ZINC000069489669 402226453 /nfs/dbraw/zinc/22/64/53/402226453.db2.gz VRLAMPAXYNLVTO-HOTGVXAUSA-N 1 0 316.449 2.237 50 0 DEAARO CCS(=O)(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000069515501 402228080 /nfs/dbraw/zinc/22/80/80/402228080.db2.gz IIVZHIVWAGUCDK-UHFFFAOYSA-N 1 0 310.463 2.146 50 0 DEAARO c1cc2n(n1)C[C@H](C[NH2+]C1CCN(c3ccccc3)CC1)CN2 ZINC000069521298 402228821 /nfs/dbraw/zinc/22/88/21/402228821.db2.gz SZENFIQFAISFQF-OAHLLOKOSA-N 1 0 311.433 2.183 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+]C/C=C/c1ccccc1OC)CC2 ZINC000069621206 402234395 /nfs/dbraw/zinc/23/43/95/402234395.db2.gz FBNOCAQSFRWGGG-PMGBHYCQSA-N 1 0 312.417 2.467 50 0 DEAARO COC(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000069696427 402238333 /nfs/dbraw/zinc/23/83/33/402238333.db2.gz YLAWWHHRIPPVBX-INIZCTEOSA-N 1 0 316.401 2.174 50 0 DEAARO CC[C@H]1CN(c2ncnc3sccc32)CC[N@@H+]1CCOC ZINC000069779880 402244186 /nfs/dbraw/zinc/24/41/86/402244186.db2.gz LOIWMXKREFHDAW-LBPRGKRZSA-N 1 0 306.435 2.238 50 0 DEAARO O[C@@H](C[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1cc(F)ccc1F ZINC000069846498 402246786 /nfs/dbraw/zinc/24/67/86/402246786.db2.gz MHTKHHOMAYTMLY-LRDDRELGSA-N 1 0 322.359 2.002 50 0 DEAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 ZINC000069843273 402246892 /nfs/dbraw/zinc/24/68/92/402246892.db2.gz YPXVLNDREWWNPV-LBPRGKRZSA-N 1 0 316.453 2.213 50 0 DEAARO CC(C)c1cc(NC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)on1 ZINC000069902076 402250095 /nfs/dbraw/zinc/25/00/95/402250095.db2.gz XDTQBTLFEMXNIP-VXGBXAGGSA-N 1 0 305.382 2.172 50 0 DEAARO COCC[N@@H+]1CCN(CCCOc2cccc(C)c2)C[C@H]1C ZINC000070008431 402255142 /nfs/dbraw/zinc/25/51/42/402255142.db2.gz GOQHCOXKVMPREL-QGZVFWFLSA-N 1 0 306.450 2.416 50 0 DEAARO Cc1nn(C)cc1C(=O)NC[C@H](c1cccc(C)c1)[NH+](C)C ZINC000071576238 402275832 /nfs/dbraw/zinc/27/58/32/402275832.db2.gz YNBRJAQHUXXPAA-MRXNPFEDSA-N 1 0 300.406 2.070 50 0 DEAARO Cc1cc(C2CCC2)nc(NC[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000071771307 402277240 /nfs/dbraw/zinc/27/72/40/402277240.db2.gz CTSVPWSQUNEDPU-AWEZNQCLSA-N 1 0 304.438 2.169 50 0 DEAARO O=C(c1ccc[nH]c1=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000071820059 402281425 /nfs/dbraw/zinc/28/14/25/402281425.db2.gz MLTFWALOOSCKRS-UHFFFAOYSA-N 1 0 317.433 2.103 50 0 DEAARO CC(C)c1nc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)co1 ZINC000215341970 402283338 /nfs/dbraw/zinc/28/33/38/402283338.db2.gz QJTIRAMZVWELDD-MRXNPFEDSA-N 1 0 307.438 2.485 50 0 DEAARO CCOc1ccc2nc(C[N@@H+]3CCC(=O)NC[C@H]3C)ccc2c1 ZINC000215472773 402283349 /nfs/dbraw/zinc/28/33/49/402283349.db2.gz ZFRMYLYXZKEEEZ-CYBMUJFWSA-N 1 0 313.401 2.344 50 0 DEAARO C[C@H](O)c1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000071825328 402283415 /nfs/dbraw/zinc/28/34/15/402283415.db2.gz ZYJIMONDSLRCOM-AWEZNQCLSA-N 1 0 312.417 2.420 50 0 DEAARO FC(F)(F)Oc1ccccc1CN1CC(N2CCOCC2)C1 ZINC000215959161 402285289 /nfs/dbraw/zinc/28/52/89/402285289.db2.gz HGJXIIIPSPGNDN-UHFFFAOYSA-N 1 0 316.323 2.102 50 0 DEAARO O=C(CCc1ccc2c(c1)OCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839900 402287123 /nfs/dbraw/zinc/28/71/23/402287123.db2.gz OMJYFHWBWWVKMX-OAHLLOKOSA-N 1 0 316.401 2.045 50 0 DEAARO Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000071841087 402287537 /nfs/dbraw/zinc/28/75/37/402287537.db2.gz QNCRSGVCMYOKDB-MRXNPFEDSA-N 1 0 317.433 2.254 50 0 DEAARO COc1ccc([C@]2(C(=O)NCCc3c[nH]cn3)CC2(C)C)cc1 ZINC000216448622 402288369 /nfs/dbraw/zinc/28/83/69/402288369.db2.gz JDANWAPJKAYVGL-SFHVURJKSA-N 1 0 313.401 2.445 50 0 DEAARO CCOc1ccc(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000216434877 402288708 /nfs/dbraw/zinc/28/87/08/402288708.db2.gz LLRXZMAKULFMTP-KRWDZBQOSA-N 1 0 319.449 2.167 50 0 DEAARO O=C(C=C1CCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO 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C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000229738347 402344596 /nfs/dbraw/zinc/34/45/96/402344596.db2.gz NPTPICFHFYUPKI-ZNMIVQPWSA-N 1 0 321.421 2.283 50 0 DEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000227030151 402330386 /nfs/dbraw/zinc/33/03/86/402330386.db2.gz MUIQAHAXDLVVDL-AAEUAGOBSA-N 1 0 300.399 2.025 50 0 DEAARO Cc1nc(-c2cccc(NC(=O)[C@H](C[NH3+])c3ccccc3)c2)n[nH]1 ZINC000237822737 402422466 /nfs/dbraw/zinc/42/24/66/402422466.db2.gz NJFYLLSNXOPGRS-MRXNPFEDSA-N 1 0 321.384 2.461 50 0 DEAARO CCN1CC[N@H+](C[C@@H](OC)c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000239475356 402441571 /nfs/dbraw/zinc/44/15/71/402441571.db2.gz ANQRWWAMKDPFIF-DLBZAZTESA-N 1 0 314.433 2.476 50 0 DEAARO C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000241587802 402443507 /nfs/dbraw/zinc/44/35/07/402443507.db2.gz OXGYFCKJIOXWCT-AHCXZYCDSA-N 1 0 316.445 2.438 50 0 DEAARO CC(C)C[N@@H+]1CCCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000244748490 402448600 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CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)[C@H]1CC[NH2+]C1 ZINC000179109870 402573056 /nfs/dbraw/zinc/57/30/56/402573056.db2.gz AAFFPIPBQBAXGO-AWEZNQCLSA-N 1 0 318.808 2.019 50 0 DEAARO O[C@@H](COc1ccccc1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246353474 402526907 /nfs/dbraw/zinc/52/69/07/402526907.db2.gz JQIFEVWQKCCWBS-WBVHZDCISA-N 1 0 301.390 2.377 50 0 DEAARO COc1ccccc1C[C@@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000246662998 402540292 /nfs/dbraw/zinc/54/02/92/402540292.db2.gz DPSSECGOGNIJLU-KFWWJZLASA-N 1 0 304.434 2.473 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(C)c1Cl ZINC000248063571 402581405 /nfs/dbraw/zinc/58/14/05/402581405.db2.gz VOKZTRYSFOXSCG-QWHCGFSZSA-N 1 0 324.856 2.471 50 0 DEAARO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248805445 402608838 /nfs/dbraw/zinc/60/88/38/402608838.db2.gz BJMPCMUFCGRQKS-BHYGNILZSA-N 1 0 300.402 2.441 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1c(C)noc1C ZINC000249694260 402638511 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C[NH+](C)[C@H]1CCCN(CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000252488244 402655341 /nfs/dbraw/zinc/65/53/41/402655341.db2.gz IOCPBGARLDAINM-INIZCTEOSA-N 1 0 323.868 2.372 50 0 DEAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000253402755 402663408 /nfs/dbraw/zinc/66/34/08/402663408.db2.gz GQWHQYXMDMVYJE-UHFFFAOYSA-N 1 0 313.405 2.490 50 0 DEAARO COc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1OC ZINC000253406847 402664071 /nfs/dbraw/zinc/66/40/71/402664071.db2.gz JJHZVLJWDHAECB-OAHLLOKOSA-N 1 0 321.417 2.210 50 0 DEAARO O[C@H](C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000253430246 402666429 /nfs/dbraw/zinc/66/64/29/402666429.db2.gz XMHNNOMMFFDVQU-OLZOCXBDSA-N 1 0 323.742 2.243 50 0 DEAARO CC1=CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000253428254 402666574 /nfs/dbraw/zinc/66/65/74/402666574.db2.gz PUUUJDYHAWGZRS-SJORKVTESA-N 1 0 321.465 2.116 50 0 DEAARO CCCCn1nc(C)c(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)c1Cl ZINC000255004641 402674609 /nfs/dbraw/zinc/67/46/09/402674609.db2.gz BRIUAICFCZZGIE-CFHLNLSMSA-N 1 0 324.856 2.465 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)C1 ZINC000255226593 402682099 /nfs/dbraw/zinc/68/20/99/402682099.db2.gz UIOGLVYFVYQJTK-CXOKCQFOSA-N 1 0 310.401 2.096 50 0 DEAARO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)C1CC1 ZINC000195531563 402850694 /nfs/dbraw/zinc/85/06/94/402850694.db2.gz KNLZAKPDHVNUHH-IAGOWNOFSA-N 1 0 302.418 2.195 50 0 DEAARO C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000195558494 402850978 /nfs/dbraw/zinc/85/09/78/402850978.db2.gz DGRISPGISYBDGT-KBPBESRZSA-N 1 0 323.441 2.046 50 0 DEAARO C[N@@H+]1CCc2ncnc(SCCC(=O)OC(C)(C)C)c2C1 ZINC000281702902 403083409 /nfs/dbraw/zinc/08/34/09/403083409.db2.gz NVQXUEZQSFQIMD-UHFFFAOYSA-N 1 0 309.435 2.288 50 0 DEAARO COc1ccc([C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2N(C)C)cc1 ZINC000091575183 286363365 /nfs/dbraw/zinc/36/33/65/286363365.db2.gz XHIFZIDEIKCPBR-ZWKOTPCHSA-N 1 0 304.434 2.204 50 0 DEAARO c1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)nn1 ZINC000333429486 403750033 /nfs/dbraw/zinc/75/00/33/403750033.db2.gz KSTPTCDYBCFVMA-OAHLLOKOSA-N 1 0 314.389 2.277 50 0 DEAARO Cc1cc(NC(=O)[C@@H]2CCCCC(=O)N2)ccc1C[NH+](C)C ZINC000408520063 403823831 /nfs/dbraw/zinc/82/38/31/403823831.db2.gz WRGJAYYZEPQXOJ-HNNXBMFYSA-N 1 0 303.406 2.054 50 0 DEAARO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC2(CCC2)CC1 ZINC000367452245 405053807 /nfs/dbraw/zinc/05/38/07/405053807.db2.gz XYRGJMPKVSMQPV-INIZCTEOSA-N 1 0 306.450 2.423 50 0 DEAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2ncccn2)cc1 ZINC000426394570 405356996 /nfs/dbraw/zinc/35/69/96/405356996.db2.gz JZLBTMYOMSEKBU-INIZCTEOSA-N 1 0 310.401 2.358 50 0 DEAARO CCCN(Cc1nccn1C)C(=O)NC1CC[NH+](CCC)CC1 ZINC000426405531 405358173 /nfs/dbraw/zinc/35/81/73/405358173.db2.gz MOENOMUDXIOJEZ-UHFFFAOYSA-N 1 0 321.469 2.216 50 0 DEAARO Cc1n[nH]c(C)c1CCN(C)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426496836 405364693 /nfs/dbraw/zinc/36/46/93/405364693.db2.gz HPGCYFWMTIQGME-ZDUSSCGKSA-N 1 0 306.454 2.292 50 0 DEAARO CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000426544639 405368496 /nfs/dbraw/zinc/36/84/96/405368496.db2.gz CSIAFYJRQBLDLY-CYBMUJFWSA-N 1 0 315.421 2.241 50 0 DEAARO CCCN(Cc1nccn1C)c1cc([C@@H]2CCOC2)ncn1 ZINC000426589952 405370564 /nfs/dbraw/zinc/37/05/64/405370564.db2.gz JNXPVIYOGUEHAU-CYBMUJFWSA-N 1 0 301.394 2.131 50 0 DEAARO COc1ccc(C(=O)NCC2([NH3+])CCOCC2)c2ccccc12 ZINC000638538176 405535041 /nfs/dbraw/zinc/53/50/41/405535041.db2.gz KBTPWRQEZFBWEL-UHFFFAOYSA-N 1 0 314.385 2.086 50 0 DEAARO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@@H](c3ncc[nH]3)C2)C1=O ZINC000583651532 405779541 /nfs/dbraw/zinc/77/95/41/405779541.db2.gz OKPMZVDIMNESRT-ZIAGYGMSSA-N 1 0 304.438 2.236 50 0 DEAARO C[N@H+]1C[C@H]2CN(C[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000583651602 405781900 /nfs/dbraw/zinc/78/19/00/405781900.db2.gz PIXFKHCCTPXOBT-OWCLPIDISA-N 1 0 323.481 2.269 50 0 DEAARO CCCCOc1ncccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000585120947 405872485 /nfs/dbraw/zinc/87/24/85/405872485.db2.gz 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CCOCCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000048680571 424834716 /nfs/dbraw/zinc/83/47/16/424834716.db2.gz IWHCREOKNUIVCC-UHFFFAOYSA-N 1 0 303.362 2.322 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000048710717 424835103 /nfs/dbraw/zinc/83/51/03/424835103.db2.gz IKGRNLUUKYOYMV-UHFFFAOYSA-N 1 0 310.405 2.414 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]C/C=C\c1ccccc1OC)CC2 ZINC000104061245 424848918 /nfs/dbraw/zinc/84/89/18/424848918.db2.gz FBNOCAQSFRWGGG-LYASGUKUSA-N 1 0 312.417 2.467 50 0 DEAARO CCOC(=O)C1=C(C[NH2+][C@H]2CCCCC2(C)C)NC(=O)N[C@@H]1C ZINC000119835742 424852978 /nfs/dbraw/zinc/85/29/78/424852978.db2.gz IVJNLYXZSAYFLH-YPMHNXCESA-N 1 0 323.437 2.063 50 0 DEAARO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)C1 ZINC000108489851 424851361 /nfs/dbraw/zinc/85/13/61/424851361.db2.gz LGYBTJVCSSNMBT-BPUTZDHNSA-N 1 0 315.479 2.424 50 0 DEAARO COc1c(C)cnc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1C ZINC000077322929 274087797 /nfs/dbraw/zinc/08/77/97/274087797.db2.gz KKZBGIFFYZWDHB-UHFFFAOYSA-N 1 0 317.433 2.151 50 0 DEAARO COc1ccc2ccccc2c1C[N@H+]1CCc2nncn2CC1 ZINC000019741158 274141577 /nfs/dbraw/zinc/14/15/77/274141577.db2.gz SROBRSUNKBQPJH-UHFFFAOYSA-N 1 0 308.385 2.498 50 0 DEAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](Cc3nc4c(cnn4C)c(=O)[nH]3)[C@@H]12 ZINC000229188941 274295176 /nfs/dbraw/zinc/29/51/76/274295176.db2.gz FSAUKUHLAZXYKW-JMSVASOKSA-N 1 0 315.421 2.057 50 0 DEAARO O=C1Nc2ccccc2NC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000082157605 275026145 /nfs/dbraw/zinc/02/61/45/275026145.db2.gz SOWOYDYZVZTQHS-CYBMUJFWSA-N 1 0 301.390 2.064 50 0 DEAARO Brc1cncnc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097016696 275378214 /nfs/dbraw/zinc/37/82/14/275378214.db2.gz ZPLAERYVJQXBCJ-DMDPSCGWSA-N 1 0 323.238 2.160 50 0 DEAARO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236834661 275770152 /nfs/dbraw/zinc/77/01/52/275770152.db2.gz YLOMIBHDLOMCMJ-MNOVXSKESA-N 1 0 312.845 2.396 50 0 DEAARO CN1CC[C@@H](O)[C@H](C[NH+]2CCC3(C=Cc4ccccc43)CC2)C1 ZINC000020775505 277138790 /nfs/dbraw/zinc/13/87/90/277138790.db2.gz FPIKCTZKTJSCOD-PKOBYXMFSA-N 1 0 312.457 2.360 50 0 DEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000152578503 277315859 /nfs/dbraw/zinc/31/58/59/277315859.db2.gz VBRNTYHTTFDCGZ-CQSZACIVSA-N 1 0 311.470 2.053 50 0 DEAARO COc1cc2c(cc1C[NH2+][C@H](C)CN1CCCC1=O)O[C@@H](C)C2 ZINC000040153276 277391718 /nfs/dbraw/zinc/39/17/18/277391718.db2.gz HPWKUKCTWYLOFW-OLZOCXBDSA-N 1 0 318.417 2.119 50 0 DEAARO [NH3+]C1CCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC1 ZINC000237837229 295213911 /nfs/dbraw/zinc/21/39/11/295213911.db2.gz ZXQGXEOITOTJTK-QGZVFWFLSA-N 1 0 319.424 2.130 50 0 DEAARO Cc1ccc(CS(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000288975405 301590160 /nfs/dbraw/zinc/59/01/60/301590160.db2.gz XMMKJJJWFPTFHF-UHFFFAOYSA-N 1 0 310.463 2.289 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1Cl ZINC000097234996 332335567 /nfs/dbraw/zinc/33/55/67/332335567.db2.gz MFKQZWKWBPQLCL-NSHDSACASA-N 1 0 302.827 2.021 50 0 DEAARO COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000253431451 333771827 /nfs/dbraw/zinc/77/18/27/333771827.db2.gz HDIFYBISJXIFDI-QMMMGPOBSA-N 1 0 316.279 2.040 50 0 DEAARO CC[N@H+](C)C[C@H](C)CNC(=O)N1CC(Oc2cccc(C)c2)C1 ZINC000534590769 334293927 /nfs/dbraw/zinc/29/39/27/334293927.db2.gz LTQJRRJXWMVDCW-OAHLLOKOSA-N 1 0 319.449 2.355 50 0 DEAARO Cn1cncc1C[NH2+]C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000111389070 501024090 /nfs/dbraw/zinc/02/40/90/501024090.db2.gz SLERVSMEMODETD-UHFFFAOYSA-N 1 0 308.426 2.347 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccco2)C1 ZINC000089661883 517382880 /nfs/dbraw/zinc/38/28/80/517382880.db2.gz RTYQEGOOHRHHTM-MLGOLLRUSA-N 1 0 310.394 2.086 50 0 DEAARO C[C@@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)N1CCOC[C@H]1C ZINC000170041659 563902960 /nfs/dbraw/zinc/90/29/60/563902960.db2.gz RQWVXQOUPHLFNW-RPHLEKHZSA-N 1 0 324.490 2.184 50 0 DEAARO CCc1nc(C)c(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)[nH]1 ZINC000022913227 624857808 /nfs/dbraw/zinc/85/78/08/624857808.db2.gz QISRHAQKKWOHLB-INIZCTEOSA-N 1 0 322.497 2.195 50 0 DEAARO CCc1nc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)[nH]1 ZINC000022918442 624870674 /nfs/dbraw/zinc/87/06/74/624870674.db2.gz PZWWUTXWZQCCFH-HNNXBMFYSA-N 1 0 322.497 2.195 50 0 DEAARO Cc1ncsc1CC[NH2+][C@@H]1CCC(=O)N(CC2CC2)CC1 ZINC000952989409 635195833 /nfs/dbraw/zinc/19/58/33/635195833.db2.gz RYKSSUIIPQWIIE-CQSZACIVSA-N 1 0 307.463 2.375 50 0 DEAARO COc1ccc(C2=NO[C@H](C[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)C2)cc1F ZINC000895503806 638055593 /nfs/dbraw/zinc/05/55/93/638055593.db2.gz COGXFQNVFGKACI-YODMDTAWSA-N 1 0 322.380 2.483 50 0 DEAARO C[N@@H+]1CC[C@H](Oc2nccnc2N2CCc3ccccc3C2)C1 ZINC000169749212 646627482 /nfs/dbraw/zinc/62/74/82/646627482.db2.gz DVFKBUCUBUZLHQ-INIZCTEOSA-N 1 0 310.401 2.122 50 0 DEAARO O[C@H](COc1ccccc1)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173849569 646781954 /nfs/dbraw/zinc/78/19/54/646781954.db2.gz XKWZPCKAODJKGG-INIZCTEOSA-N 1 0 305.418 2.461 50 0 DEAARO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000850437660 647901881 /nfs/dbraw/zinc/90/18/81/647901881.db2.gz REUOCTSADSPKCO-BBRMVZONSA-N 1 0 307.390 2.038 50 0 DEAARO O=C(NCc1cccnc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175510970 648351354 /nfs/dbraw/zinc/35/13/54/648351354.db2.gz ASWBGLGEKSRFBT-UHFFFAOYSA-N 1 0 302.422 2.288 50 0 DEAARO O=C(CCN1CCCC1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000067971568 683925823 /nfs/dbraw/zinc/92/58/23/683925823.db2.gz ZPARVQGAFSFLPN-UHFFFAOYSA-N 1 0 315.417 2.233 50 0 DEAARO Cc1cc(C[C@H](C)Nc2cc(C3CC[NH2+]CC3)nc(C)n2)n[nH]1 ZINC000067885916 683926086 /nfs/dbraw/zinc/92/60/86/683926086.db2.gz ICJBSEXAQITEAV-NSHDSACASA-N 1 0 314.437 2.327 50 0 DEAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H](C)COC)c(OC)c1 ZINC000097987622 684055755 /nfs/dbraw/zinc/05/57/55/684055755.db2.gz VQZCIAAAAFEKKS-PKFHVXLBSA-N 1 0 309.406 2.093 50 0 DEAARO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(C)nc1N1CCCC1 ZINC000864096555 686619571 /nfs/dbraw/zinc/61/95/71/686619571.db2.gz FQWGXUIYMWBYBC-OAHLLOKOSA-N 1 0 305.422 2.231 50 0 DEAARO Cc1c(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cnn1C ZINC000585131933 790327955 /nfs/dbraw/zinc/32/79/55/790327955.db2.gz KCZJXSBLPDNYES-IRXDYDNUSA-N 1 0 312.417 2.038 50 0 DEAARO COc1ccc(-n2cccn2)c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000824629332 783602119 /nfs/dbraw/zinc/60/21/19/783602119.db2.gz FNEAIINPBXQEBT-AWEZNQCLSA-N 1 0 301.390 2.349 50 0 DEAARO O=C(Cn1cccc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827861500 783694281 /nfs/dbraw/zinc/69/42/81/783694281.db2.gz OMDOKNHYPSZVNX-AWEZNQCLSA-N 1 0 303.431 2.330 50 0 DEAARO CC[C@H](C)Cc1nc(-c2ccc(CC[NH3+])cc2)n(CCO)n1 ZINC000828778328 783850318 /nfs/dbraw/zinc/85/03/18/783850318.db2.gz GSTYICZYKKTQJF-ZDUSSCGKSA-N 1 0 302.422 2.027 50 0 DEAARO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)n1cc(Cl)cn1 ZINC000065383402 784598812 /nfs/dbraw/zinc/59/88/12/784598812.db2.gz KWKGVYVXTOLBNI-GFCCVEGCSA-N 1 0 310.829 2.184 50 0 DEAARO O=C(c1ccsc1)N1CCC2(CC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000581803641 784784698 /nfs/dbraw/zinc/78/46/98/784784698.db2.gz OYQCGDMEOBAIAW-HNNXBMFYSA-N 1 0 320.458 2.465 50 0 DEAARO CCn1cc(C(=O)N2CCC(n3c(C)c[nH+]c3C)CC2)cn1 ZINC000581809556 784786445 /nfs/dbraw/zinc/78/64/45/784786445.db2.gz OQIJCIIMJFPQRN-UHFFFAOYSA-N 1 0 301.394 2.194 50 0 DEAARO CC[NH+](CC)CC[C@H](CO)NC/C=C/c1ccccc1OC ZINC000585118520 789706378 /nfs/dbraw/zinc/70/63/78/789706378.db2.gz RVUPPZKUEMPUIG-SYJIQKIWSA-N 1 0 306.450 2.391 50 0 DEAARO CC(C)c1nc(CCNC(=O)C2([NH+]3CCCC3)CCCC2)no1 ZINC000952863757 792798626 /nfs/dbraw/zinc/79/86/26/792798626.db2.gz WBGYKINPOUSTDC-UHFFFAOYSA-N 1 0 320.437 2.260 50 0 DEAARO c1csc(-c2ncc(C[NH2+]CCSc3nc[nH]n3)cn2)c1 ZINC000952959797 792804692 /nfs/dbraw/zinc/80/46/92/792804692.db2.gz MWQAAKIQCCWJRD-UHFFFAOYSA-N 1 0 318.431 2.205 50 0 DEAARO Cc1n[nH]c(C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)c1Cl ZINC000952977644 792842424 /nfs/dbraw/zinc/84/24/24/792842424.db2.gz OFSHPZBOPWRNEM-NSHDSACASA-N 1 0 322.796 2.359 50 0 DEAARO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000952967916 792849193 /nfs/dbraw/zinc/84/91/93/792849193.db2.gz NGTYECIAHWLBGG-ZDUSSCGKSA-N 1 0 304.419 2.191 50 0 DEAARO CN1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)CC1=O ZINC000952991019 792872291 /nfs/dbraw/zinc/87/22/91/792872291.db2.gz YOXSMHSQZGWZEJ-OAHLLOKOSA-N 1 0 315.417 2.089 50 0 DEAARO O=C(NCCOc1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939046 799506910 /nfs/dbraw/zinc/50/69/10/799506910.db2.gz DJIBFNUWNLNQBW-UHFFFAOYSA-N 1 0 317.433 2.335 50 0 DEAARO CCc1cc(N[C@H](C)Cn2cccn2)nc(N2CCCC2)[nH+]1 ZINC001529101099 1070857321 /nfs/dbraw/zinc/85/73/21/1070857321.db2.gz ALABJPPIRZPUPU-CYBMUJFWSA-N 1 0 300.410 2.336 50 0 DEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]2O)[nH]n1 ZINC001529186406 1070907890 /nfs/dbraw/zinc/90/78/90/1070907890.db2.gz YOQKVRRGMOYJOF-RDTXWAMCSA-N 1 0 310.401 2.235 50 0 DEAARO C[C@H](CN(C)CCO)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001506398913 1061937825 /nfs/dbraw/zinc/93/78/25/1061937825.db2.gz HMERHVCEASCUEN-SNVBAGLBSA-N 1 0 308.319 2.247 50 0 DEAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCc2nnc3ccccn32)n1 ZINC001506398380 1061941313 /nfs/dbraw/zinc/94/13/13/1061941313.db2.gz PUZBPEYCQZRVDH-CQSZACIVSA-N 1 0 312.421 2.154 50 0 DEAARO O=C1CC[C@H]([NH+]2CCC3(CCCO3)CC2)CCN1CC1CC1 ZINC001506408821 1061949494 /nfs/dbraw/zinc/94/94/94/1061949494.db2.gz XRUCLEZLFRGQAY-INIZCTEOSA-N 1 0 306.450 2.423 50 0 DEAARO CCn1cncc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccoc2)C1 ZINC000823592558 1090688040 /nfs/dbraw/zinc/68/80/40/1090688040.db2.gz ZBTHNDAAPUVSOM-CQSZACIVSA-N 1 0 316.405 2.138 50 0 DEAARO O=C(Nc1ccc2[nH]ccc2c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000095507508 185375626 /nfs/dbraw/zinc/37/56/26/185375626.db2.gz JYXDTWGCVYLEJK-HOTGVXAUSA-N 1 0 314.389 2.153 50 0 DEAARO CN(C(=O)c1ccccn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000328586757 231232067 /nfs/dbraw/zinc/23/20/67/231232067.db2.gz FNCDDLFGMCMIFQ-UHFFFAOYSA-N 1 0 324.428 2.256 50 0 DEAARO CS[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CCS(=O)CC1 ZINC000090114314 185282830 /nfs/dbraw/zinc/28/28/30/185282830.db2.gz 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ZINC000095419925 185360027 /nfs/dbraw/zinc/36/00/27/185360027.db2.gz BYDCEFJTYVPZJF-HNNXBMFYSA-N 1 0 319.449 2.104 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 ZINC000095419607 185360058 /nfs/dbraw/zinc/36/00/58/185360058.db2.gz MQBZUUKCAYIVPN-IUCAKERBSA-N 1 0 307.337 2.189 50 0 DEAARO FC(F)CN1CCC([NH2+]Cc2ccc(-n3cccn3)nc2)CC1 ZINC000095419887 185360131 /nfs/dbraw/zinc/36/01/31/185360131.db2.gz KQSLRYYHNIYIED-UHFFFAOYSA-N 1 0 321.375 2.086 50 0 DEAARO CC[N@@H+]1CC[C@@H](NC(=O)N2CCOC3(CCCC3)C2)C[C@@H]1C ZINC000095422006 185360876 /nfs/dbraw/zinc/36/08/76/185360876.db2.gz WGHCPGOETHXROI-LSDHHAIUSA-N 1 0 309.454 2.214 50 0 DEAARO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCN2CCC2)C1 ZINC000095452892 185369485 /nfs/dbraw/zinc/36/94/85/185369485.db2.gz HXDIUSUVDCAHTC-OAHLLOKOSA-N 1 0 311.470 2.319 50 0 DEAARO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000097033323 185399735 /nfs/dbraw/zinc/39/97/35/185399735.db2.gz DHMCGEJNTJKJIN-OAHLLOKOSA-N 1 0 314.426 2.122 50 0 DEAARO 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COCC[NH2+]CC(=O)Nc1cccc(OC2CCCC2)c1C ZINC000195543428 356256110 /nfs/dbraw/zinc/25/61/10/356256110.db2.gz OVDBSCOPTRUJHO-UHFFFAOYSA-N 1 0 306.406 2.491 50 0 DEAARO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl ZINC000195544592 356256432 /nfs/dbraw/zinc/25/64/32/356256432.db2.gz CZGMKRKQSFLHSD-RISCZKNCSA-N 1 0 316.854 2.277 50 0 DEAARO CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000195554561 356256920 /nfs/dbraw/zinc/25/69/20/356256920.db2.gz SMOXBLZBRCNAPH-SJLPKXTDSA-N 1 0 304.434 2.176 50 0 DEAARO CCc1ccnc(C(=O)Nc2c[nH+]ccc2N2CCOCC2)c1 ZINC000195571036 356258154 /nfs/dbraw/zinc/25/81/54/356258154.db2.gz DVADQSLAQXKXSF-UHFFFAOYSA-N 1 0 312.373 2.128 50 0 DEAARO CC(C)(C)Sc1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)ccn1 ZINC000225470792 356276935 /nfs/dbraw/zinc/27/69/35/356276935.db2.gz BHUJNFHBLGNFMA-NWDGAFQWSA-N 1 0 311.426 2.288 50 0 DEAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccco1 ZINC000252672486 356335089 /nfs/dbraw/zinc/33/50/89/356335089.db2.gz 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[NH3+]C[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000670461299 540936951 /nfs/dbraw/zinc/93/69/51/540936951.db2.gz UEFFKXVIRJMTRT-VIFPVBQESA-N 1 0 302.205 2.484 50 0 DEAARO Cc1[nH]nc2c1CN([C@@H]1CCC(=O)N(Cc3ccccc3)C1)CC2 ZINC000670461315 540937136 /nfs/dbraw/zinc/93/71/36/540937136.db2.gz PMYYECWMBXNHNZ-MRXNPFEDSA-N 1 0 324.428 2.267 50 0 DEAARO O=C(NCc1cncn1C1CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000670470249 540938047 /nfs/dbraw/zinc/93/80/47/540938047.db2.gz IYCYTVUNLWJPLT-UHFFFAOYSA-N 1 0 314.389 2.337 50 0 DEAARO CCCc1ccc(OCCNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000670473083 540938757 /nfs/dbraw/zinc/93/87/57/540938757.db2.gz AHDBWTATVAJCIH-UHFFFAOYSA-N 1 0 319.449 2.317 50 0 DEAARO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1CC ZINC000193306140 201026364 /nfs/dbraw/zinc/02/63/64/201026364.db2.gz QKVJYANUKWAGAY-UHFFFAOYSA-N 1 0 310.463 2.402 50 0 DEAARO OC[C@@]1([NH2+]CCO[C@H]2CCCCO2)CCCc2ccccc21 ZINC000281471931 216325230 /nfs/dbraw/zinc/32/52/30/216325230.db2.gz BNKKIAGFTMEROW-ROUUACIJSA-N 1 0 305.418 2.343 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000246901389 202627513 /nfs/dbraw/zinc/62/75/13/202627513.db2.gz JRPYAEUXZJXMQC-BPNCWPANSA-N 1 0 323.234 2.360 50 0 DEAARO CC(=O)c1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(C)o3)C2)s1 ZINC000091594880 193078272 /nfs/dbraw/zinc/07/82/72/193078272.db2.gz BTSYTTUUEUKNJC-RYUDHWBXSA-N 1 0 318.398 2.419 50 0 DEAARO C[N@@H+]1CC[C@H]2C[NH+](C/C=C/c3ccc(F)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000092064747 193150858 /nfs/dbraw/zinc/15/08/58/193150858.db2.gz RIRFLUOLNQJVAP-YWWBLUBBSA-N 1 0 318.392 2.177 50 0 DEAARO COC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000092098876 193158861 /nfs/dbraw/zinc/15/88/61/193158861.db2.gz WBVSZDZJXWXAFK-XJKSGUPXSA-N 1 0 300.402 2.316 50 0 DEAARO COc1ccc(CNc2cc(C3CC([NH3+])C3)ncn2)cc1F ZINC000218987227 201546903 /nfs/dbraw/zinc/54/69/03/201546903.db2.gz VMYLSDGJOGNOMI-UHFFFAOYSA-N 1 0 302.353 2.441 50 0 DEAARO C[NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000252478738 202837760 /nfs/dbraw/zinc/83/77/60/202837760.db2.gz AUDYSBZVFAKOQN-GOSISDBHSA-N 1 0 314.385 2.129 50 0 DEAARO O=C1CCCN1C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000096441417 193646664 /nfs/dbraw/zinc/64/66/64/193646664.db2.gz HGMJUHYLSPHWKZ-UHFFFAOYSA-N 1 0 314.429 2.251 50 0 DEAARO C[C@@H](CNC(=O)c1ccnc2ccncc21)[N@@H+]1CCC[C@H](C)C1 ZINC000274889192 212011927 /nfs/dbraw/zinc/01/19/27/212011927.db2.gz LGUBLJNDEYAVAW-KBPBESRZSA-N 1 0 312.417 2.480 50 0 DEAARO COCCCNC(=O)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015855980 182021871 /nfs/dbraw/zinc/02/18/71/182021871.db2.gz XSKZEZVWNMDGLP-UHFFFAOYSA-N 1 0 320.433 2.060 50 0 DEAARO COCc1cn(C[C@H]2CCC[N@H+](Cc3ccsc3)C2)nn1 ZINC000020654173 182242081 /nfs/dbraw/zinc/24/20/81/182242081.db2.gz WOPBAJFQLAQZGY-ZDUSSCGKSA-N 1 0 306.435 2.398 50 0 DEAARO O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCCCC1 ZINC000021581885 182280675 /nfs/dbraw/zinc/28/06/75/182280675.db2.gz ZOQWNQVYVHKQHZ-QGZVFWFLSA-N 1 0 302.418 2.197 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000022024307 182304392 /nfs/dbraw/zinc/30/43/92/182304392.db2.gz OQMTVSPFKPWJNN-HNNXBMFYSA-N 1 0 309.385 2.304 50 0 DEAARO COc1ccccc1Cc1nc([C@H]2CCC[N@H+](C)C2)cc(=O)[nH]1 ZINC000023430809 182360885 /nfs/dbraw/zinc/36/08/85/182360885.db2.gz FFAMJHSWIUXPMW-AWEZNQCLSA-N 1 0 313.401 2.179 50 0 DEAARO COc1ccc(CC(=O)NCC[NH+](C(C)C)C(C)C)c(OC)c1 ZINC000023989906 182370806 /nfs/dbraw/zinc/37/08/06/182370806.db2.gz AISQETRBXWJYMK-UHFFFAOYSA-N 1 0 322.449 2.481 50 0 DEAARO Cc1cc(=O)oc2cc(OC[C@H](O)C[NH+]3CCCCC3)ccc12 ZINC000001522266 291659530 /nfs/dbraw/zinc/65/95/30/291659530.db2.gz MKIFEBNUPXZJLM-CQSZACIVSA-N 1 0 317.385 2.327 50 0 DEAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1sccc1C ZINC000040088620 183033002 /nfs/dbraw/zinc/03/30/02/183033002.db2.gz SFHZGSLIURBASS-UHFFFAOYSA-N 1 0 324.471 2.396 50 0 DEAARO CSCC[C@H]([NH3+])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000040464547 183071710 /nfs/dbraw/zinc/07/17/10/183071710.db2.gz LJXGPEUDAOHAEZ-JTQLQIEISA-N 1 0 309.460 2.335 50 0 DEAARO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[NH+](CC)CC1 ZINC000040465704 183072624 /nfs/dbraw/zinc/07/26/24/183072624.db2.gz OMWYWSDFOARTHV-UHFFFAOYSA-N 1 0 317.477 2.371 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccsc1 ZINC000040500871 183083401 /nfs/dbraw/zinc/08/34/01/183083401.db2.gz OUIUZHJXZURNDK-GOEBONIOSA-N 1 0 316.426 2.471 50 0 DEAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(C)C)CC1 ZINC000041578033 183206368 /nfs/dbraw/zinc/20/63/68/183206368.db2.gz MBTXAJOABXCPDG-UHFFFAOYSA-N 1 0 303.450 2.096 50 0 DEAARO Cc1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1C ZINC000041362336 183186566 /nfs/dbraw/zinc/18/65/66/183186566.db2.gz NBXVGZWGJFJJRX-UHFFFAOYSA-N 1 0 303.450 2.061 50 0 DEAARO C[C@H](CNC(=O)c1cncc(Br)c1)[NH+]1CCCC1 ZINC000042504383 183277709 /nfs/dbraw/zinc/27/77/09/183277709.db2.gz ZJCWBVDCOQDETF-SNVBAGLBSA-N 1 0 312.211 2.058 50 0 DEAARO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000042854837 183314263 /nfs/dbraw/zinc/31/42/63/183314263.db2.gz HZBILYCNNBZZLL-CYBMUJFWSA-N 1 0 316.323 2.386 50 0 DEAARO COc1cccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000104462638 194009098 /nfs/dbraw/zinc/00/90/98/194009098.db2.gz LJQARRQHHDPQLQ-QGZVFWFLSA-N 1 0 306.450 2.220 50 0 DEAARO CCOc1ccccc1CN1CC[N@H+](CC2CC2)C[C@H]1CCO ZINC000104519183 194012212 /nfs/dbraw/zinc/01/22/12/194012212.db2.gz NVYSGFFAUQBRPN-GOSISDBHSA-N 1 0 318.461 2.364 50 0 DEAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCO1)Cc1ccccc1 ZINC000047508370 183593672 /nfs/dbraw/zinc/59/36/72/183593672.db2.gz XMXFYRHXZPKAIO-DLBZAZTESA-N 1 0 304.434 2.235 50 0 DEAARO CCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000106800067 194255215 /nfs/dbraw/zinc/25/52/15/194255215.db2.gz JCQIGZZMCFIWQK-CYBMUJFWSA-N 1 0 324.856 2.480 50 0 DEAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc[n+]1[O-] ZINC000056331957 184010466 /nfs/dbraw/zinc/01/04/66/184010466.db2.gz LBLUYVOPKDRLMY-UHFFFAOYSA-N 1 0 311.385 2.211 50 0 DEAARO Cc1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)nc(N)[nH+]1 ZINC000057151273 184028736 /nfs/dbraw/zinc/02/87/36/184028736.db2.gz WVXSOMZOONWPQA-LBPRGKRZSA-N 1 0 301.369 2.445 50 0 DEAARO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2N2CCCC2)C1 ZINC000056752761 184018908 /nfs/dbraw/zinc/01/89/08/184018908.db2.gz HNMSXIKRFGGBHN-MRXNPFEDSA-N 1 0 316.449 2.180 50 0 DEAARO CCOc1cc(C[NH2+][C@@H]2CCCNC2=O)ccc1OC(F)F ZINC000058098825 184075066 /nfs/dbraw/zinc/07/50/66/184075066.db2.gz WQRXLNNNFZWENJ-LLVKDONJSA-N 1 0 314.332 2.055 50 0 DEAARO CCCCC[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000058176573 184084898 /nfs/dbraw/zinc/08/48/98/184084898.db2.gz XUJUFYSCNUXSKC-UHFFFAOYSA-N 1 0 305.378 2.220 50 0 DEAARO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000058213711 184088583 /nfs/dbraw/zinc/08/85/83/184088583.db2.gz QIBBYMHHOAVQCL-HNNXBMFYSA-N 1 0 317.433 2.039 50 0 DEAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)/C=C/c2cnn(C)c2)C1 ZINC000058379186 184110694 /nfs/dbraw/zinc/11/06/94/184110694.db2.gz YTDLXCNHLWQMEE-JRIJJQDJSA-N 1 0 318.465 2.306 50 0 DEAARO Cc1cccn2c(=O)cc(C[NH+]3CCC(c4cc[nH]n4)CC3)nc12 ZINC000058267380 184096999 /nfs/dbraw/zinc/09/69/99/184096999.db2.gz WCMWWSUJLDBVAO-UHFFFAOYSA-N 1 0 323.400 2.106 50 0 DEAARO COc1c(C[NH2+]CCn2c(C)nc3ccccc32)c(C)nn1C ZINC000058311011 184103473 /nfs/dbraw/zinc/10/34/73/184103473.db2.gz BKYYKMLAINMTIZ-UHFFFAOYSA-N 1 0 313.405 2.185 50 0 DEAARO CCCc1ccc([C@H](C)NC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000065394941 184334801 /nfs/dbraw/zinc/33/48/01/184334801.db2.gz VONRMRGWICDGGP-HNNXBMFYSA-N 1 0 303.450 2.112 50 0 DEAARO Cc1nc(N2CCCC2)nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000065395337 184334959 /nfs/dbraw/zinc/33/49/59/184334959.db2.gz STAXNBJXXPDYFU-CABCVRRESA-N 1 0 301.438 2.024 50 0 DEAARO C[NH+]1CCC(NC(=O)CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000065365024 184328754 /nfs/dbraw/zinc/32/87/54/184328754.db2.gz CVDFDTBTWANEEV-UHFFFAOYSA-N 1 0 323.396 2.010 50 0 DEAARO C[C@@H](CC(F)(F)F)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000065371409 184330038 /nfs/dbraw/zinc/33/00/38/184330038.db2.gz DLSQABSZNODKTR-VIFPVBQESA-N 1 0 315.295 2.033 50 0 DEAARO CC[N@H+](C)CCNC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 ZINC000065407586 184339296 /nfs/dbraw/zinc/33/92/96/184339296.db2.gz PMBFVTGXGWPELW-UHFFFAOYSA-N 1 0 312.826 2.473 50 0 DEAARO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000065457602 184348391 /nfs/dbraw/zinc/34/83/91/184348391.db2.gz ACBNVVQQEGEBIK-CQSZACIVSA-N 1 0 316.401 2.250 50 0 DEAARO CC(C)CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCCCCC1 ZINC000065488630 184353102 /nfs/dbraw/zinc/35/31/02/184353102.db2.gz RBIJUIKEWOWQKV-UHFFFAOYSA-N 1 0 306.454 2.281 50 0 DEAARO COCC(=O)N1CCC[N@H+](CC[C@H](C)c2ccccc2)CC1 ZINC000065508183 184356896 /nfs/dbraw/zinc/35/68/96/184356896.db2.gz QLBWGHVWZOZPLT-INIZCTEOSA-N 1 0 304.434 2.361 50 0 DEAARO O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](n2cccn2)C1 ZINC000065624405 184375252 /nfs/dbraw/zinc/37/52/52/184375252.db2.gz ORMCMVSVKYAAIL-INIZCTEOSA-N 1 0 304.438 2.313 50 0 DEAARO CCC[NH+]1CCC(Cc2noc(-c3ccnc(N)c3)n2)CC1 ZINC000067740992 184483850 /nfs/dbraw/zinc/48/38/50/184483850.db2.gz JHHHMNVPCGBFIA-UHFFFAOYSA-N 1 0 301.394 2.378 50 0 DEAARO C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)[C@H]1C[NH3+] ZINC000156596917 197126415 /nfs/dbraw/zinc/12/64/15/197126415.db2.gz GGEUMBACVIOAAL-LGVMCUBASA-N 1 0 316.401 2.057 50 0 DEAARO COC[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1nccs1 ZINC000244794884 285253867 /nfs/dbraw/zinc/25/38/67/285253867.db2.gz QVPDYWWQIWPKFS-ZDUSSCGKSA-N 1 0 320.418 2.186 50 0 DEAARO OCC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015083788 285261042 /nfs/dbraw/zinc/26/10/42/285261042.db2.gz DDLQEBRFMFRAMY-UHFFFAOYSA-N 1 0 301.342 2.076 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000262625977 257237936 /nfs/dbraw/zinc/23/79/36/257237936.db2.gz LCEXVUASRCQHOV-LNLATYFQSA-N 1 0 317.216 2.270 50 0 DEAARO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270685138 257238085 /nfs/dbraw/zinc/23/80/85/257238085.db2.gz SVDVFMVREYPTLI-JKIFEVAISA-N 1 0 302.418 2.355 50 0 DEAARO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)NC2CCCCC2)cn1 ZINC000071797259 184845221 /nfs/dbraw/zinc/84/52/21/184845221.db2.gz URAIKKWRFJOZKZ-INIZCTEOSA-N 1 0 304.438 2.396 50 0 DEAARO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000121584542 195311614 /nfs/dbraw/zinc/31/16/14/195311614.db2.gz JDDJDOGZPFXQKU-IXDOHACOSA-N 1 0 302.418 2.101 50 0 DEAARO COc1cc(F)c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000121808264 195351549 /nfs/dbraw/zinc/35/15/49/195351549.db2.gz SKXFIQJNFIJILN-GWCFXTLKSA-N 1 0 310.369 2.185 50 0 DEAARO CCn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(c2nc(C)no2)C1 ZINC000685940446 542768929 /nfs/dbraw/zinc/76/89/29/542768929.db2.gz AEMKQKJJZAJXQA-YOEHRIQHSA-N 1 0 315.421 2.191 50 0 DEAARO CCOC(=O)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)Cc1ccccc1 ZINC000685944836 542769232 /nfs/dbraw/zinc/76/92/32/542769232.db2.gz BNWKZAUJKQBDBF-XIRDDKMYSA-N 1 0 305.418 2.423 50 0 DEAARO COc1ccnc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1OC ZINC000190408719 145042080 /nfs/dbraw/zinc/04/20/80/145042080.db2.gz GBVZFYALRWMURL-GFCCVEGCSA-N 1 0 302.378 2.202 50 0 DEAARO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccnc2OC)C1 ZINC000193326295 145085154 /nfs/dbraw/zinc/08/51/54/145085154.db2.gz JQVXRBWPFPOJRZ-ZDUSSCGKSA-N 1 0 301.394 2.081 50 0 DEAARO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000006937551 401734531 /nfs/dbraw/zinc/73/45/31/401734531.db2.gz CUXCKSIMWNVHKG-VBNZEHGJSA-N 1 0 313.825 2.235 50 0 DEAARO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000007728809 401743433 /nfs/dbraw/zinc/74/34/33/401743433.db2.gz NEBWHBOTGJTJJJ-UHFFFAOYSA-N 1 0 310.463 2.228 50 0 DEAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1)C1=CCCCC1 ZINC000071875136 401690399 /nfs/dbraw/zinc/69/03/99/401690399.db2.gz XRAPQQYORHGPLH-INIZCTEOSA-N 1 0 317.437 2.049 50 0 DEAARO O[C@@H](C[NH2+]CCn1cccn1)c1ccc(OC(F)(F)F)cc1 ZINC000071877182 401690957 /nfs/dbraw/zinc/69/09/57/401690957.db2.gz AWCHZNSYMQJWGA-ZDUSSCGKSA-N 1 0 315.295 2.105 50 0 DEAARO CCN1C[C@@H](CN(C)c2cc(C)[nH+]c(N)n2)Oc2ccccc21 ZINC000071886827 401692108 /nfs/dbraw/zinc/69/21/08/401692108.db2.gz JMGGOGORHANDPK-CYBMUJFWSA-N 1 0 313.405 2.091 50 0 DEAARO CC1(C)CC(NS(=O)(=O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000000384608 401696305 /nfs/dbraw/zinc/69/63/05/401696305.db2.gz USVMHFMJFLWQMJ-UHFFFAOYSA-N 1 0 314.426 2.413 50 0 DEAARO O=C(CC1=CCCCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071914477 401696717 /nfs/dbraw/zinc/69/67/17/401696717.db2.gz HSAJOBQZGMCJRD-MRXNPFEDSA-N 1 0 306.450 2.494 50 0 DEAARO Cc1cc(C)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)c(C)c1 ZINC000000422484 401697772 /nfs/dbraw/zinc/69/77/72/401697772.db2.gz QDDNIMNAOPPBSR-UHFFFAOYSA-N 1 0 317.418 2.297 50 0 DEAARO C[NH+](C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000545960 401700507 /nfs/dbraw/zinc/70/05/07/401700507.db2.gz OEHLTMGFSCJGHR-KBPBESRZSA-N 1 0 316.854 2.491 50 0 DEAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)c1 ZINC000072269931 401705077 /nfs/dbraw/zinc/70/50/77/401705077.db2.gz YFTAVNPEKKCXIB-KBPBESRZSA-N 1 0 320.462 2.451 50 0 DEAARO Nc1ccc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCC2)cn1 ZINC000072417978 401709772 /nfs/dbraw/zinc/70/97/72/401709772.db2.gz JBFNLCPSIGGHLH-CABCVRRESA-N 1 0 302.422 2.237 50 0 DEAARO CCOC(=O)C[C@H]([NH3+])c1ccc(I)cc1 ZINC000002553906 401714677 /nfs/dbraw/zinc/71/46/77/401714677.db2.gz YHXJVYHUCPESGQ-JTQLQIEISA-N 1 0 319.142 2.244 50 0 DEAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000002630963 401715722 /nfs/dbraw/zinc/71/57/22/401715722.db2.gz ZWKJUCDJQFBPCW-AEFFLSMTSA-N 1 0 323.433 2.074 50 0 DEAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N1CCOCC1 ZINC000002656745 401716610 /nfs/dbraw/zinc/71/66/10/401716610.db2.gz NPVGVDAJUUZGJP-HNNXBMFYSA-N 1 0 317.433 2.336 50 0 DEAARO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000014202085 401808734 /nfs/dbraw/zinc/80/87/34/401808734.db2.gz XKHTVJNKMBOGHU-CZUORRHYSA-N 1 0 321.417 2.369 50 0 DEAARO CC(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1c1ccc(C)cc1 ZINC000077287613 401809074 /nfs/dbraw/zinc/80/90/74/401809074.db2.gz ALZAYPPEQRPMAP-ZWKOTPCHSA-N 1 0 302.418 2.078 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]CCO[C@H]1CCCC[C@@H]1C)CC2 ZINC000075131598 401750823 /nfs/dbraw/zinc/75/08/23/401750823.db2.gz HSTFBVINJUWMGD-BPUTZDHNSA-N 1 0 306.454 2.334 50 0 DEAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000008750787 401756204 /nfs/dbraw/zinc/75/62/04/401756204.db2.gz PCVPRQZHLVIYMB-IYXRBSQSSA-N 1 0 306.406 2.305 50 0 DEAARO CC1(C)NC(=[NH2+])NC(=N)N1OCc1cc(Cl)ccc1Cl ZINC000075260646 401756547 /nfs/dbraw/zinc/75/65/47/401756547.db2.gz WKDNHTRMTBQPAF-UHFFFAOYSA-N 1 0 316.192 2.106 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2C=C(O)NC(Nc3ccccc3)=[NH+]2)cc1 ZINC000009192413 401759903 /nfs/dbraw/zinc/75/99/03/401759903.db2.gz CZYKKXYLAGRQFX-HNNXBMFYSA-N 1 0 322.368 2.290 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000009483983 401762961 /nfs/dbraw/zinc/76/29/61/401762961.db2.gz HGGAARQHRLEHJW-STQMWFEESA-N 1 0 304.390 2.009 50 0 DEAARO CC[NH+](CC)CCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000009659619 401764907 /nfs/dbraw/zinc/76/49/07/401764907.db2.gz ACVRKJFWYSGKRX-HNNXBMFYSA-N 1 0 319.449 2.102 50 0 DEAARO COc1ccc(OC[C@@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000077323735 401809972 /nfs/dbraw/zinc/80/99/72/401809972.db2.gz XITAPRKCRUDIKR-CYBMUJFWSA-N 1 0 306.406 2.050 50 0 DEAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](CCO)C1 ZINC000012075586 401778953 /nfs/dbraw/zinc/77/89/53/401778953.db2.gz RTPQLNSIQOZCPZ-GOSISDBHSA-N 1 0 321.417 2.093 50 0 DEAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)n(C)n1 ZINC000012297553 401782614 /nfs/dbraw/zinc/78/26/14/401782614.db2.gz NMJTVDUUVUUJRR-GOSISDBHSA-N 1 0 316.449 2.067 50 0 DEAARO C[NH+](C)CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000012435276 401785591 /nfs/dbraw/zinc/78/55/91/401785591.db2.gz CQXWKECDRLLMOE-UHFFFAOYSA-N 1 0 321.327 2.330 50 0 DEAARO C/C=C(\C)CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012430146 401785963 /nfs/dbraw/zinc/78/59/63/401785963.db2.gz VDOZPJABXLKLOR-HZRBCOPISA-N 1 0 319.493 2.408 50 0 DEAARO CSCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccnc2)C1 ZINC000012454730 401786546 /nfs/dbraw/zinc/78/65/46/401786546.db2.gz CIQWDWYNKGUKEY-AWEZNQCLSA-N 1 0 307.463 2.277 50 0 DEAARO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000012600585 401788952 /nfs/dbraw/zinc/78/89/52/401788952.db2.gz ACSMDUIFFCDHPA-RBUKOAKNSA-N 1 0 317.429 2.332 50 0 DEAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2cnc3ccccc3n2)C1 ZINC000077553667 401819990 /nfs/dbraw/zinc/81/99/90/401819990.db2.gz QZFVHNIRTPVKFH-SFHVURJKSA-N 1 0 312.417 2.057 50 0 DEAARO CC[NH+](CC)CCN1CNC(=S)N(c2ccccc2OC)C1 ZINC000022933477 401827096 /nfs/dbraw/zinc/82/70/96/401827096.db2.gz NBCOXONDCOLSMW-UHFFFAOYSA-N 1 0 322.478 2.360 50 0 DEAARO NC(=O)c1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000025910557 401837868 /nfs/dbraw/zinc/83/78/68/401837868.db2.gz WBNATDFDJDQCAW-UHFFFAOYSA-N 1 0 323.396 2.172 50 0 DEAARO C[C@H]1C[C@H](C)[N@H+](CCCNC(=O)CN2CCCC2=O)C(C)(C)C1 ZINC000027757267 401847424 /nfs/dbraw/zinc/84/74/24/401847424.db2.gz QQTBNLWQBVBBBG-GJZGRUSLSA-N 1 0 323.481 2.014 50 0 DEAARO CNc1snc(C)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028071040 401849868 /nfs/dbraw/zinc/84/98/68/401849868.db2.gz PPDUXCNCHXPALW-UHFFFAOYSA-N 1 0 310.467 2.345 50 0 DEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C3CC3)C2=O)cc1 ZINC000014963900 401814622 /nfs/dbraw/zinc/81/46/22/401814622.db2.gz GWRWJDVOIFWIKJ-IBGZPJMESA-N 1 0 316.445 2.416 50 0 DEAARO CC(C)CC[N@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000014992800 401814842 /nfs/dbraw/zinc/81/48/42/401814842.db2.gz OQCCKRMRECMPAY-CQSZACIVSA-N 1 0 321.469 2.016 50 0 DEAARO Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)[nH]n1 ZINC000015062288 401815267 /nfs/dbraw/zinc/81/52/67/401815267.db2.gz SHJMPVGPSBTTPT-CQSZACIVSA-N 1 0 316.380 2.252 50 0 DEAARO CC[C@H](C)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000041577396 401929602 /nfs/dbraw/zinc/92/96/02/401929602.db2.gz WJILHJZSDHYBDA-HNNXBMFYSA-N 1 0 303.450 2.096 50 0 DEAARO Cc1noc(C)c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032729432 401881925 /nfs/dbraw/zinc/88/19/25/401881925.db2.gz YTGDSBYBBLKKRM-AWEZNQCLSA-N 1 0 305.353 2.463 50 0 DEAARO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000032922978 401886614 /nfs/dbraw/zinc/88/66/14/401886614.db2.gz YBEFRZPFLRONRC-GFCCVEGCSA-N 1 0 317.437 2.045 50 0 DEAARO Cc1cc(N2CCC(c3nccn3CC3CC3)CC2)nc(N)[nH+]1 ZINC000082092241 401899915 /nfs/dbraw/zinc/89/99/15/401899915.db2.gz KDKMXKQFOMLHDY-UHFFFAOYSA-N 1 0 312.421 2.358 50 0 DEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)NC(C)(C)C)cc2C1 ZINC000082156233 401899932 /nfs/dbraw/zinc/89/99/32/401899932.db2.gz WSBIIEWHVWXAPV-UHFFFAOYSA-N 1 0 321.469 2.343 50 0 DEAARO C[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000118564577 401900792 /nfs/dbraw/zinc/90/07/92/401900792.db2.gz ZCBRQCDGKDADTF-HIFRSBDPSA-N 1 0 311.470 2.221 50 0 DEAARO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000036296761 401904014 /nfs/dbraw/zinc/90/40/14/401904014.db2.gz JLVUCMGDQJJUDZ-UHFFFAOYSA-N 1 0 302.827 2.008 50 0 DEAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000085468097 401916848 /nfs/dbraw/zinc/91/68/48/401916848.db2.gz GTKFZMYSOMHOQU-MRXNPFEDSA-N 1 0 321.509 2.441 50 0 DEAARO Cc1nc(Cl)ccc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000089536890 401951406 /nfs/dbraw/zinc/95/14/06/401951406.db2.gz QWUWBGIBXMVXJN-UHFFFAOYSA-N 1 0 307.785 2.054 50 0 DEAARO COCC[NH+]1CCC(CNC(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC000089580410 401952332 /nfs/dbraw/zinc/95/23/32/401952332.db2.gz HDIOIBLFBCLJQQ-AWEZNQCLSA-N 1 0 322.449 2.475 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2oc1=O ZINC000048304214 401997918 /nfs/dbraw/zinc/99/79/18/401997918.db2.gz KYYILKGYMCNFGM-ZDUSSCGKSA-N 1 0 300.358 2.007 50 0 DEAARO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000089905494 401972805 /nfs/dbraw/zinc/97/28/05/401972805.db2.gz FAHXYRCMURWCTB-HUUCEWRRSA-N 1 0 304.434 2.489 50 0 DEAARO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)NC1CCC(C)CC1 ZINC000089922635 401973594 /nfs/dbraw/zinc/97/35/94/401973594.db2.gz SGOLMYORLCTRJY-PYBGIAKNSA-N 1 0 318.465 2.434 50 0 DEAARO C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000089941186 401975737 /nfs/dbraw/zinc/97/57/37/401975737.db2.gz CKDXTZZJBWUBGJ-GDBMZVCRSA-N 1 0 301.434 2.195 50 0 DEAARO CCC(=O)c1ccc(OCC(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000044670911 401946629 /nfs/dbraw/zinc/94/66/29/401946629.db2.gz XWWXOEQHVHCDLT-HNNXBMFYSA-N 1 0 318.417 2.259 50 0 DEAARO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000119399343 401947332 /nfs/dbraw/zinc/94/73/32/401947332.db2.gz JHRZMWQUTBVALW-CABCVRRESA-N 1 0 311.470 2.460 50 0 DEAARO CC[C@H]1CN(C(=O)Cn2cc(Cl)c(C)n2)CC[N@@H+]1C(C)C ZINC000095357933 402027632 /nfs/dbraw/zinc/02/76/32/402027632.db2.gz JTOIHBDBWBUSAA-ZDUSSCGKSA-N 1 0 312.845 2.176 50 0 DEAARO CCn1nc(C)c(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000095371520 402028882 /nfs/dbraw/zinc/02/88/82/402028882.db2.gz MWPDJVRLYCYSCF-MRXNPFEDSA-N 1 0 320.481 2.443 50 0 DEAARO Cc1cccc([C@@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C)c1 ZINC000095376052 402029865 /nfs/dbraw/zinc/02/98/65/402029865.db2.gz UZGVZFBJTFFTCH-INIZCTEOSA-N 1 0 305.466 2.302 50 0 DEAARO Cc1noc(CN(C)C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000095382605 402030375 /nfs/dbraw/zinc/03/03/75/402030375.db2.gz ISBWGHIPGZYJTL-LSDHHAIUSA-N 1 0 320.437 2.381 50 0 DEAARO Cc1oncc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095379805 402030430 /nfs/dbraw/zinc/03/04/30/402030430.db2.gz PPDIJMVVCWVKNW-HUUCEWRRSA-N 1 0 303.406 2.320 50 0 DEAARO Cc1cc(C)nc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000095381962 402030507 /nfs/dbraw/zinc/03/05/07/402030507.db2.gz CJWOKIBTGWZANV-OAHLLOKOSA-N 1 0 304.438 2.017 50 0 DEAARO CCOc1ncccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095384802 402031428 /nfs/dbraw/zinc/03/14/28/402031428.db2.gz AJYVEMJGVHALDG-HNNXBMFYSA-N 1 0 305.422 2.361 50 0 DEAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](CO)c2ccccc2)CC1 ZINC000095388107 402031792 /nfs/dbraw/zinc/03/17/92/402031792.db2.gz GESLMPCOXCOEBM-KRWDZBQOSA-N 1 0 304.434 2.347 50 0 DEAARO O[C@@H](COc1ccc(F)cc1)CN1CCC([NH+]2CCCC2)CC1 ZINC000051924683 402037618 /nfs/dbraw/zinc/03/76/18/402037618.db2.gz VTEQUOQXCATGIS-QGZVFWFLSA-N 1 0 322.424 2.126 50 0 DEAARO CCCc1noc([C@H](C)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959570 402037849 /nfs/dbraw/zinc/03/78/49/402037849.db2.gz OUQWMYIKBHIWOV-AWEZNQCLSA-N 1 0 322.453 2.127 50 0 DEAARO C[C@@H](CC[NH+]1CCCC1)NC(=O)N1CCOC2(CCCC2)C1 ZINC000095970007 402038526 /nfs/dbraw/zinc/03/85/26/402038526.db2.gz LFVXQFQDPKCNOW-HNNXBMFYSA-N 1 0 309.454 2.215 50 0 DEAARO CC(C)c1nn(C)c2sc(C(=O)N3CCC([NH3+])CC3)cc12 ZINC000095971443 402039396 /nfs/dbraw/zinc/03/93/96/402039396.db2.gz RMEYITXKDKGTKZ-UHFFFAOYSA-N 1 0 306.435 2.322 50 0 DEAARO OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000095973117 402039935 /nfs/dbraw/zinc/03/99/35/402039935.db2.gz HFMFLDYPEACCQJ-BXUZGUMPSA-N 1 0 314.223 2.329 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000095982668 402042197 /nfs/dbraw/zinc/04/21/97/402042197.db2.gz DEXSYIVQVAQZQK-DZGCQCFKSA-N 1 0 312.417 2.471 50 0 DEAARO CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000095996286 402044960 /nfs/dbraw/zinc/04/49/60/402044960.db2.gz IYHYLFRRTIHXHO-HZPDHXFCSA-N 1 0 306.406 2.113 50 0 DEAARO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC=CC1 ZINC000096007051 402046141 /nfs/dbraw/zinc/04/61/41/402046141.db2.gz DUXDIXQHWMUYOB-SFHVURJKSA-N 1 0 314.429 2.226 50 0 DEAARO CCc1oc(C(=O)NCCc2c[nH]cn2)cc1C[NH+](CC)CC ZINC000055119270 402076009 /nfs/dbraw/zinc/07/60/09/402076009.db2.gz AYZPZZPLAZJVHW-UHFFFAOYSA-N 1 0 318.421 2.379 50 0 DEAARO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000096319200 402077318 /nfs/dbraw/zinc/07/73/18/402077318.db2.gz PGEIZJSFZFELLW-HZPDHXFCSA-N 1 0 302.418 2.377 50 0 DEAARO C[NH+](C)C1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000096410145 402079524 /nfs/dbraw/zinc/07/95/24/402079524.db2.gz YKLLPGIKQNHEFV-CQSZACIVSA-N 1 0 302.418 2.495 50 0 DEAARO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cccnc1 ZINC000096414989 402081065 /nfs/dbraw/zinc/08/10/65/402081065.db2.gz HMIKACHCIPHOTE-UHFFFAOYSA-N 1 0 310.445 2.336 50 0 DEAARO Cc1cccnc1[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000096424391 402083189 /nfs/dbraw/zinc/08/31/89/402083189.db2.gz APALGGGJXPQKDZ-BFYDXBDKSA-N 1 0 319.449 2.313 50 0 DEAARO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000096428769 402084577 /nfs/dbraw/zinc/08/45/77/402084577.db2.gz WCAKSJADHQNCDX-DMIOIOJGSA-N 1 0 308.447 2.261 50 0 DEAARO CC[N@@H+](Cc1cc(=O)c(O)co1)C[C@@H](O)c1ccc(C)cc1 ZINC000096441675 402087610 /nfs/dbraw/zinc/08/76/10/402087610.db2.gz UZPUWOWQUOLNRX-MRXNPFEDSA-N 1 0 303.358 2.209 50 0 DEAARO CN(C)c1ccncc1C[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000096502942 402098002 /nfs/dbraw/zinc/09/80/02/402098002.db2.gz NAAGNBPWJITHCT-IBGZPJMESA-N 1 0 311.429 2.461 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@]2(O)CCOC2)C[C@H]1OCc1ccccc1 ZINC000097036993 402101432 /nfs/dbraw/zinc/10/14/32/402101432.db2.gz NAKIHMOHGQIKJI-JFIYKMOQSA-N 1 0 305.418 2.111 50 0 DEAARO COC(=O)C1CCN(CCC[NH+]2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000097048462 402103145 /nfs/dbraw/zinc/10/31/45/402103145.db2.gz BQGQRDXYFZHSEH-KBPBESRZSA-N 1 0 314.495 2.087 50 0 DEAARO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000097051717 402103589 /nfs/dbraw/zinc/10/35/89/402103589.db2.gz MCOICCQRGCOYKB-ZDUSSCGKSA-N 1 0 322.430 2.255 50 0 DEAARO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)C1CCCCC1 ZINC000097081897 402105004 /nfs/dbraw/zinc/10/50/04/402105004.db2.gz POFLZGYXHNJQSV-YOEHRIQHSA-N 1 0 304.434 2.489 50 0 DEAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000061636320 402108323 /nfs/dbraw/zinc/10/83/23/402108323.db2.gz VTXXZKGMYSHXSF-CQSZACIVSA-N 1 0 308.447 2.113 50 0 DEAARO CCc1noc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000097200923 402115695 /nfs/dbraw/zinc/11/56/95/402115695.db2.gz JOMWVOKCUOUTQH-CYBMUJFWSA-N 1 0 301.394 2.269 50 0 DEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@@H](O)c1ccccc1 ZINC000063847383 402116669 /nfs/dbraw/zinc/11/66/69/402116669.db2.gz QBBLQTGHRUYTKK-QGZVFWFLSA-N 1 0 304.434 2.492 50 0 DEAARO Cc1nc2nc(C)cc(N3CC[NH+](Cc4ccccc4)CC3)n2n1 ZINC000054110854 402062752 /nfs/dbraw/zinc/06/27/52/402062752.db2.gz FEQLMELMSVGHEQ-UHFFFAOYSA-N 1 0 322.416 2.063 50 0 DEAARO CN(C)c1nccnc1N1CCC(C2CC[NH+](C)CC2)CC1 ZINC000096150660 402062861 /nfs/dbraw/zinc/06/28/61/402062861.db2.gz OKAHKMFFJDPAHT-UHFFFAOYSA-N 1 0 303.454 2.101 50 0 DEAARO C[NH+]1CCN(CCNC(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000096157845 402063455 /nfs/dbraw/zinc/06/34/55/402063455.db2.gz NRMDSQDPBLSWJW-KTKRTIGZSA-N 1 0 323.440 2.217 50 0 DEAARO C[C@H](c1ccc(-c2cnc3n[nH]nc3c2)cc1)[NH+]1CCOCC1 ZINC000096180094 402064545 /nfs/dbraw/zinc/06/45/45/402064545.db2.gz ZVBIYGMLQXONTQ-GFCCVEGCSA-N 1 0 309.373 2.413 50 0 DEAARO C[NH+](C)CCOc1cc(C(=O)N2Cc3ccccc3C2)ccn1 ZINC000097237447 402119733 /nfs/dbraw/zinc/11/97/33/402119733.db2.gz PCNZSLTXHPCALC-UHFFFAOYSA-N 1 0 311.385 2.178 50 0 DEAARO CCC(CC)[NH+]1CCN(c2ccc(CNC(C)=O)cn2)CC1 ZINC000065428419 402124631 /nfs/dbraw/zinc/12/46/31/402124631.db2.gz XXFUUCPGAFRRDS-UHFFFAOYSA-N 1 0 304.438 2.028 50 0 DEAARO COCCCN(C(=O)c1ccn(C(C)C)n1)C1CC[NH+](C)CC1 ZINC000097553196 402126993 /nfs/dbraw/zinc/12/69/93/402126993.db2.gz LOWSBWJPEHGCFJ-UHFFFAOYSA-N 1 0 322.453 2.037 50 0 DEAARO COCC[NH+]1CCC(C(=O)NC2(c3cccc(C)c3)CC2)CC1 ZINC000097638016 402129104 /nfs/dbraw/zinc/12/91/04/402129104.db2.gz QPSJADPQTVOGJF-UHFFFAOYSA-N 1 0 316.445 2.459 50 0 DEAARO C[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)C[C@@H](C)[NH2+]1 ZINC000153234657 402134994 /nfs/dbraw/zinc/13/49/94/402134994.db2.gz RWVRLAVEVKBWAF-VXGBXAGGSA-N 1 0 312.360 2.333 50 0 DEAARO CCCc1nc(C)cc(N2CC[N@H+](CC3CC3)[C@H](CCO)C2)n1 ZINC000065384225 402123915 /nfs/dbraw/zinc/12/39/15/402123915.db2.gz WNNDRBDOTOKAKU-MRXNPFEDSA-N 1 0 318.465 2.021 50 0 DEAARO O=C(CC1CCCCC1)NC1CC[NH+](CCn2cccn2)CC1 ZINC000066885719 402144916 /nfs/dbraw/zinc/14/49/16/402144916.db2.gz LDPVFBSOMOMJLS-UHFFFAOYSA-N 1 0 318.465 2.434 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154284546 402203568 /nfs/dbraw/zinc/20/35/68/402203568.db2.gz NUJGWMIRUJUKJW-OUAUKWLOSA-N 1 0 314.788 2.455 50 0 DEAARO COc1ccc(NC(C)(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000067446815 402159940 /nfs/dbraw/zinc/15/99/40/402159940.db2.gz YIDSBBVLXJFCCR-CQSZACIVSA-N 1 0 319.449 2.344 50 0 DEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccccc2C)n1 ZINC000067604857 402164300 /nfs/dbraw/zinc/16/43/00/402164300.db2.gz JKCDKCUCTNYIBL-UHFFFAOYSA-N 1 0 313.405 2.367 50 0 DEAARO CC[N@@H+]1CCO[C@@H](CCNC(=O)c2c[nH]c3ccccc32)C1 ZINC000067654198 402166493 /nfs/dbraw/zinc/16/64/93/402166493.db2.gz VNJJUVCJWVZVAF-ZDUSSCGKSA-N 1 0 301.390 2.009 50 0 DEAARO C[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(Cl)ccc3oc2=O)C1 ZINC000067654651 402166663 /nfs/dbraw/zinc/16/66/63/402166663.db2.gz DVJDYIJVWHQOCF-SNVBAGLBSA-N 1 0 320.776 2.128 50 0 DEAARO C[C@H]([NH3+])CC(=O)NCc1cccnc1N1CCCCCCC1 ZINC000067674095 402167294 /nfs/dbraw/zinc/16/72/94/402167294.db2.gz MQVKMHPMQJRZHL-AWEZNQCLSA-N 1 0 304.438 2.206 50 0 DEAARO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cccs1)C(F)(F)F ZINC000067698909 402168507 /nfs/dbraw/zinc/16/85/07/402168507.db2.gz AELVHAKLOYFNKN-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/22/09/65/402220965.db2.gz SWPFJRWUOMRAHR-GJZGRUSLSA-N 1 0 323.824 2.002 50 0 DEAARO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)NCCC1=CCCCC1 ZINC000069434629 402223773 /nfs/dbraw/zinc/22/37/73/402223773.db2.gz OOMALDWFQAHTGC-LSDHHAIUSA-N 1 0 304.438 2.256 50 0 DEAARO CCn1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1C ZINC000069489769 402226299 /nfs/dbraw/zinc/22/62/99/402226299.db2.gz YKQNUHLLBGXBJD-LSDHHAIUSA-N 1 0 304.438 2.219 50 0 DEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069520974 402228690 /nfs/dbraw/zinc/22/86/90/402228690.db2.gz ANCCZKCZBTZQHA-HNNXBMFYSA-N 1 0 322.416 2.185 50 0 DEAARO c1coc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000069528797 402229259 /nfs/dbraw/zinc/22/92/59/402229259.db2.gz SROGSLIFRYXWSK-CYBMUJFWSA-N 1 0 302.378 2.294 50 0 DEAARO C[C@H](CNC(=O)[C@H](C)NC(=O)CC1CCCCC1)[NH+]1CCCC1 ZINC000069530600 402229554 /nfs/dbraw/zinc/22/95/54/402229554.db2.gz NEUCTXQGLSEBNE-CABCVRRESA-N 1 0 323.481 2.062 50 0 DEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2cc[nH]c2c1 ZINC000069594571 402233971 /nfs/dbraw/zinc/23/39/71/402233971.db2.gz ZBGFOKPXEOGEAO-INIZCTEOSA-N 1 0 315.417 2.351 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]CCCn2c3ccccc3oc2=O)c1 ZINC000069664981 402237606 /nfs/dbraw/zinc/23/76/06/402237606.db2.gz FEWBIXMDKXPCPD-AWEZNQCLSA-N 1 0 314.389 2.168 50 0 DEAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC(=O)NCCc2cccs2)c1 ZINC000069709397 402240334 /nfs/dbraw/zinc/24/03/34/402240334.db2.gz WWGZJFCYYBRJOM-KBPBESRZSA-N 1 0 320.462 2.151 50 0 DEAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CC2 ZINC000069745062 402242348 /nfs/dbraw/zinc/24/23/48/402242348.db2.gz OUYPOZBFRULUCW-HNNXBMFYSA-N 1 0 322.416 2.131 50 0 DEAARO O=S(=O)(CCC[NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000069780311 402244255 /nfs/dbraw/zinc/24/42/55/402244255.db2.gz SLCTUBCNWWNXKD-UHFFFAOYSA-N 1 0 305.399 2.346 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000069808210 402244722 /nfs/dbraw/zinc/24/47/22/402244722.db2.gz CSGRMXNNTWCNST-IRXDYDNUSA-N 1 0 314.429 2.249 50 0 DEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)/C=C/c2cnccn2)C1 ZINC000108067435 402245626 /nfs/dbraw/zinc/24/56/26/402245626.db2.gz IYEOWNZRJDJWAV-FKUVRRMFSA-N 1 0 322.412 2.442 50 0 DEAARO Cc1noc2ncc(C(=O)N3CCC[C@H]3[C@H]3CCC[N@H+]3C)cc12 ZINC000069872823 402248374 /nfs/dbraw/zinc/24/83/74/402248374.db2.gz COHZSKFVICWZRX-CABCVRRESA-N 1 0 314.389 2.230 50 0 DEAARO C[C@H](c1ccccc1Br)N1CC[NH+](CCO)CC1 ZINC000069928249 402251673 /nfs/dbraw/zinc/25/16/73/402251673.db2.gz WOPJWLSVITUYKX-GFCCVEGCSA-N 1 0 313.239 2.120 50 0 DEAARO O=[S@@](CC[N@@H+]1CCC[C@@H]1Cn1cccn1)c1ccccc1 ZINC000069929822 402251857 /nfs/dbraw/zinc/25/18/57/402251857.db2.gz WQTDLUXODQMTCF-QVKFZJNVSA-N 1 0 303.431 2.155 50 0 DEAARO COCC[N@@H+]1CCN(Cc2nc3ccccc3nc2C)C[C@H]1C ZINC000069950696 402252314 /nfs/dbraw/zinc/25/23/14/402252314.db2.gz GUFMTEDNPOJMPA-CQSZACIVSA-N 1 0 314.433 2.091 50 0 DEAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000069947859 402252477 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ZINC000071314944 402272658 /nfs/dbraw/zinc/27/26/58/402272658.db2.gz OYMUXGBGERLGFO-CYBMUJFWSA-N 1 0 321.396 2.063 50 0 DEAARO CC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000195573387 402273762 /nfs/dbraw/zinc/27/37/62/402273762.db2.gz CQRABSFCCGZJJX-CJNGLKHVSA-N 1 0 308.397 2.156 50 0 DEAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CCC(N)=O)C2)cc1 ZINC000071757306 402276439 /nfs/dbraw/zinc/27/64/39/402276439.db2.gz GDUAOENQMCLGRG-CYBMUJFWSA-N 1 0 306.431 2.179 50 0 DEAARO CNC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071775557 402277530 /nfs/dbraw/zinc/27/75/30/402277530.db2.gz NPLGXVBPUDKNHI-QGZVFWFLSA-N 1 0 321.440 2.104 50 0 DEAARO Cc1cc(C2CCC2)nc(NC[C@H]2CCC[N@H+](CCO)C2)n1 ZINC000071771310 402277596 /nfs/dbraw/zinc/27/75/96/402277596.db2.gz CTSVPWSQUNEDPU-CQSZACIVSA-N 1 0 304.438 2.169 50 0 DEAARO Cc1ccc2oc(=O)n(C[N@H+](C[C@@H]3CCOC3)C3CC3)c2c1 ZINC000071817267 402281810 /nfs/dbraw/zinc/28/18/10/402281810.db2.gz QOCFYKVKCAWNJF-ZDUSSCGKSA-N 1 0 302.374 2.361 50 0 DEAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000215293592 402282130 /nfs/dbraw/zinc/28/21/30/402282130.db2.gz AXBYMFPWGOSLQA-UHFFFAOYSA-N 1 0 321.783 2.472 50 0 DEAARO COc1cc2c(cc1C[N@H+](C)C[C@H]1CCCCO1)OCCO2 ZINC000215493754 402283241 /nfs/dbraw/zinc/28/32/41/402283241.db2.gz USHUCBRUONUSMR-CQSZACIVSA-N 1 0 307.390 2.467 50 0 DEAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc2c1OCCO2 ZINC000071831312 402285302 /nfs/dbraw/zinc/28/53/02/402285302.db2.gz SVPZCHZSURNKCS-OAHLLOKOSA-N 1 0 315.369 2.290 50 0 DEAARO CCn1nccc1C(=O)NC[C@H](c1sccc1C)[NH+](C)C ZINC000216390369 402288450 /nfs/dbraw/zinc/28/84/50/402288450.db2.gz WORVMJXFICUZTM-CYBMUJFWSA-N 1 0 306.435 2.306 50 0 DEAARO Cn1c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)nc2ccccc21 ZINC000071859721 402289495 /nfs/dbraw/zinc/28/94/95/402289495.db2.gz RFWKQKCROLRNDG-AWEZNQCLSA-N 1 0 322.416 2.122 50 0 DEAARO COc1ccnc(CNC(=O)C[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000220409302 402301158 /nfs/dbraw/zinc/30/11/58/402301158.db2.gz HSWKAZZJALZEDS-CQSZACIVSA-N 1 0 305.422 2.361 50 0 DEAARO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000158186611 402303304 /nfs/dbraw/zinc/30/33/04/402303304.db2.gz BXHRHPMTANVJQC-LBPRGKRZSA-N 1 0 300.406 2.109 50 0 DEAARO Cc1nc(/C=C\C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC000222027370 402305829 /nfs/dbraw/zinc/30/58/29/402305829.db2.gz NUXHGDJVAJIXNI-FOSCPCJNSA-N 1 0 324.446 2.365 50 0 DEAARO CN(C)c1ccc(CCNc2cc(C3CC([NH3+])C3)ncn2)cc1 ZINC000223577715 402311517 /nfs/dbraw/zinc/31/15/17/402311517.db2.gz AJKAIXXGPBMDIS-UHFFFAOYSA-N 1 0 311.433 2.402 50 0 DEAARO O=C([C@H](O)c1ccccc1Cl)N1CC([NH+]2CCCCC2)C1 ZINC000223577434 402311543 /nfs/dbraw/zinc/31/15/43/402311543.db2.gz ADNAOHVHSJBSEG-OAHLLOKOSA-N 1 0 308.809 2.070 50 0 DEAARO Cc1noc(C)c1CO[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000225531975 402320362 /nfs/dbraw/zinc/32/03/62/402320362.db2.gz ICDFJUZQUFHAHU-DOTOQJQBSA-N 1 0 324.421 2.426 50 0 DEAARO O=C(CNc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229187232 402341374 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C[C@@H]1CCCC[N@@H+]1C1CN(CCC(=O)NCc2cccs2)C1 ZINC000244898823 402450644 /nfs/dbraw/zinc/45/06/44/402450644.db2.gz ZCDULELXTLTXFP-CQSZACIVSA-N 1 0 321.490 2.313 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237948936 402427481 /nfs/dbraw/zinc/42/74/81/402427481.db2.gz UTQQTVBBHCAMIY-NSHDSACASA-N 1 0 302.296 2.034 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000238048616 402434706 /nfs/dbraw/zinc/43/47/06/402434706.db2.gz YYQZLRLSWOLMEO-GFCCVEGCSA-N 1 0 304.781 2.293 50 0 DEAARO OC1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCOCC1 ZINC000238146937 402439932 /nfs/dbraw/zinc/43/99/32/402439932.db2.gz PPEJEFVSZCYVOL-UHFFFAOYSA-N 1 0 321.808 2.157 50 0 DEAARO C[N@H+](CCC(=O)NC1CCCCC1)Cc1ccc2nonc2c1 ZINC000240824868 402442702 /nfs/dbraw/zinc/44/27/02/402442702.db2.gz QLOIVXPBGICLAY-UHFFFAOYSA-N 1 0 316.405 2.494 50 0 DEAARO C[C@H](CNC(=O)NCc1cccc(CO)c1)[NH+]1CCC(C)CC1 ZINC000242339278 402444435 /nfs/dbraw/zinc/44/44/35/402444435.db2.gz ZGNFEIHRUFHSGX-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/93/47/24/1061934724.db2.gz PKVWDCSJRFYIFI-AWEZNQCLSA-N 1 0 312.421 2.099 50 0 DEAARO CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)Nc2ccc(OC)cc2)C1 ZINC001506398081 1061936880 /nfs/dbraw/zinc/93/68/80/1061936880.db2.gz JTTCUBPDUVGDQT-HNNXBMFYSA-N 1 0 319.449 2.486 50 0 DEAARO C[C@H](CN(C)C(=O)c1c[nH]c(=O)c(Cl)c1)C[NH+]1CCCC1 ZINC001506398681 1061938795 /nfs/dbraw/zinc/93/87/95/1061938795.db2.gz QGNQGJLAOASKDZ-LLVKDONJSA-N 1 0 311.813 2.245 50 0 DEAARO CC(C)[N@@H+]1CC[C@@H](CN(C)Cc2nc(C(F)(F)F)no2)C1 ZINC000823719885 1090696635 /nfs/dbraw/zinc/69/66/35/1090696635.db2.gz WZTSVMYSEMKHRF-JTQLQIEISA-N 1 0 306.332 2.251 50 0 DEAARO Cc1nc2ccccc2nc1C[N@H+]1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000097742696 282086361 /nfs/dbraw/zinc/08/63/61/282086361.db2.gz POFYCAXFXZQHJA-KGLIPLIRSA-N 1 0 310.401 2.039 50 0 DEAARO CC(C)[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1[NH+](C)C ZINC000095519109 185376978 /nfs/dbraw/zinc/37/69/78/185376978.db2.gz TWAJIPHGJDQBQI-DLBZAZTESA-N 1 0 304.434 2.248 50 0 DEAARO CO[C@H](C[NH2+]C1CCN(c2ncccn2)CC1)c1cccs1 ZINC000095522835 185377385 /nfs/dbraw/zinc/37/73/85/185377385.db2.gz FOEUGVDIAVNPPU-CQSZACIVSA-N 1 0 318.446 2.484 50 0 DEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2cnccn2)C1 ZINC000095525384 185378247 /nfs/dbraw/zinc/37/82/47/185378247.db2.gz JULBVUOVCBOVMB-HNNXBMFYSA-N 1 0 314.437 2.009 50 0 DEAARO CC[C@H]1CN(C(=O)c2cccc(C(=O)OC)c2)CC[N@@H+]1C(C)C ZINC000082161336 185174171 /nfs/dbraw/zinc/17/41/71/185174171.db2.gz RKALHTIAMYDEBQ-INIZCTEOSA-N 1 0 318.417 2.418 50 0 DEAARO CC[C@@H](COC)NC(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000426497128 529516311 /nfs/dbraw/zinc/51/63/11/529516311.db2.gz ZAVSPFLPPURRKT-INIZCTEOSA-N 1 0 307.438 2.315 50 0 DEAARO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CC[NH2+]1 ZINC000088058938 185238299 /nfs/dbraw/zinc/23/82/99/185238299.db2.gz WHKUMTBLHKMPDK-MRVPVSSYSA-N 1 0 301.159 2.022 50 0 DEAARO CC[N@H+](CCOC[C@H]1CCCO1)C[C@@H]1COc2ccccc2O1 ZINC000089969223 185272456 /nfs/dbraw/zinc/27/24/56/185272456.db2.gz RIPPSRILOKIQDE-HZPDHXFCSA-N 1 0 321.417 2.344 50 0 DEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)CN1CCCO ZINC000082109124 192358006 /nfs/dbraw/zinc/35/80/06/192358006.db2.gz ZVLVIDNJJRSVJX-LJQANCHMSA-N 1 0 316.445 2.274 50 0 DEAARO Cn1cc(CCC[N@H+](C)[C@@H]2CCOC3(CCOCC3)C2)cn1 ZINC000082125501 192359877 /nfs/dbraw/zinc/35/98/77/192359877.db2.gz XJVCKGOHDFBUMA-MRXNPFEDSA-N 1 0 307.438 2.013 50 0 DEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCc1noc(C2CCCC2)n1 ZINC000095391405 185351642 /nfs/dbraw/zinc/35/16/42/185351642.db2.gz NRCCXONCGYMJNU-AWEZNQCLSA-N 1 0 320.437 2.260 50 0 DEAARO CC(C)n1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cn1 ZINC000097001867 185396093 /nfs/dbraw/zinc/39/60/93/185396093.db2.gz MRVGUFBMTUMQTC-UHFFFAOYSA-N 1 0 310.405 2.394 50 0 DEAARO Cn1nc(C2CCC2)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000095418842 185359767 /nfs/dbraw/zinc/35/97/67/185359767.db2.gz YPXRDIRHZUFSAA-AWEZNQCLSA-N 1 0 317.437 2.390 50 0 DEAARO Cc1nc(CC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cs1 ZINC000095419981 185360265 /nfs/dbraw/zinc/36/02/65/185360265.db2.gz SDWOYGFZFZYXAS-NSHDSACASA-N 1 0 314.418 2.321 50 0 DEAARO c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CO2 ZINC000095457751 185370332 /nfs/dbraw/zinc/37/03/32/185370332.db2.gz FBOHUFGLSNFYDY-SJLPKXTDSA-N 1 0 301.386 2.390 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097020528 185398344 /nfs/dbraw/zinc/39/83/44/185398344.db2.gz MOQSMSPTBHPHDB-RNCFNFMXSA-N 1 0 306.303 2.393 50 0 DEAARO CCS(=O)(=O)NCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000097033324 185399698 /nfs/dbraw/zinc/39/96/98/185399698.db2.gz DHMCGEJNTJKJIN-HNNXBMFYSA-N 1 0 314.426 2.122 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)N2CCOCC2)o1 ZINC000042903911 190672647 /nfs/dbraw/zinc/67/26/47/190672647.db2.gz VVNJJRPZJFSNNI-UHFFFAOYSA-N 1 0 318.421 2.179 50 0 DEAARO CCc1noc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2cnn(CC)c2)n1 ZINC000083830488 539390953 /nfs/dbraw/zinc/39/09/53/539390953.db2.gz BXGAIYPPZZIKIX-ZOWXZIJZSA-N 1 0 319.409 2.277 50 0 DEAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299753220 529982308 /nfs/dbraw/zinc/98/23/08/529982308.db2.gz XHTAUYDUKOJPSX-ROUUACIJSA-N 1 0 310.397 2.035 50 0 DEAARO O=C(NC1CC1)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000084041424 539392202 /nfs/dbraw/zinc/39/22/02/539392202.db2.gz KWVHIWDGZVOFOK-MLGOLLRUSA-N 1 0 312.417 2.490 50 0 DEAARO Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000084211060 539393201 /nfs/dbraw/zinc/39/32/01/539393201.db2.gz FDYOZDJRGYCTGC-INIZCTEOSA-N 1 0 303.406 2.370 50 0 DEAARO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1F ZINC000170593055 197781435 /nfs/dbraw/zinc/78/14/35/197781435.db2.gz IZYRHNRDVHITMB-IUODEOHRSA-N 1 0 314.426 2.148 50 0 DEAARO CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000299739271 530003778 /nfs/dbraw/zinc/00/37/78/530003778.db2.gz MRORVIVJCJKUJF-ZDUSSCGKSA-N 1 0 320.286 2.245 50 0 DEAARO CC[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 ZINC000084718744 539398259 /nfs/dbraw/zinc/39/82/59/539398259.db2.gz ROVCGQJFOOAQSK-STQMWFEESA-N 1 0 317.393 2.064 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000123930114 185857606 /nfs/dbraw/zinc/85/76/06/185857606.db2.gz ITAYXGFEUMHWSA-UWVGGRQHSA-N 1 0 320.817 2.227 50 0 DEAARO COC(=O)N1CC[C@H]([NH2+]Cc2cnc(C)n2-c2ccccc2)C1 ZINC000084048357 192397373 /nfs/dbraw/zinc/39/73/73/192397373.db2.gz KYTVAHFDSCPDGL-AWEZNQCLSA-N 1 0 314.389 2.111 50 0 DEAARO COc1ccccc1OC1CN(Cc2ccc(CC[NH3+])cc2)C1 ZINC000072138822 191048467 /nfs/dbraw/zinc/04/84/67/191048467.db2.gz JZIIFTQZWVFTFC-UHFFFAOYSA-N 1 0 312.413 2.460 50 0 DEAARO COCC[N@@H+]1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072138869 191047940 /nfs/dbraw/zinc/04/79/40/191047940.db2.gz KGJVVAGRIDFWCP-QXAKKESOSA-N 1 0 316.445 2.204 50 0 DEAARO COc1cccc(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c1 ZINC000072135148 191046150 /nfs/dbraw/zinc/04/61/50/191046150.db2.gz DSPVYRAJLIPPSY-MRXNPFEDSA-N 1 0 318.417 2.066 50 0 DEAARO Cn1ccnc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072157371 191061210 /nfs/dbraw/zinc/06/12/10/191061210.db2.gz VHLDCAPATRUGGC-UHFFFAOYSA-N 1 0 302.397 2.267 50 0 DEAARO CCc1nc(C)sc1C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072164702 191065456 /nfs/dbraw/zinc/06/54/56/191065456.db2.gz WFWOBENEISIXLX-ZDUSSCGKSA-N 1 0 323.462 2.043 50 0 DEAARO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)Cn1cccn1)CCC2 ZINC000177890093 186199988 /nfs/dbraw/zinc/19/99/88/186199988.db2.gz MEQQEWTYNBJEIR-JSGCOSHPSA-N 1 0 320.462 2.272 50 0 DEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC(=O)N(C)C)cc1 ZINC000072301613 191114847 /nfs/dbraw/zinc/11/48/47/191114847.db2.gz GOOZBFKKILHHKO-AWEZNQCLSA-N 1 0 317.433 2.478 50 0 DEAARO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccnc(N)c2)C1 ZINC000225616859 186284046 /nfs/dbraw/zinc/28/40/46/186284046.db2.gz NVBRTUQKXKUMJJ-JSGCOSHPSA-N 1 0 306.410 2.010 50 0 DEAARO O=C1CC[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]2N1CCCCO ZINC000072421873 191158861 /nfs/dbraw/zinc/15/88/61/191158861.db2.gz XAUHIGKMLATWMW-GOEBONIOSA-N 1 0 322.474 2.334 50 0 DEAARO c1cc2nc(-c3ccccc3)cc(N3[C@@H]4CC[C@H]3C[NH2+]C4)n2n1 ZINC000072468048 191175418 /nfs/dbraw/zinc/17/54/18/191175418.db2.gz WGFAWUXRAXLXCZ-GASCZTMLSA-N 1 0 305.385 2.337 50 0 DEAARO O[C@@]1(CNCc2cc(-c3ccccc3Cl)on2)CCC[NH2+]C1 ZINC000072474167 191177219 /nfs/dbraw/zinc/17/72/19/191177219.db2.gz WNBXVGYABDIFLY-INIZCTEOSA-N 1 0 321.808 2.199 50 0 DEAARO C[C@@H](O)C[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003338916 181008295 /nfs/dbraw/zinc/00/82/95/181008295.db2.gz YFKIARHCYKNUKV-SSDOTTSWSA-N 1 0 310.703 2.268 50 0 DEAARO CC1CC[NH+](CCCn2c(=O)c3cccnc3[nH]c2=S)CC1 ZINC000020618227 354047039 /nfs/dbraw/zinc/04/70/39/354047039.db2.gz XCVUAIYYKDFRKR-UHFFFAOYSA-N 1 0 318.446 2.202 50 0 DEAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)c2ccccc12 ZINC000004189298 181082982 /nfs/dbraw/zinc/08/29/82/181082982.db2.gz LITRHYXJMAYHDP-HOTGVXAUSA-N 1 0 302.418 2.388 50 0 DEAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004279624 181092134 /nfs/dbraw/zinc/09/21/34/181092134.db2.gz ZXBYFFLADVVWFF-LZWOXQAQSA-N 1 0 321.417 2.191 50 0 DEAARO Cn1ccc(CN2CCC[N@H+](Cc3cccs3)CC2)cc1=O ZINC000051537717 354386461 /nfs/dbraw/zinc/38/64/61/354386461.db2.gz FMYZYDAXIJAZMI-UHFFFAOYSA-N 1 0 317.458 2.155 50 0 DEAARO CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2ccccc2c1 ZINC000004556749 181124295 /nfs/dbraw/zinc/12/42/95/181124295.db2.gz REBHTGLALGGOMA-MRXNPFEDSA-N 1 0 313.401 2.268 50 0 DEAARO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000061650377 354630659 /nfs/dbraw/zinc/63/06/59/354630659.db2.gz KAOWURKSHPHOFQ-DLBZAZTESA-N 1 0 302.418 2.403 50 0 DEAARO Cc1csc2nc(C[N@H+](C)C[C@H]3CCCCO3)cc(=O)n12 ZINC000071821821 354897682 /nfs/dbraw/zinc/89/76/82/354897682.db2.gz VPIGCUJSCLTOQA-CYBMUJFWSA-N 1 0 307.419 2.065 50 0 DEAARO COc1ccc(C2(C[NH2+]C(C)(C)C(N)=O)CCCC2)cc1OC ZINC000004862886 181165038 /nfs/dbraw/zinc/16/50/38/181165038.db2.gz KDGVAILWMWKTEX-UHFFFAOYSA-N 1 0 320.433 2.369 50 0 DEAARO C[NH+](C)CCOc1ccccc1N1C(=O)C2=C(CCCC2)C1=O ZINC000075260974 355077136 /nfs/dbraw/zinc/07/71/36/355077136.db2.gz ZUUIQJDVSRHVSX-UHFFFAOYSA-N 1 0 314.385 2.371 50 0 DEAARO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)NC1CCC2(CC1)OCCO2 ZINC000075769155 355106098 /nfs/dbraw/zinc/10/60/98/355106098.db2.gz WECKBWAJOZSVHN-GDBMZVCRSA-N 1 0 322.449 2.053 50 0 DEAARO CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC000078892287 355283383 /nfs/dbraw/zinc/28/33/83/355283383.db2.gz GHSYZNRYRZBTDO-HNNXBMFYSA-N 1 0 305.422 2.460 50 0 DEAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3c2OCCO3)[C@H](C)C1 ZINC000078897364 355284303 /nfs/dbraw/zinc/28/43/03/355284303.db2.gz ZCMOUTXKNIWPPL-HIFRSBDPSA-N 1 0 318.417 2.194 50 0 DEAARO CCCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC)C[C@@H]2C)n1 ZINC000078896817 355284314 /nfs/dbraw/zinc/28/43/14/355284314.db2.gz UHEVMBATJAAUEU-RWMBFGLXSA-N 1 0 308.426 2.320 50 0 DEAARO c1ccc([C@@H]2C[N@H+](CCCN3CCOCC3)CCS2)cc1 ZINC000075748348 191515303 /nfs/dbraw/zinc/51/53/03/191515303.db2.gz LFLCVNFPYXDTJT-KRWDZBQOSA-N 1 0 306.475 2.499 50 0 DEAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1ncc(C(C)(C)C)o1)CC2 ZINC000095364967 355696200 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Cc1ccc([C@H](O)C[NH2+]C2(CO)Cc3ccccc3C2)cc1C ZINC000170626883 355989579 /nfs/dbraw/zinc/98/95/79/355989579.db2.gz QSBNGZREEJEADF-LJQANCHMSA-N 1 0 311.425 2.456 50 0 DEAARO CCC[C@H]([NH3+])CNC(=O)c1cccc(Oc2cnccn2)c1 ZINC000170677248 355991105 /nfs/dbraw/zinc/99/11/05/355991105.db2.gz IKJLRVQXFONKIN-ZDUSSCGKSA-N 1 0 300.362 2.126 50 0 DEAARO OCC1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)COC1 ZINC000181542277 356084436 /nfs/dbraw/zinc/08/44/36/356084436.db2.gz XOGBSRINHPSTCV-ZDUSSCGKSA-N 1 0 317.307 2.171 50 0 DEAARO COC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2C)CCO1 ZINC000192040108 356220067 /nfs/dbraw/zinc/22/00/67/356220067.db2.gz MQPZMXWEQFWUPT-QGZVFWFLSA-N 1 0 301.390 2.028 50 0 DEAARO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000195543076 356256242 /nfs/dbraw/zinc/25/62/42/356256242.db2.gz LHOWUGVULVBEJA-OALUTQOASA-N 1 0 324.424 2.465 50 0 DEAARO Cc1cc(C)n(CC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000195560499 356257229 /nfs/dbraw/zinc/25/72/29/356257229.db2.gz 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COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000237368548 202247416 /nfs/dbraw/zinc/24/74/16/202247416.db2.gz MRJGRUYYQNRDKO-JLZZUVOBSA-N 1 0 318.417 2.147 50 0 DEAARO Cc1cc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)cc(C)c1F ZINC000089587204 192822160 /nfs/dbraw/zinc/82/21/60/192822160.db2.gz NCLHSUZIJQKBMS-GFCCVEGCSA-N 1 0 302.415 2.032 50 0 DEAARO COc1ccc2c(c1)OCC(C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])=C2 ZINC000237526349 202271544 /nfs/dbraw/zinc/27/15/44/202271544.db2.gz FNLSJISBVBAFDT-BLLLJJGKSA-N 1 0 316.401 2.199 50 0 DEAARO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cnn1-c1ccccc1Cl ZINC000237587175 202293043 /nfs/dbraw/zinc/29/30/43/202293043.db2.gz SKJGMFVWZSRPHH-NSHDSACASA-N 1 0 318.808 2.268 50 0 DEAARO CC[C@@]1(C)CN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCO1 ZINC000188200147 200208559 /nfs/dbraw/zinc/20/85/59/200208559.db2.gz FTECSKUKYKYTOX-WBVHZDCISA-N 1 0 311.470 2.175 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 ZINC000237844750 202368821 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CC[NH+](CC)CC[C@@H](CO)NC/C=C\c1ccccc1OC ZINC000606444636 361008090 /nfs/dbraw/zinc/00/80/90/361008090.db2.gz RVUPPZKUEMPUIG-PXAMLJHWSA-N 1 0 306.450 2.391 50 0 DEAARO [NH3+]C1CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000606442919 361008196 /nfs/dbraw/zinc/00/81/96/361008196.db2.gz KLERKNWJXHFSGE-TWGQIWQCSA-N 1 0 300.811 2.064 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ncon3)cc2)C1 ZINC000670447544 540934640 /nfs/dbraw/zinc/93/46/40/540934640.db2.gz ZLDXUQGXPHYKLN-CQSZACIVSA-N 1 0 316.361 2.057 50 0 DEAARO COc1ccccc1OCCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000670456433 540936419 /nfs/dbraw/zinc/93/64/19/540936419.db2.gz ONBOXCQTFMUGOE-UHFFFAOYSA-N 1 0 316.405 2.462 50 0 DEAARO C=Cn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cn1 ZINC000194187353 201193746 /nfs/dbraw/zinc/19/37/46/201193746.db2.gz UDAJGXJXELOBRK-UHFFFAOYSA-N 1 0 304.438 2.108 50 0 DEAARO Cc1cnn(CCC[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c1 ZINC000244817204 202499734 /nfs/dbraw/zinc/49/97/34/202499734.db2.gz SWADIKHCTYVHGJ-GOSISDBHSA-N 1 0 314.433 2.422 50 0 DEAARO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)COCc2cccs2)n1 ZINC000006940276 181409265 /nfs/dbraw/zinc/40/92/65/181409265.db2.gz SYRWXXWUTKDRHX-OAHLLOKOSA-N 1 0 323.462 2.119 50 0 DEAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000091391304 193050193 /nfs/dbraw/zinc/05/01/93/193050193.db2.gz BMERDEIJJRIMNW-CYBMUJFWSA-N 1 0 302.374 2.015 50 0 DEAARO [NH3+][C@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000091663785 193087260 /nfs/dbraw/zinc/08/72/60/193087260.db2.gz ZFWFUTVWRHMMDB-MSOLQXFVSA-N 1 0 310.397 2.157 50 0 DEAARO CCCCc1c(C)[nH+]c(N)nc1NC[C@@H](O)c1ccccn1 ZINC000091695172 193092699 /nfs/dbraw/zinc/09/26/99/193092699.db2.gz AVLWLJOIHNOEBK-CQSZACIVSA-N 1 0 301.394 2.250 50 0 DEAARO Cc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091876455 193121822 /nfs/dbraw/zinc/12/18/22/193121822.db2.gz MXMLIOLNKLXMLR-QZTJIDSGSA-N 1 0 317.477 2.306 50 0 DEAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093017415 193195229 /nfs/dbraw/zinc/19/52/29/193195229.db2.gz PHWDFJJCGVLYDC-IBGZPJMESA-N 1 0 318.461 2.377 50 0 DEAARO NC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000093051810 193198436 /nfs/dbraw/zinc/19/84/36/193198436.db2.gz ZKNPCIRUOMOKKQ-UHFFFAOYSA-N 1 0 317.311 2.218 50 0 DEAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000093614144 193274683 /nfs/dbraw/zinc/27/46/83/193274683.db2.gz NSVMRWNXWCNYGE-SJORKVTESA-N 1 0 305.418 2.447 50 0 DEAARO CC[C@H](CO)[NH+]1CCN(Cc2cnc(C(C)(C)C)s2)CC1 ZINC000093740250 193297827 /nfs/dbraw/zinc/29/78/27/193297827.db2.gz KHQMAPHONDHPOB-CYBMUJFWSA-N 1 0 311.495 2.329 50 0 DEAARO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093808823 193309741 /nfs/dbraw/zinc/30/97/41/193309741.db2.gz JIFKBEXIZXHKPD-AWEZNQCLSA-N 1 0 312.417 2.473 50 0 DEAARO CC[NH+](CC)CCNc1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000095348807 193425386 /nfs/dbraw/zinc/42/53/86/193425386.db2.gz IBRSJAVTHDVJMT-UHFFFAOYSA-N 1 0 305.348 2.315 50 0 DEAARO CC[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CC[N@@H+]1C(C)C ZINC000095380870 193440276 /nfs/dbraw/zinc/44/02/76/193440276.db2.gz XGFLWYHASBMVRC-OAHLLOKOSA-N 1 0 302.422 2.299 50 0 DEAARO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)C1CCCCC1 ZINC000097081898 296153448 /nfs/dbraw/zinc/15/34/48/296153448.db2.gz POFLZGYXHNJQSV-PBHICJAKSA-N 1 0 304.434 2.489 50 0 DEAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000008325895 181548392 /nfs/dbraw/zinc/54/83/92/181548392.db2.gz QTNWOEOVNFMBEW-SECBINFHSA-N 1 0 300.786 2.101 50 0 DEAARO CSc1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1 ZINC000019286437 182112542 /nfs/dbraw/zinc/11/25/42/182112542.db2.gz RCHNQTJVTMHANO-UHFFFAOYSA-N 1 0 315.442 2.401 50 0 DEAARO COc1cc(F)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019222791 182108255 /nfs/dbraw/zinc/10/82/55/182108255.db2.gz OATVXSSXQAECQV-INIZCTEOSA-N 1 0 308.397 2.131 50 0 DEAARO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000019841495 182155703 /nfs/dbraw/zinc/15/57/03/182155703.db2.gz LUBIYHKZWFTPAV-STQMWFEESA-N 1 0 322.405 2.142 50 0 DEAARO CN1CC[NH+](C2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000019868127 182158407 /nfs/dbraw/zinc/15/84/07/182158407.db2.gz CEXXOOMVPDEUKX-UHFFFAOYSA-N 1 0 307.482 2.195 50 0 DEAARO CCCN1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000019939775 182167913 /nfs/dbraw/zinc/16/79/13/182167913.db2.gz IWHSHTMUXGMQBH-ZDUSSCGKSA-N 1 0 307.463 2.340 50 0 DEAARO NC(=O)COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000020112608 182188414 /nfs/dbraw/zinc/18/84/14/182188414.db2.gz VVPKIDKNTAMBDU-GOSISDBHSA-N 1 0 321.380 2.267 50 0 biogenic DEAARO Cc1ncc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)s1 ZINC000020536018 182227944 /nfs/dbraw/zinc/22/79/44/182227944.db2.gz JEEKWWQSNCXJFO-HNNXBMFYSA-N 1 0 309.479 2.263 50 0 DEAARO CN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000020706314 182243252 /nfs/dbraw/zinc/24/32/52/182243252.db2.gz XULQHNBCBQLSCG-KRWDZBQOSA-N 1 0 324.513 2.377 50 0 DEAARO C[NH+]1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000022022877 182304247 /nfs/dbraw/zinc/30/42/47/182304247.db2.gz CDIXBFFICXVRDN-UHFFFAOYSA-N 1 0 315.339 2.281 50 0 DEAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000022025348 182304864 /nfs/dbraw/zinc/30/48/64/182304864.db2.gz QXBTWVWXUCAWPR-GOSISDBHSA-N 1 0 319.449 2.091 50 0 DEAARO CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000022037721 182305954 /nfs/dbraw/zinc/30/59/54/182305954.db2.gz BBZVGRICMCUYEN-IBGZPJMESA-N 1 0 323.440 2.468 50 0 DEAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)c(OC)c1OC ZINC000022587919 182327313 /nfs/dbraw/zinc/32/73/13/182327313.db2.gz CQEKBAGFAXPWRM-HIFRSBDPSA-N 1 0 320.433 2.381 50 0 DEAARO c1ccc(-c2noc(CN3CC[NH+](C4CCCC4)CC3)n2)nc1 ZINC000022851218 182337038 /nfs/dbraw/zinc/33/70/38/182337038.db2.gz AZSNAGBBNLMMDN-UHFFFAOYSA-N 1 0 313.405 2.192 50 0 DEAARO O=c1cc(C2CC[NH2+]CC2)nc(Cc2cccc(Cl)c2)[nH]1 ZINC000023380226 182359490 /nfs/dbraw/zinc/35/94/90/182359490.db2.gz VLBQMGSXXSMRBC-UHFFFAOYSA-N 1 0 303.793 2.481 50 0 DEAARO NC(=O)[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000026226080 182433513 /nfs/dbraw/zinc/43/35/13/182433513.db2.gz OJHHITAYJCLFQT-GOSISDBHSA-N 1 0 320.396 2.231 50 0 DEAARO Cc1nnc(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)s1 ZINC000040103486 183034978 /nfs/dbraw/zinc/03/49/78/183034978.db2.gz QJCREYVPZIDFFN-GFCCVEGCSA-N 1 0 311.455 2.479 50 0 DEAARO COc1cccc(COCC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000040107259 183036042 /nfs/dbraw/zinc/03/60/42/183036042.db2.gz RBQDMBINEZTHJJ-UHFFFAOYSA-N 1 0 322.449 2.447 50 0 DEAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N(C)C)cc1OC ZINC000040554447 183101040 /nfs/dbraw/zinc/10/10/40/183101040.db2.gz PHJVZHGUYARWRN-AWEZNQCLSA-N 1 0 306.406 2.319 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000041028177 183157507 /nfs/dbraw/zinc/15/75/07/183157507.db2.gz DTQSVVFREUGURR-NSHDSACASA-N 1 0 301.159 2.152 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000493232038 249255729 /nfs/dbraw/zinc/25/57/29/249255729.db2.gz MKBAHSUKDQJTFQ-IOBAAEILSA-N 1 0 300.402 2.187 50 0 DEAARO COc1cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)ccc1F ZINC000104386229 194004298 /nfs/dbraw/zinc/00/42/98/194004298.db2.gz QIHKBWFGBRJWMH-OAHLLOKOSA-N 1 0 310.413 2.111 50 0 DEAARO COc1ccc(OC)c([C@@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000106513264 194221301 /nfs/dbraw/zinc/22/13/01/194221301.db2.gz FECKWOCJKGIMII-DYVFJYSZSA-N 1 0 321.417 2.238 50 0 DEAARO COCC1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000374317438 284816889 /nfs/dbraw/zinc/81/68/89/284816889.db2.gz SERSHUYAQXNIOE-INIZCTEOSA-N 1 0 323.481 2.463 50 0 DEAARO Cc1ccsc1CN(CC(C)C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000055212035 183971674 /nfs/dbraw/zinc/97/16/74/183971674.db2.gz CHLHVPKRXLHUCD-AWEZNQCLSA-N 1 0 310.463 2.420 50 0 DEAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)o1 ZINC000055307359 183978334 /nfs/dbraw/zinc/97/83/34/183978334.db2.gz AGACNFRCTQHKFQ-LBPRGKRZSA-N 1 0 313.357 2.388 50 0 DEAARO C[C@H](CNC(=O)c1cncc(Br)c1)[N@H+](C)C1CC1 ZINC000057718763 184049989 /nfs/dbraw/zinc/04/99/89/184049989.db2.gz GEHBOCFBUFUSEI-SECBINFHSA-N 1 0 312.211 2.057 50 0 DEAARO C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058173878 184084494 /nfs/dbraw/zinc/08/44/94/184084494.db2.gz ZAIWSMAXXPPCDX-RYUDHWBXSA-N 1 0 308.809 2.460 50 0 DEAARO CCC[NH+]1CCC(NC(=O)CSCc2ccncc2)CC1 ZINC000058227071 184090870 /nfs/dbraw/zinc/09/08/70/184090870.db2.gz GTBWBUMKSDDFLY-UHFFFAOYSA-N 1 0 307.463 2.305 50 0 DEAARO NC(=O)[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000058343755 184107492 /nfs/dbraw/zinc/10/74/92/184107492.db2.gz LNTWTFCEVAJQCD-GOSISDBHSA-N 1 0 320.396 2.231 50 0 DEAARO Cc1noc2ncc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc12 ZINC000058378479 184109999 /nfs/dbraw/zinc/10/99/99/184109999.db2.gz MWPUNJQCUXURMZ-CQSZACIVSA-N 1 0 314.389 2.232 50 0 DEAARO CCOc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000058276755 184098491 /nfs/dbraw/zinc/09/84/91/184098491.db2.gz FKXBHUDJJVSQEN-OAHLLOKOSA-N 1 0 320.433 2.312 50 0 DEAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000058292617 184101502 /nfs/dbraw/zinc/10/15/02/184101502.db2.gz JNBIKTARSZSGMB-CYBMUJFWSA-N 1 0 304.438 2.047 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000058796143 184129002 /nfs/dbraw/zinc/12/90/02/184129002.db2.gz JDSVJQHXAFOLRN-ZDUSSCGKSA-N 1 0 306.406 2.115 50 0 DEAARO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000060041733 184143598 /nfs/dbraw/zinc/14/35/98/184143598.db2.gz RLNKNWGUBABEIG-UHFFFAOYSA-N 1 0 303.406 2.134 50 0 DEAARO C[NH+](C)CCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000061647037 184181017 /nfs/dbraw/zinc/18/10/17/184181017.db2.gz VDYKQVIYJVVNFX-VMPITWQZSA-N 1 0 302.353 2.236 50 0 DEAARO Cc1ccc(C[N@@H+]2CCCN(c3cc(C(N)=O)ccn3)CC2)cc1 ZINC000064337605 184294971 /nfs/dbraw/zinc/29/49/71/184294971.db2.gz UYPNCGJYJZFQOW-UHFFFAOYSA-N 1 0 324.428 2.201 50 0 DEAARO CCn1cc(CC(=O)NCC[NH+]2CCCCC2)c2cccnc21 ZINC000065155887 184312869 /nfs/dbraw/zinc/31/28/69/184312869.db2.gz MDKBEPRZFHEZCO-UHFFFAOYSA-N 1 0 314.433 2.201 50 0 DEAARO COc1ccccc1-c1noc(CN2CC[NH+](C(C)C)CC2)n1 ZINC000065417673 184341269 /nfs/dbraw/zinc/34/12/69/184341269.db2.gz RDKKHNRUSBNLLX-UHFFFAOYSA-N 1 0 316.405 2.271 50 0 DEAARO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000065457598 184348358 /nfs/dbraw/zinc/34/83/58/184348358.db2.gz ACBNVVQQEGEBIK-AWEZNQCLSA-N 1 0 316.401 2.250 50 0 DEAARO O=C1CC2(CN1)CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000065460210 184349107 /nfs/dbraw/zinc/34/91/07/184349107.db2.gz NROOGFLNLGVRGZ-UHFFFAOYSA-N 1 0 324.428 2.034 50 0 DEAARO c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000065473658 184350717 /nfs/dbraw/zinc/35/07/17/184350717.db2.gz ZIABCQZYDCYWBF-SFHVURJKSA-N 1 0 324.428 2.480 50 0 DEAARO CC[NH+](CC)CCNC(=O)Nc1ccc(OCCOC)cc1 ZINC000065541934 184363953 /nfs/dbraw/zinc/36/39/53/184363953.db2.gz ASMAATICSGETLK-UHFFFAOYSA-N 1 0 309.410 2.175 50 0 DEAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 ZINC000065611222 184373239 /nfs/dbraw/zinc/37/32/39/184373239.db2.gz IHEAZOOFKKUIMM-QGZVFWFLSA-N 1 0 318.465 2.415 50 0 DEAARO COc1c(C[NH2+]CCCn2cnc3ccccc32)c(C)nn1C ZINC000065563768 184366619 /nfs/dbraw/zinc/36/66/19/184366619.db2.gz XWHVBKUJHCTNSA-UHFFFAOYSA-N 1 0 313.405 2.267 50 0 DEAARO COCC(=O)N1CCC[N@H+](CC[C@@H](C)c2ccccc2)CC1 ZINC000065508185 184356434 /nfs/dbraw/zinc/35/64/34/184356434.db2.gz QLBWGHVWZOZPLT-MRXNPFEDSA-N 1 0 304.434 2.361 50 0 DEAARO CCOc1cc2c(cc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)O[C@H](C)C2 ZINC000269215642 207333327 /nfs/dbraw/zinc/33/33/27/207333327.db2.gz VFKBEAHMXZEKOT-JMSVASOKSA-N 1 0 318.417 2.152 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cccn3)cc1)CN2 ZINC000065623718 184375043 /nfs/dbraw/zinc/37/50/43/184375043.db2.gz ACXMJPLLWAAEQS-MRXNPFEDSA-N 1 0 322.416 2.209 50 0 DEAARO CCn1c(=O)n(CCCc2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000067434214 184466860 /nfs/dbraw/zinc/46/68/60/184466860.db2.gz FGBHMNPQDFSRIJ-INIZCTEOSA-N 1 0 314.433 2.165 50 0 DEAARO Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000156407171 197111263 /nfs/dbraw/zinc/11/12/63/197111263.db2.gz GIRCKGWFASFHOP-HUUCEWRRSA-N 1 0 312.417 2.380 50 0 DEAARO C[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC[NH2+]1 ZINC000155156085 197026788 /nfs/dbraw/zinc/02/67/88/197026788.db2.gz BEPOQRMIXGMFSL-CYBMUJFWSA-N 1 0 322.836 2.209 50 0 DEAARO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270685130 257238103 /nfs/dbraw/zinc/23/81/03/257238103.db2.gz SVDVFMVREYPTLI-CKEIUWERSA-N 1 0 302.418 2.355 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000237263756 257239112 /nfs/dbraw/zinc/23/91/12/257239112.db2.gz SBHHEVLSTLZVNW-CQSZACIVSA-N 1 0 305.397 2.250 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000237108600 257239602 /nfs/dbraw/zinc/23/96/02/257239602.db2.gz KCUBAKLOSTWGAT-KGLIPLIRSA-N 1 0 306.406 2.111 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000237393001 257239789 /nfs/dbraw/zinc/23/97/89/257239789.db2.gz WZIGFEQVUVRLKQ-ZYHUDNBSSA-N 1 0 316.323 2.422 50 0 DEAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCN1C[C@@H](O)c1ccccc1 ZINC000229375711 257260202 /nfs/dbraw/zinc/26/02/02/257260202.db2.gz HREBOXUYUJKQMZ-NZSAHSFTSA-N 1 0 318.461 2.295 50 0 DEAARO COc1cc(F)c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000121808422 195351736 /nfs/dbraw/zinc/35/17/36/195351736.db2.gz SKXFIQJNFIJILN-MFKMUULPSA-N 1 0 310.369 2.185 50 0 DEAARO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245338880 533361655 /nfs/dbraw/zinc/36/16/55/533361655.db2.gz PAWIKOFNWSFJGP-DJSGYFEHSA-N 1 0 307.390 2.149 50 0 DEAARO Cc1cc2c(nc1C)sc1c2ncn(CC[NH+](C)C)c1=O ZINC000013690326 292013129 /nfs/dbraw/zinc/01/31/29/292013129.db2.gz ALKOSZPWWFPJRK-UHFFFAOYSA-N 1 0 302.403 2.185 50 0 DEAARO CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CO1 ZINC000563585659 292063917 /nfs/dbraw/zinc/06/39/17/292063917.db2.gz SPRXRZTVHWJRGQ-HOTGVXAUSA-N 1 0 317.433 2.116 50 0 DEAARO Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000004072864 401725579 /nfs/dbraw/zinc/72/55/79/401725579.db2.gz GMDOCSOSEKSTBI-UHFFFAOYSA-N 1 0 310.401 2.394 50 0 DEAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O ZINC000004622644 401726895 /nfs/dbraw/zinc/72/68/95/401726895.db2.gz GWPBOFSHVUFSAR-OAHLLOKOSA-N 1 0 323.356 2.428 50 0 DEAARO CCc1nc2sc3c(c2c(N2CC[NH+](C)CC2)n1)CCC3 ZINC000004747865 401727348 /nfs/dbraw/zinc/72/73/48/401727348.db2.gz YKCDEMDETZLQRZ-UHFFFAOYSA-N 1 0 302.447 2.494 50 0 DEAARO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004872436 401727675 /nfs/dbraw/zinc/72/76/75/401727675.db2.gz XRTJXPJQATUXQS-SWLSCSKDSA-N 1 0 302.374 2.202 50 0 DEAARO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000075110564 401749165 /nfs/dbraw/zinc/74/91/65/401749165.db2.gz NIPYOIWEYTUUDB-NEPJUHHUSA-N 1 0 312.410 2.038 50 0 DEAARO Cc1cccc(NC(=O)CNC(=O)C[N@H+]2CCCC[C@H]2C)c1C ZINC000007486503 401740981 /nfs/dbraw/zinc/74/09/81/401740981.db2.gz WFPJPNGCMITZGU-CQSZACIVSA-N 1 0 317.433 2.233 50 0 DEAARO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC000007636332 401742219 /nfs/dbraw/zinc/74/22/19/401742219.db2.gz WLWUMCPGAXLLST-OAHLLOKOSA-N 1 0 323.433 2.238 50 0 DEAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3nnnn3-c3ccccc3)C2)cc1 ZINC000007980941 401746120 /nfs/dbraw/zinc/74/61/20/401746120.db2.gz IDFQWEACSRBODG-MRXNPFEDSA-N 1 0 320.400 2.349 50 0 DEAARO C[C@H](CNC(=O)CCc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000071867470 401689304 /nfs/dbraw/zinc/68/93/04/401689304.db2.gz KLJUMIKHSYRVKN-CQSZACIVSA-N 1 0 323.868 2.025 50 0 DEAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1nc3ccccc3n1C)CC2 ZINC000071871847 401689598 /nfs/dbraw/zinc/68/95/98/401689598.db2.gz ZTVQPEYFCNCCKX-CYBMUJFWSA-N 1 0 324.432 2.393 50 0 DEAARO Cc1nnsc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012536 401747262 /nfs/dbraw/zinc/74/72/62/401747262.db2.gz PLFNYRFTBZVTOY-UHFFFAOYSA-N 1 0 316.430 2.372 50 0 DEAARO Cc1nc[nH]c1C[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072154258 401703715 /nfs/dbraw/zinc/70/37/15/401703715.db2.gz DLXRPNIQSXNGAK-UHFFFAOYSA-N 1 0 310.401 2.228 50 0 DEAARO O=c1oc2ccccc2n1CC[NH2+]Cc1cccc2c1OCO2 ZINC000072269974 401704910 /nfs/dbraw/zinc/70/49/10/401704910.db2.gz RQRNCHOKFWDXIY-UHFFFAOYSA-N 1 0 312.325 2.113 50 0 DEAARO Cc1nc2c(c(N[C@H](c3nccn3C)C(C)C)n1)CC[NH2+]CC2 ZINC000072432219 401709764 /nfs/dbraw/zinc/70/97/64/401709764.db2.gz ZNJVUFVPKJYGLX-HNNXBMFYSA-N 1 0 314.437 2.016 50 0 DEAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc(C(=O)OC)c1 ZINC000013149764 401797253 /nfs/dbraw/zinc/79/72/53/401797253.db2.gz OXFUKHSHXROZHB-JKSUJKDBSA-N 1 0 321.417 2.477 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2F)C1 ZINC000014121703 401807172 /nfs/dbraw/zinc/80/71/72/401807172.db2.gz WFDQZNRVBYCDGW-CYBMUJFWSA-N 1 0 309.385 2.304 50 0 DEAARO CCNC(=O)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000008328518 401752030 /nfs/dbraw/zinc/75/20/30/401752030.db2.gz CFYIORFWSJOTBA-MNOVXSKESA-N 1 0 311.813 2.171 50 0 DEAARO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000075145894 401752212 /nfs/dbraw/zinc/75/22/12/401752212.db2.gz TXPLWKQCDNULCM-GUTXKFCHSA-N 1 0 308.447 2.173 50 0 DEAARO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000008706502 401755020 /nfs/dbraw/zinc/75/50/20/401755020.db2.gz YQFXQFNEYLNEMA-KGLIPLIRSA-N 1 0 300.406 2.390 50 0 DEAARO C[N@H+](Cc1[nH]nc2c1CCCC2)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077302151 401809613 /nfs/dbraw/zinc/80/96/13/401809613.db2.gz GXCCRFSCFKLIQS-CQSZACIVSA-N 1 0 319.449 2.449 50 0 DEAARO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000009375948 401762237 /nfs/dbraw/zinc/76/22/37/401762237.db2.gz OWLUTVMUOPKPOL-GOEBONIOSA-N 1 0 321.417 2.477 50 0 DEAARO CCc1nc(C)sc1C[NH+]1CCC2(CN(C)C(=O)O2)CC1 ZINC000077300136 401809701 /nfs/dbraw/zinc/80/97/01/401809701.db2.gz DINUHZKIBWYWHV-UHFFFAOYSA-N 1 0 309.435 2.431 50 0 DEAARO CN1CCN(C2CC[NH+](CCOc3cccc(F)c3)CC2)C1=O ZINC000075604127 401764167 /nfs/dbraw/zinc/76/41/67/401764167.db2.gz IQCDZALJEUKMHS-UHFFFAOYSA-N 1 0 321.396 2.036 50 0 DEAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000010312765 401769153 /nfs/dbraw/zinc/76/91/53/401769153.db2.gz PRSRHRMDLZDZPG-UHFFFAOYSA-N 1 0 317.414 2.292 50 0 DEAARO COc1ccc(/C=C/C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000010450006 401770202 /nfs/dbraw/zinc/77/02/02/401770202.db2.gz LGSRKRPKEIFEBD-VQHVLOKHSA-N 1 0 318.417 2.319 50 0 DEAARO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCC2)c(C)c1 ZINC000010450123 401770306 /nfs/dbraw/zinc/77/03/06/401770306.db2.gz JMYRXVPCZSQDKQ-UHFFFAOYSA-N 1 0 310.463 2.376 50 0 DEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CC(C)C)C2=O)c1 ZINC000011999944 401778241 /nfs/dbraw/zinc/77/82/41/401778241.db2.gz GHICUJCZKPFKRQ-GOSISDBHSA-N 1 0 304.434 2.094 50 0 DEAARO CC(C)Cc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1 ZINC000014252187 401810768 /nfs/dbraw/zinc/81/07/68/401810768.db2.gz ZBVOBSBEIAIJRS-UHFFFAOYSA-N 1 0 310.463 2.258 50 0 DEAARO COC(=O)[C@H](C[N@H+](C)Cc1ccccc1)[C@@H](O)c1ccncc1 ZINC000012540331 401787703 /nfs/dbraw/zinc/78/77/03/401787703.db2.gz KDXCSSVSRPXSBC-SJORKVTESA-N 1 0 314.385 2.036 50 0 DEAARO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCC2)CC1 ZINC000012596890 401788865 /nfs/dbraw/zinc/78/88/65/401788865.db2.gz XWXRZDAHFDOWHN-MRXNPFEDSA-N 1 0 316.449 2.205 50 0 DEAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]C1CCCC1 ZINC000012713214 401790041 /nfs/dbraw/zinc/79/00/41/401790041.db2.gz VIXYOPDNRAPATN-SFHVURJKSA-N 1 0 308.466 2.452 50 0 DEAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCO)[C@H]3C=C12 ZINC000012866630 401792823 /nfs/dbraw/zinc/79/28/23/401792823.db2.gz WZTMASUKMOOXHW-PVUDFCJISA-N 1 0 307.434 2.273 50 0 biogenic DEAARO O=c1[nH]c(Cl)ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000015776363 401818218 /nfs/dbraw/zinc/81/82/18/401818218.db2.gz MSYUFDKDJIGHSM-UHFFFAOYSA-N 1 0 303.793 2.351 50 0 DEAARO O=C(NCCc1cnccn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000020541535 401824733 /nfs/dbraw/zinc/82/47/33/401824733.db2.gz UGXRELVWVQJXTD-GOSISDBHSA-N 1 0 324.428 2.190 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000078394312 401849895 /nfs/dbraw/zinc/84/98/95/401849895.db2.gz RDZMJLBXGYGMOE-CQSZACIVSA-N 1 0 307.413 2.031 50 0 DEAARO Cn1ncc2c1ncnc2N1CCC(c2ccc(O)cc2)CC1 ZINC000029531006 401857053 /nfs/dbraw/zinc/85/70/53/401857053.db2.gz IUQWPDVGWJIKJA-UHFFFAOYSA-N 1 0 309.373 2.453 50 0 DEAARO O=C(NC1CC[NH+](CCOc2cccc(F)c2)CC1)C1CC1 ZINC000030287537 401862337 /nfs/dbraw/zinc/86/23/37/401862337.db2.gz WWUJETOEYQHDRU-UHFFFAOYSA-N 1 0 306.381 2.195 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000078783605 401865777 /nfs/dbraw/zinc/86/57/77/401865777.db2.gz CUPNPRMSLXAWKQ-CYBMUJFWSA-N 1 0 305.809 2.308 50 0 DEAARO C[C@@H]([NH3+])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034929431 401894683 /nfs/dbraw/zinc/89/46/83/401894683.db2.gz UIMOGNCZKXZKQQ-MRXNPFEDSA-N 1 0 323.440 2.267 50 0 DEAARO COCC[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000036030987 401901543 /nfs/dbraw/zinc/90/15/43/401901543.db2.gz JVGUIWIIOVDGEB-KRWDZBQOSA-N 1 0 319.401 2.306 50 0 DEAARO Cc1cccc(OCc2nc(C(=O)NCC[NH+](C)C)cs2)c1 ZINC000036084359 401902145 /nfs/dbraw/zinc/90/21/45/401902145.db2.gz FFSQUOQFTUJGHE-UHFFFAOYSA-N 1 0 319.430 2.322 50 0 DEAARO CCOC(=O)c1sc2[nH]c(C[NH2+]CC(C)C)nc(=O)c2c1C ZINC000036154470 401903175 /nfs/dbraw/zinc/90/31/75/401903175.db2.gz SWXVFZHMILGGFT-UHFFFAOYSA-N 1 0 323.418 2.215 50 0 DEAARO COC(=O)[C@H](NCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000037964858 401919032 /nfs/dbraw/zinc/91/90/32/401919032.db2.gz AEQKJSMTBSTZAY-GFCCVEGCSA-N 1 0 305.205 2.359 50 0 DEAARO CCc1nnsc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000044941698 401951347 /nfs/dbraw/zinc/95/13/47/401951347.db2.gz YYDJTFGNJXAYBY-LBPRGKRZSA-N 1 0 310.467 2.342 50 0 DEAARO Cc1nccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000089735580 401959129 /nfs/dbraw/zinc/95/91/29/401959129.db2.gz SBIOIRWUXLAJIN-KRWDZBQOSA-N 1 0 320.481 2.456 50 0 DEAARO Cc1ccc(F)cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000045744220 401960993 /nfs/dbraw/zinc/96/09/93/401960993.db2.gz LBIOKZXUIIVKOZ-UHFFFAOYSA-N 1 0 314.426 2.287 50 0 DEAARO O=c1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)occ1O ZINC000089830616 401966962 /nfs/dbraw/zinc/96/69/62/401966962.db2.gz KFWFAHRKPXWCAP-HNNXBMFYSA-N 1 0 315.369 2.179 50 0 DEAARO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCn1cccn1 ZINC000089894550 401971383 /nfs/dbraw/zinc/97/13/83/401971383.db2.gz PGQCHDIIMPWNHG-CYBMUJFWSA-N 1 0 304.369 2.419 50 0 DEAARO COc1ccccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000046704694 401971786 /nfs/dbraw/zinc/97/17/86/401971786.db2.gz UILPFVBOLQPXQL-UHFFFAOYSA-N 1 0 314.451 2.092 50 0 DEAARO CCn1c(C)cc(C(=O)NCC2CC[NH+](CCOC)CC2)c1C ZINC000089300316 401941884 /nfs/dbraw/zinc/94/18/84/401941884.db2.gz OGMFAEBRZNAELL-UHFFFAOYSA-N 1 0 321.465 2.213 50 0 DEAARO CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@]12CCc1ccccc12 ZINC000089314261 401942421 /nfs/dbraw/zinc/94/24/21/401942421.db2.gz ZHAXOPFNCKLCIM-CRAIPNDOSA-N 1 0 301.434 2.094 50 0 DEAARO C[C@H]1NC(=O)N(C[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1=O ZINC000048278840 401997061 /nfs/dbraw/zinc/99/70/61/401997061.db2.gz GOILWCPFVKQDID-RISCZKNCSA-N 1 0 321.808 2.417 50 0 DEAARO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000044834840 401948427 /nfs/dbraw/zinc/94/84/27/401948427.db2.gz SAWXBWBFPPCNLJ-INIZCTEOSA-N 1 0 302.349 2.090 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000151053763 402013011 /nfs/dbraw/zinc/01/30/11/402013011.db2.gz ONBJZNNAVDBHLV-MRXNPFEDSA-N 1 0 311.385 2.070 50 0 DEAARO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 ZINC000049580906 402019715 /nfs/dbraw/zinc/01/97/15/402019715.db2.gz ZCKZRHHXMFGZOS-LBPRGKRZSA-N 1 0 316.357 2.018 50 0 DEAARO CN(CC(=O)c1ccc(O)cc1)C(=O)CCC[NH+]1CCCCC1 ZINC000095375057 402029475 /nfs/dbraw/zinc/02/94/75/402029475.db2.gz XSMFEDOXOSVNCS-UHFFFAOYSA-N 1 0 318.417 2.299 50 0 DEAARO O[C@H](Cn1cc(-n2cccc2)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000095438862 402033512 /nfs/dbraw/zinc/03/35/12/402033512.db2.gz FJGDAYZOLTXABN-IBGZPJMESA-N 1 0 322.412 2.093 50 0 DEAARO O[C@H](COc1ccc(F)cc1)CN1CCC([NH+]2CCCC2)CC1 ZINC000051924685 402038206 /nfs/dbraw/zinc/03/82/06/402038206.db2.gz VTEQUOQXCATGIS-KRWDZBQOSA-N 1 0 322.424 2.126 50 0 DEAARO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)CCC2 ZINC000095969382 402038428 /nfs/dbraw/zinc/03/84/28/402038428.db2.gz DBYBVYIPWHCXAN-MNOVXSKESA-N 1 0 316.492 2.496 50 0 DEAARO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)c1ccoc1 ZINC000095971584 402039169 /nfs/dbraw/zinc/03/91/69/402039169.db2.gz CPBHOFZQUJRREN-HNNXBMFYSA-N 1 0 314.341 2.441 50 0 DEAARO [NH3+][C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000095971692 402039179 /nfs/dbraw/zinc/03/91/79/402039179.db2.gz XNISMYMCKNLGNV-QGZVFWFLSA-N 1 0 319.424 2.382 50 0 DEAARO Cc1cc(NCc2ccnc(OCC(F)(F)F)c2)nc(N)[nH+]1 ZINC000052105805 402040016 /nfs/dbraw/zinc/04/00/16/402040016.db2.gz UJAXBZPKNVYGGW-UHFFFAOYSA-N 1 0 313.283 2.315 50 0 DEAARO CC[N@H+](CC(=O)N1CCC(Cn2nc(C)cc2C)CC1)C1CC1 ZINC000095978831 402041054 /nfs/dbraw/zinc/04/10/54/402041054.db2.gz FDZSBKOVHGLPIK-UHFFFAOYSA-N 1 0 318.465 2.223 50 0 DEAARO c1cc2ncnc(N3CCC(C[NH+]4CCOCC4)CC3)c2s1 ZINC000052326019 402041743 /nfs/dbraw/zinc/04/17/43/402041743.db2.gz UISVXKQZJLVFJJ-UHFFFAOYSA-N 1 0 318.446 2.240 50 0 DEAARO CC[N@@H+]1CCC[C@H](NC(=O)NCCCc2ccc(OC)cc2)C1 ZINC000052560250 402043828 /nfs/dbraw/zinc/04/38/28/402043828.db2.gz CVLSUMSDJXTOKN-INIZCTEOSA-N 1 0 319.449 2.411 50 0 DEAARO CCNC(=O)[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000095992473 402044326 /nfs/dbraw/zinc/04/43/26/402044326.db2.gz XKNWOVVPPLBXLC-AWEZNQCLSA-N 1 0 306.381 2.247 50 0 DEAARO CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000095996284 402044855 /nfs/dbraw/zinc/04/48/55/402044855.db2.gz IYHYLFRRTIHXHO-CVEARBPZSA-N 1 0 306.406 2.113 50 0 DEAARO Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000096005715 402045938 /nfs/dbraw/zinc/04/59/38/402045938.db2.gz ZUUABAIHPVBLJA-KRWDZBQOSA-N 1 0 312.417 2.354 50 0 DEAARO CC(C)N1CC[C@H]([NH+]2CCC(CCCn3ccnc3)CC2)C1=O ZINC000096008650 402046518 /nfs/dbraw/zinc/04/65/18/402046518.db2.gz XPSNQIKIYSXUER-KRWDZBQOSA-N 1 0 318.465 2.385 50 0 DEAARO C[N@H+](CCOc1ccc(Cl)cc1Cl)[C@@]1(CO)CCOC1 ZINC000096007183 402046622 /nfs/dbraw/zinc/04/66/22/402046622.db2.gz KBZIEDPDKBWBHR-CQSZACIVSA-N 1 0 320.216 2.455 50 0 DEAARO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(F)cc1Br ZINC000122316147 402071653 /nfs/dbraw/zinc/07/16/53/402071653.db2.gz JJWOEDBASLRJTF-SECBINFHSA-N 1 0 301.159 2.152 50 0 DEAARO CCc1oc(C(=O)NC[C@H]2CCCO2)cc1C[NH+]1CCCC1 ZINC000055060579 402074913 /nfs/dbraw/zinc/07/49/13/402074913.db2.gz RBVGXJYTNFBXQC-CQSZACIVSA-N 1 0 306.406 2.347 50 0 DEAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3C=CC[NH2+]3)cc2)o1 ZINC000055327079 402080008 /nfs/dbraw/zinc/08/00/08/402080008.db2.gz HGMAZLXCCPSYDG-AWEZNQCLSA-N 1 0 311.341 2.307 50 0 DEAARO Cc1ccc(F)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096412706 402080488 /nfs/dbraw/zinc/08/04/88/402080488.db2.gz XFFPIXBNTJSVCO-AWEZNQCLSA-N 1 0 320.408 2.365 50 0 DEAARO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCN2CCOC2=O)C1 ZINC000096414981 402081116 /nfs/dbraw/zinc/08/11/16/402081116.db2.gz SCJITRNFHMJZGB-AWEZNQCLSA-N 1 0 320.364 2.173 50 0 DEAARO CCO[C@H]1C[C@H]([N@H+](C)CCCS(C)(=O)=O)C12CCCC2 ZINC000096419736 402082005 /nfs/dbraw/zinc/08/20/05/402082005.db2.gz DCXVYWGJWMSVRA-KBPBESRZSA-N 1 0 303.468 2.091 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2noc3c2CCCC3)C1 ZINC000096420384 402082833 /nfs/dbraw/zinc/08/28/33/402082833.db2.gz UJSAGTRPHFAXHV-CYBMUJFWSA-N 1 0 322.405 2.067 50 0 DEAARO CCCS(=O)(=O)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000055487301 402083171 /nfs/dbraw/zinc/08/31/71/402083171.db2.gz PWWHWJPNWQWADM-UHFFFAOYSA-N 1 0 302.484 2.457 50 0 DEAARO Fc1ccc(NC2CC[NH+](CCCN3CCOCC3)CC2)cc1 ZINC000096443305 402088324 /nfs/dbraw/zinc/08/83/24/402088324.db2.gz DASINRZNHGFTKR-UHFFFAOYSA-N 1 0 321.440 2.424 50 0 DEAARO Cc1cc2cc(C[NH2+]CCCNS(C)(=O)=O)oc2cc1C ZINC000096453969 402090691 /nfs/dbraw/zinc/09/06/91/402090691.db2.gz YUCRNYPNPPFZQY-UHFFFAOYSA-N 1 0 310.419 2.079 50 0 DEAARO Cc1cncc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000096461211 402091891 /nfs/dbraw/zinc/09/18/91/402091891.db2.gz IWGICSHCGMDSRX-GJZGRUSLSA-N 1 0 305.422 2.009 50 0 DEAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(OC)c1)C(=O)N1CCOCC1 ZINC000096489395 402095717 /nfs/dbraw/zinc/09/57/17/402095717.db2.gz VSIYMPVMCRHOTA-SWLSCSKDSA-N 1 0 324.396 2.122 50 0 DEAARO CCOC(=O)N1CCC([NH2+][C@@H](c2nc(C)no2)C(C)C)CC1 ZINC000096494294 402096446 /nfs/dbraw/zinc/09/64/46/402096446.db2.gz PZZWRTGLTBOSLZ-CYBMUJFWSA-N 1 0 310.398 2.286 50 0 DEAARO CC(C)C[C@@H]([NH2+]C1CCSCC1)c1nc(-c2nc[nH]n2)no1 ZINC000096493853 402096513 /nfs/dbraw/zinc/09/65/13/402096513.db2.gz PUVJKUIETAUYKA-LLVKDONJSA-N 1 0 322.438 2.427 50 0 DEAARO C[N@@H+]1CCCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000058202282 402098768 /nfs/dbraw/zinc/09/87/68/402098768.db2.gz AWQFTDWXFATWGQ-UHFFFAOYSA-N 1 0 324.856 2.489 50 0 DEAARO CC[NH+](CC)CCn1cc(NC(=O)c2ccc[nH]c2=S)cn1 ZINC000058158091 402099101 /nfs/dbraw/zinc/09/91/01/402099101.db2.gz POWSJKYPRNSNDW-UHFFFAOYSA-N 1 0 319.434 2.161 50 0 DEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058338017 402100224 /nfs/dbraw/zinc/10/02/24/402100224.db2.gz ZVHZZVCNCKVJON-HNNXBMFYSA-N 1 0 318.417 2.462 50 0 DEAARO CCCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000058368495 402100978 /nfs/dbraw/zinc/10/09/78/402100978.db2.gz HCPGEAIPQKOQGR-HNNXBMFYSA-N 1 0 310.463 2.402 50 0 DEAARO Fc1ccccc1-n1cc(CN2C[C@@H]3CC[C@H]2C[NH2+]C3)cn1 ZINC000097088193 402105844 /nfs/dbraw/zinc/10/58/44/402105844.db2.gz AQNZGSICXHMAMM-HIFRSBDPSA-N 1 0 300.381 2.195 50 0 DEAARO Cn1nc(C(=O)NCCC[NH+]2CCCC2)cc1-c1ccccc1 ZINC000097087957 402106145 /nfs/dbraw/zinc/10/61/45/402106145.db2.gz ALDUJJLWTVKUKT-UHFFFAOYSA-N 1 0 312.417 2.303 50 0 DEAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccncc2C)C[C@H]1CC ZINC000097104133 402107532 /nfs/dbraw/zinc/10/75/32/402107532.db2.gz PZHPQXVNNPYSNE-OAHLLOKOSA-N 1 0 320.437 2.355 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)no1 ZINC000097112658 402108539 /nfs/dbraw/zinc/10/85/39/402108539.db2.gz IHWDAQDQJIKVRX-WCQYABFASA-N 1 0 301.346 2.076 50 0 DEAARO C[C@@H]1C[C@H](NC(=O)NCCC[C@@H]2CCCCO2)C[N@@H+]1C1CC1 ZINC000097138003 402110588 /nfs/dbraw/zinc/11/05/88/402110588.db2.gz TWGJUYFDSQAGRT-YCPHGPKFSA-N 1 0 309.454 2.260 50 0 DEAARO CCN(C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(C)C ZINC000097141756 402110756 /nfs/dbraw/zinc/11/07/56/402110756.db2.gz UKHOQSFIGSRMDT-IAGOWNOFSA-N 1 0 319.449 2.062 50 0 DEAARO Cc1n[nH]cc1C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000097159173 402112426 /nfs/dbraw/zinc/11/24/26/402112426.db2.gz URJDMKZLBXMNSX-GOSISDBHSA-N 1 0 314.433 2.190 50 0 DEAARO Cc1cn2c(C[NH2+][C@H]3CCc4nnc(C)n4C3)c(C)nc2s1 ZINC000097199397 402115011 /nfs/dbraw/zinc/11/50/11/402115011.db2.gz RBXQAHBCGSNWDI-LBPRGKRZSA-N 1 0 316.434 2.017 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC000063837401 402115525 /nfs/dbraw/zinc/11/55/25/402115525.db2.gz KZHAINZFXLMNGW-CJNGLKHVSA-N 1 0 315.417 2.278 50 0 DEAARO O=C1Cc2ccc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)cc2O1 ZINC000097200733 402116145 /nfs/dbraw/zinc/11/61/45/402116145.db2.gz ZVZZMWOTMZNUCX-HNNXBMFYSA-N 1 0 323.396 2.477 50 0 DEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C=CC[NH2+]2)c1 ZINC000063846081 402116658 /nfs/dbraw/zinc/11/66/58/402116658.db2.gz SKYMZCHIHGVRNU-LBPRGKRZSA-N 1 0 308.765 2.372 50 0 DEAARO C[C@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097370346 402122314 /nfs/dbraw/zinc/12/23/14/402122314.db2.gz YXHHMUOMEABXBE-ZJUUUORDSA-N 1 0 312.776 2.166 50 0 DEAARO c1ccc2c(c1)Cc1c(ncnc1NCC[NH+]1CCCC1)CO2 ZINC000096137669 402061532 /nfs/dbraw/zinc/06/15/32/402061532.db2.gz HGMMTFJTAHFJDE-UHFFFAOYSA-N 1 0 310.401 2.468 50 0 DEAARO CN(C)c1nccnc1N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096151832 402062793 /nfs/dbraw/zinc/06/27/93/402062793.db2.gz OQOSJPFAZFPJAK-HNNXBMFYSA-N 1 0 303.454 2.245 50 0 DEAARO CC(C)c1nn(C)cc1C[NH2+]CCC(=O)NC1CCCCC1 ZINC000054203394 402064523 /nfs/dbraw/zinc/06/45/23/402064523.db2.gz HVIMOHNHEBEHCG-UHFFFAOYSA-N 1 0 306.454 2.472 50 0 DEAARO C[C@@H](c1ccc(-c2cnc3n[nH]nc3c2)cc1)[NH+]1CCOCC1 ZINC000096180092 402064891 /nfs/dbraw/zinc/06/48/91/402064891.db2.gz ZVBIYGMLQXONTQ-LBPRGKRZSA-N 1 0 309.373 2.413 50 0 DEAARO Cc1ncc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)cn1 ZINC000097515033 402126857 /nfs/dbraw/zinc/12/68/57/402126857.db2.gz ONWSWODAKKBCBF-UHFFFAOYSA-N 1 0 324.428 2.394 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000098055851 402135459 /nfs/dbraw/zinc/13/54/59/402135459.db2.gz CNFKQGZKSXLETD-CDNLZTBQSA-N 1 0 310.401 2.048 50 0 DEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2nn(C)c3ccc(C)cc32)C1 ZINC000067948004 402179828 /nfs/dbraw/zinc/17/98/28/402179828.db2.gz SHUQGAJEQPYTIE-CQSZACIVSA-N 1 0 314.433 2.343 50 0 DEAARO C[C@H](C(=O)NC(N)=O)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000067962621 402180971 /nfs/dbraw/zinc/18/09/71/402180971.db2.gz SDHCVMMWWINKIQ-DYVFJYSZSA-N 1 0 323.396 2.218 50 0 DEAARO Cc1nc(C)n(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000067974120 402181263 /nfs/dbraw/zinc/18/12/63/402181263.db2.gz JQKKWSAVGZFDSH-SFHVURJKSA-N 1 0 313.449 2.149 50 0 DEAARO C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccnn2C)CC1 ZINC000103974088 402195900 /nfs/dbraw/zinc/19/59/00/402195900.db2.gz MEYICUPYOBYAHG-CYBMUJFWSA-N 1 0 316.380 2.078 50 0 DEAARO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000067441782 402159697 /nfs/dbraw/zinc/15/96/97/402159697.db2.gz WAYHKDXGRQQZLA-IBGZPJMESA-N 1 0 324.424 2.419 50 0 DEAARO CC[C@@H](NC(=O)c1c(F)cccc1F)C1=CCC[N@H+](CCO)C1 ZINC000067695813 402167714 /nfs/dbraw/zinc/16/77/14/402167714.db2.gz WGKGFMYJZAMWES-OAHLLOKOSA-N 1 0 324.371 2.098 50 0 DEAARO C[C@H](Nc1cc(CC[NH3+])ncn1)c1ccccc1-n1cccn1 ZINC000067754808 402171112 /nfs/dbraw/zinc/17/11/12/402171112.db2.gz GDOGWVWRWKBPLH-ZDUSSCGKSA-N 1 0 308.389 2.337 50 0 DEAARO CCN(CC)C(=O)N1C[C@H]2[C@H](C[N@H+](C)Cc3ccoc3)[C@H]2C1 ZINC000102771891 402172339 /nfs/dbraw/zinc/17/23/39/402172339.db2.gz QVTPTOCGBLAEBB-PHZGNYQRSA-N 1 0 305.422 2.351 50 0 DEAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000069321984 402218220 /nfs/dbraw/zinc/21/82/20/402218220.db2.gz XQQPUKBVJSRCQE-CYBMUJFWSA-N 1 0 320.437 2.240 50 0 DEAARO Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069434168 402223644 /nfs/dbraw/zinc/22/36/44/402223644.db2.gz CGZPDVQMKHAYJQ-HZPDHXFCSA-N 1 0 312.417 2.088 50 0 DEAARO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3ccsc3)C2)no1 ZINC000069453982 402224830 /nfs/dbraw/zinc/22/48/30/402224830.db2.gz ISFHGWHAPKQECD-CYBMUJFWSA-N 1 0 306.435 2.448 50 0 DEAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107220024 402228332 /nfs/dbraw/zinc/22/83/32/402228332.db2.gz DUZSWLWDFSEMDN-CYBMUJFWSA-N 1 0 314.389 2.198 50 0 DEAARO CCOc1ncccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069528962 402229147 /nfs/dbraw/zinc/22/91/47/402229147.db2.gz XQHMXZNDSZHAAR-CABCVRRESA-N 1 0 303.406 2.179 50 0 DEAARO CC[N@@H+]1CCCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 ZINC000069530509 402229237 /nfs/dbraw/zinc/22/92/37/402229237.db2.gz MVOFAEHLAKIPLF-UHFFFAOYSA-N 1 0 313.401 2.438 50 0 DEAARO CN(C)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000069568654 402231957 /nfs/dbraw/zinc/23/19/57/402231957.db2.gz DXXBJSSLUFGIOL-OAHLLOKOSA-N 1 0 317.437 2.240 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000069582945 402232121 /nfs/dbraw/zinc/23/21/21/402232121.db2.gz WUKPCAFDDJQLPE-INIZCTEOSA-N 1 0 314.433 2.206 50 0 DEAARO CCOc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)ccc1OC ZINC000069584855 402233301 /nfs/dbraw/zinc/23/33/01/402233301.db2.gz FJKWLWXLLAFVLB-INIZCTEOSA-N 1 0 320.433 2.047 50 0 DEAARO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)N1CCCC1)C2 ZINC000069623290 402235208 /nfs/dbraw/zinc/23/52/08/402235208.db2.gz PVTJRGPYWXGKNT-CQSZACIVSA-N 1 0 302.418 2.454 50 0 DEAARO COc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1OC ZINC000069697168 402238478 /nfs/dbraw/zinc/23/84/78/402238478.db2.gz PCMJWZKFFKLIDP-GJZGRUSLSA-N 1 0 318.417 2.403 50 0 DEAARO CCOCC[NH+]1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000069700496 402239172 /nfs/dbraw/zinc/23/91/72/402239172.db2.gz PZCIOQOOUIXCOP-UHFFFAOYSA-N 1 0 310.413 2.249 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000069700126 402239195 /nfs/dbraw/zinc/23/91/95/402239195.db2.gz RGNHGEXLSXSGCO-RYUDHWBXSA-N 1 0 308.344 2.041 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2c(F)cccc2F)C1 ZINC000069738868 402242047 /nfs/dbraw/zinc/24/20/47/402242047.db2.gz QNTNNMUHORFBAP-GFUIURDCSA-N 1 0 324.371 2.063 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)n1cccn1 ZINC000069816116 402245854 /nfs/dbraw/zinc/24/58/54/402245854.db2.gz RHIXNAFZZSHQRO-NWDGAFQWSA-N 1 0 319.409 2.346 50 0 DEAARO CCc1nc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cs1 ZINC000069814998 402246069 /nfs/dbraw/zinc/24/60/69/402246069.db2.gz GHBAXJXQSVGISA-UONOGXRCSA-N 1 0 307.463 2.333 50 0 DEAARO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)nc1 ZINC000108095497 402246150 /nfs/dbraw/zinc/24/61/50/402246150.db2.gz CLPBCURHUPKUCS-HUUCEWRRSA-N 1 0 303.406 2.077 50 0 DEAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(CCOc2cccc(F)c2)CC1 ZINC000069878387 402248989 /nfs/dbraw/zinc/24/89/89/402248989.db2.gz WWNAYXGTTBVBSN-KRWDZBQOSA-N 1 0 324.440 2.229 50 0 DEAARO O=C(NCc1ccsc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069924609 402251978 /nfs/dbraw/zinc/25/19/78/402251978.db2.gz JJGGKVVMHGPIRW-OAHLLOKOSA-N 1 0 323.462 2.002 50 0 DEAARO CCOc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](CC)CC1 ZINC000069946477 402252011 /nfs/dbraw/zinc/25/20/11/402252011.db2.gz HJDAZADJPYKNMR-HNNXBMFYSA-N 1 0 319.449 2.440 50 0 DEAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000069928399 402252052 /nfs/dbraw/zinc/25/20/52/402252052.db2.gz VZJMTMLZRSFWNT-SJORKVTESA-N 1 0 301.434 2.490 50 0 DEAARO C[C@H]([C@H](C)[NH2+]CC(=O)NCCC1=CCCCC1)n1cccn1 ZINC000070003958 402254334 /nfs/dbraw/zinc/25/43/34/402254334.db2.gz IAIWUVIMEAHIIX-LSDHHAIUSA-N 1 0 304.438 2.429 50 0 DEAARO C[C@H](Cn1cccn1)[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000070015734 402255105 /nfs/dbraw/zinc/25/51/05/402255105.db2.gz LAFNZDQBYZVFMM-CYBMUJFWSA-N 1 0 320.824 2.221 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000070173571 402258192 /nfs/dbraw/zinc/25/81/92/402258192.db2.gz QSJTWCPTSDCNSM-WDEREUQCSA-N 1 0 302.827 2.088 50 0 DEAARO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000104748238 402204485 /nfs/dbraw/zinc/20/44/85/402204485.db2.gz OIBKSLDWLIZIRD-LBPRGKRZSA-N 1 0 316.854 2.221 50 0 DEAARO CC1CCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000069078815 402213073 /nfs/dbraw/zinc/21/30/73/402213073.db2.gz YTDBLFMWUZZKSG-KRWDZBQOSA-N 1 0 307.482 2.195 50 0 DEAARO Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc[nH+]cc2)on1 ZINC000071195712 402271482 /nfs/dbraw/zinc/27/14/82/402271482.db2.gz DEIULWGVELJLPC-AWEZNQCLSA-N 1 0 323.356 2.371 50 0 DEAARO COCCN1[C@H](C)C[N@@H+](C[C@@H](OC)c2ccccc2)C[C@@H]1C ZINC000225786077 402323855 /nfs/dbraw/zinc/32/38/55/402323855.db2.gz VSOKUUINRNPAGE-SOLBZPMBSA-N 1 0 306.450 2.415 50 0 DEAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)c1ccc[nH]1 ZINC000071278759 402271894 /nfs/dbraw/zinc/27/18/94/402271894.db2.gz IFZIJDIJZSFFMX-CYBMUJFWSA-N 1 0 301.365 2.406 50 0 DEAARO O=C(c1ccc[nH]c1=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000071828432 402284871 /nfs/dbraw/zinc/28/48/71/402284871.db2.gz CESPFKAWRWMMLY-UHFFFAOYSA-N 1 0 317.433 2.103 50 0 DEAARO Cc1nc2ccccn2c1C[NH+]1CCC2(COC(=O)O2)CC1 ZINC000215716685 402284994 /nfs/dbraw/zinc/28/49/94/402284994.db2.gz OQGZFQCKYKQBQV-UHFFFAOYSA-N 1 0 301.346 2.144 50 0 DEAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000215802114 402285006 /nfs/dbraw/zinc/28/50/06/402285006.db2.gz ZLEGNNIWDCBHTN-CQSZACIVSA-N 1 0 308.389 2.086 50 0 DEAARO O=C(Cc1cccc2cccnc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839846 402286751 /nfs/dbraw/zinc/28/67/51/402286751.db2.gz PXOGDPQKDMGGFA-QGZVFWFLSA-N 1 0 309.413 2.474 50 0 DEAARO CCC[N@@H+]1CCCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000071850307 402288236 /nfs/dbraw/zinc/28/82/36/402288236.db2.gz TZJPBBWLWPWIAV-UHFFFAOYSA-N 1 0 312.360 2.288 50 0 DEAARO Cc1c[nH]nc1C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000219583751 402299190 /nfs/dbraw/zinc/29/91/90/402299190.db2.gz NDIXSOIXKLRRKZ-UHFFFAOYSA-N 1 0 312.421 2.097 50 0 DEAARO CC[C@@H](NC(=O)CC[NH+]1Cc2ccccc2C1)C1CC(O)C1 ZINC000223250088 402309979 /nfs/dbraw/zinc/30/99/79/402309979.db2.gz WMUZVTODGXTAPA-OFLPRAFFSA-N 1 0 302.418 2.058 50 0 DEAARO CC(C)(C)c1noc(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000229387281 402343000 /nfs/dbraw/zinc/34/30/00/402343000.db2.gz RNWVXPFHRZWRRU-STQMWFEESA-N 1 0 320.437 2.043 50 0 DEAARO CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000229398069 402343541 /nfs/dbraw/zinc/34/35/41/402343541.db2.gz AFEYZNKQSFRSFQ-CVEARBPZSA-N 1 0 301.390 2.002 50 0 DEAARO O=C(NCC[C@H]1CCCO1)[C@@H]1CCCCN1Cc1cccnc1 ZINC000229630831 402344234 /nfs/dbraw/zinc/34/42/34/402344234.db2.gz BZYFMGCXJYFENV-SJORKVTESA-N 1 0 317.433 2.121 50 0 DEAARO CC(C)Oc1ccc([C@H](O)CNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000229888531 402345391 /nfs/dbraw/zinc/34/53/91/402345391.db2.gz ZVLHZHHWEIBEHO-WMLDXEAASA-N 1 0 320.433 2.108 50 0 DEAARO Cc1nnc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751504 402329894 /nfs/dbraw/zinc/32/98/94/402329894.db2.gz KDENVPMVJPQXBT-CHWSQXEVSA-N 1 0 302.403 2.130 50 0 DEAARO Cc1cnc(C)c(N2CC[NH+](CCCc3ccco3)CC2)n1 ZINC000244787749 402449365 /nfs/dbraw/zinc/44/93/65/402449365.db2.gz QCZRAYSIMJLFIV-UHFFFAOYSA-N 1 0 300.406 2.441 50 0 DEAARO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000162054837 402407491 /nfs/dbraw/zinc/40/74/91/402407491.db2.gz ZQPJIJZGMFGVGX-QMMMGPOBSA-N 1 0 309.357 2.494 50 0 DEAARO COc1ccc2c(c1)OCC(C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])=C2 ZINC000237526423 402411181 /nfs/dbraw/zinc/41/11/81/402411181.db2.gz FNLSJISBVBAFDT-WBMJQRKESA-N 1 0 316.401 2.199 50 0 DEAARO Cc1nc(-c2cccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)c2)n[nH]1 ZINC000237820716 402422209 /nfs/dbraw/zinc/42/22/09/402422209.db2.gz NJFYLLSNXOPGRS-INIZCTEOSA-N 1 0 321.384 2.461 50 0 DEAARO CCOc1nc(C)ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000241720870 402443830 /nfs/dbraw/zinc/44/38/30/402443830.db2.gz QSXNQCDWDIMPOR-GJZGRUSLSA-N 1 0 317.433 2.488 50 0 DEAARO Cc1ccccc1CNC(=O)C[N@@H+](C)CC1(CO)CCCC1 ZINC000244673576 402448082 /nfs/dbraw/zinc/44/80/82/402448082.db2.gz HRXIGHXJSFJHIJ-UHFFFAOYSA-N 1 0 304.434 2.096 50 0 DEAARO CC(C)c1ccccc1NC(=O)CC[N@H+](C)C[C@H]1COCCO1 ZINC000244718881 402448581 /nfs/dbraw/zinc/44/85/81/402448581.db2.gz LSROUVQNQORTID-HNNXBMFYSA-N 1 0 320.433 2.486 50 0 DEAARO CC(C)[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000170073223 402503209 /nfs/dbraw/zinc/50/32/09/402503209.db2.gz AXHDFYHQZWPKKU-SMDDNHRTSA-N 1 0 303.374 2.439 50 0 DEAARO C[NH+](C)[C@H](CN1C(=O)[C@@H]2CCCCN2C1=O)c1cccs1 ZINC000170592402 402505744 /nfs/dbraw/zinc/50/57/44/402505744.db2.gz RBCAEDUTMPWZPL-NWDGAFQWSA-N 1 0 307.419 2.168 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000178966338 402560115 /nfs/dbraw/zinc/56/01/15/402560115.db2.gz KFCCYDCPIFKMDC-GFCCVEGCSA-N 1 0 312.360 2.192 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000179013233 402564861 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C[C@@H]1C[C@@H](N2C(=O)[C@H]3CCCN3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000253419965 402665299 /nfs/dbraw/zinc/66/52/99/402665299.db2.gz AUCMNQMYXWGBSZ-FVQBIDKESA-N 1 0 313.401 2.076 50 0 DEAARO CC(C)CCO[C@H]1CCN([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000253427713 402665873 /nfs/dbraw/zinc/66/58/73/402665873.db2.gz GLIUTYVBIDUSKT-MNOVXSKESA-N 1 0 313.833 2.305 50 0 DEAARO Cn1ncc(Cl)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000253425492 402665908 /nfs/dbraw/zinc/66/59/08/402665908.db2.gz CZGFQHIMQOGZJM-UHFFFAOYSA-N 1 0 301.843 2.172 50 0 DEAARO C[NH2+]C[C@@H](C)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000253433525 402666974 /nfs/dbraw/zinc/66/69/74/402666974.db2.gz XXFHGJBYKGVGJI-SECBINFHSA-N 1 0 305.205 2.344 50 0 DEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000191613771 402681890 /nfs/dbraw/zinc/68/18/90/402681890.db2.gz XOTJWKQQZAHCMC-VIFPVBQESA-N 1 0 317.183 2.363 50 0 DEAARO Cn1cc(C(=O)N2CCCn3ccnc3[C@H]2C2CCCC2)cn1 ZINC000257191476 402701774 /nfs/dbraw/zinc/70/17/74/402701774.db2.gz QJOSRGNOBUWCSH-OAHLLOKOSA-N 1 0 313.405 2.394 50 0 DEAARO Cc1cccnc1C(=O)N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1 ZINC000257191612 402701789 /nfs/dbraw/zinc/70/17/89/402701789.db2.gz QTMVBCYOVUXAHA-IAGOWNOFSA-N 1 0 322.412 2.132 50 0 DEAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000191992809 402702870 /nfs/dbraw/zinc/70/28/70/402702870.db2.gz ROSZULBSKVDSHB-GOEBONIOSA-N 1 0 312.417 2.267 50 0 DEAARO CC[C@H]([NH2+]Cc1sccc1Cl)C(=O)N1CCOCC1 ZINC000193142126 402766843 /nfs/dbraw/zinc/76/68/43/402766843.db2.gz KTJBYMVYQRULLP-NSHDSACASA-N 1 0 302.827 2.129 50 0 DEAARO Cc1cnc(C)c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000195563957 402850983 /nfs/dbraw/zinc/85/09/83/402850983.db2.gz DHOAHUWXOUVFKW-IRXDYDNUSA-N 1 0 312.417 2.141 50 0 DEAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cncnc2)C1 ZINC000278964256 402891198 /nfs/dbraw/zinc/89/11/98/402891198.db2.gz WXQBOJGAZINFPZ-CQSZACIVSA-N 1 0 304.438 2.036 50 0 DEAARO CC[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000283703305 403216528 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C[C@H]1C[C@H](N2C(=O)[C@@H]3CCCN3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000348918791 404109920 /nfs/dbraw/zinc/10/99/20/404109920.db2.gz AUCMNQMYXWGBSZ-BPUTZDHNSA-N 1 0 313.401 2.076 50 0 DEAARO CC[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@]2(CCOC2)O1 ZINC000376022314 404789757 /nfs/dbraw/zinc/78/97/57/404789757.db2.gz SIPSGWZSRCLZNY-DOTOQJQBSA-N 1 0 301.390 2.333 50 0 DEAARO C[C@H](C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)[NH+](C)C ZINC000426474276 405362238 /nfs/dbraw/zinc/36/22/38/405362238.db2.gz NITWBWRKZWYNRZ-SNVBAGLBSA-N 1 0 308.813 2.215 50 0 DEAARO C[C@@H](c1cccc(-c2n[nH]c(C(=O)N(C)C)n2)c1)[NH+]1CCCC1 ZINC000426500074 405364157 /nfs/dbraw/zinc/36/41/57/405364157.db2.gz IURGLXJVWWZFMF-LBPRGKRZSA-N 1 0 313.405 2.330 50 0 DEAARO COc1cc(/C=C\C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc(OC)c1 ZINC000493715156 405550534 /nfs/dbraw/zinc/55/05/34/405550534.db2.gz BNIDIYYRBMQKTC-RFAOOOJCSA-N 1 0 318.417 2.445 50 0 DEAARO COc1ccc(C2(C(=O)N3CC(n4ccnc4C)C3)CC2)cc1 ZINC000575551046 406812153 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Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000408518976 227240664 /nfs/dbraw/zinc/24/06/64/227240664.db2.gz OCXDYVVMPKWIMW-SFHVURJKSA-N 1 0 309.413 2.496 50 0 DEAARO O=C(NCc1ccoc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000047008898 424823410 /nfs/dbraw/zinc/82/34/10/424823410.db2.gz HHXHRNXQGDGMSY-UHFFFAOYSA-N 1 0 323.462 2.440 50 0 DEAARO C[NH+](C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCC1 ZINC000047498780 424826050 /nfs/dbraw/zinc/82/60/50/424826050.db2.gz DLBZBKAQJJVLER-UHFFFAOYSA-N 1 0 309.439 2.411 50 0 DEAARO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](C(N)=O)C3)n2)cc1F ZINC000048042256 424830092 /nfs/dbraw/zinc/83/00/92/424830092.db2.gz YICDXRLCZJCXNL-PWSUYJOCSA-N 1 0 318.352 2.052 50 0 DEAARO CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(=O)n2nccc2[nH]1 ZINC000101025778 424846287 /nfs/dbraw/zinc/84/62/87/424846287.db2.gz BASJGAYQPXSUPE-UHFFFAOYSA-N 1 0 318.327 2.323 50 0 DEAARO CC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000244574978 424886419 /nfs/dbraw/zinc/88/64/19/424886419.db2.gz CUPHAQUUBNNLPT-MRXNPFEDSA-N 1 0 302.418 2.438 50 0 DEAARO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCCn3ccnc31)CC2 ZINC000655743687 425644418 /nfs/dbraw/zinc/64/44/18/425644418.db2.gz KDGDDYXJDQQNRP-OLZOCXBDSA-N 1 0 300.410 2.038 50 0 DEAARO O=C(NC[C@@H]1C[NH2+]CCCO1)C1(c2cccs2)CCCCC1 ZINC000333599939 268960026 /nfs/dbraw/zinc/96/00/26/268960026.db2.gz UYNCOBMDSRAWPW-AWEZNQCLSA-N 1 0 322.474 2.445 50 0 DEAARO C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000004265729 273900362 /nfs/dbraw/zinc/90/03/62/273900362.db2.gz JPWYQLPVJGLXKM-UHFFFAOYSA-N 1 0 305.385 2.444 50 0 DEAARO COCCC[NH+]1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O ZINC000072165317 274020206 /nfs/dbraw/zinc/02/02/06/274020206.db2.gz YAKSGDYXSIECPP-SJORKVTESA-N 1 0 305.418 2.119 50 0 DEAARO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000242677031 275521305 /nfs/dbraw/zinc/52/13/05/275521305.db2.gz SVSJLQFWKYTFNL-LSDHHAIUSA-N 1 0 306.406 2.004 50 0 DEAARO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000079336604 276194139 /nfs/dbraw/zinc/19/41/39/276194139.db2.gz MLMCVKYJHDTNSI-GOSISDBHSA-N 1 0 315.461 2.378 50 0 DEAARO C[C@H](C[N@H+](C)Cc1ccc2cccc(O)c2n1)N1CCOCC1 ZINC000067919581 279281429 /nfs/dbraw/zinc/28/14/29/279281429.db2.gz PDQTVBIFDGUMMY-CQSZACIVSA-N 1 0 315.417 2.093 50 0 DEAARO CC(C)[C@H]([NH3+])C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000095996133 280272913 /nfs/dbraw/zinc/27/29/13/280272913.db2.gz SGIVMFYVSYMEOQ-CJNGLKHVSA-N 1 0 307.413 2.014 50 0 DEAARO Cc1nc2c(c(=O)[nH]1)C[N@H+](C[C@@H]1CCOc3ccccc3C1)C2 ZINC000095511760 282007340 /nfs/dbraw/zinc/00/73/40/282007340.db2.gz WXXSBYVSBHYOGO-CYBMUJFWSA-N 1 0 311.385 2.035 50 0 DEAARO C[C@H]([C@H](C)[NH2+]Cc1cn(C)nc1-c1cccnc1)n1cccn1 ZINC000069376008 290206881 /nfs/dbraw/zinc/20/68/81/290206881.db2.gz YCSSBRGDVQSNIO-UONOGXRCSA-N 1 0 310.405 2.418 50 0 DEAARO Cc1cnn(CCC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000091550503 302400561 /nfs/dbraw/zinc/40/05/61/302400561.db2.gz RTRQQSSJRZKCNH-KRWDZBQOSA-N 1 0 318.465 2.449 50 0 DEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 ZINC000534582458 334289723 /nfs/dbraw/zinc/28/97/23/334289723.db2.gz JNUBSRIPCQUNDP-ZDUSSCGKSA-N 1 0 300.402 2.277 50 0 DEAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCc2[nH]c(C)nc2C1 ZINC000534634269 334308622 /nfs/dbraw/zinc/30/86/22/334308622.db2.gz KHQTVLPIHGYCBP-CYBMUJFWSA-N 1 0 321.469 2.296 50 0 DEAARO O=C1CC[C@H]([NH2+]Cc2cccc(CO)c2)CCN1CC1CC1 ZINC000534635505 334309018 /nfs/dbraw/zinc/30/90/18/334309018.db2.gz PATJRSBJFYSOMG-KRWDZBQOSA-N 1 0 302.418 2.060 50 0 DEAARO c1ccc(N2CCC([NH2+][C@H]3COC[C@@H]3N3CCCC3)CC2)cc1 ZINC000534662005 334322438 /nfs/dbraw/zinc/32/24/38/334322438.db2.gz SFGYPGFPASWTJU-OALUTQOASA-N 1 0 315.461 2.108 50 0 DEAARO C[C@@H](C(=O)Nc1ccc(OCCO)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000156404193 337383381 /nfs/dbraw/zinc/38/33/81/337383381.db2.gz LEOPPIGRYAXBMT-MCIONIFRSA-N 1 0 306.406 2.258 50 0 DEAARO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC(CO)CC2)[C@H]1C ZINC000241630834 533766433 /nfs/dbraw/zinc/76/64/33/533766433.db2.gz 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Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000071753776 649181450 /nfs/dbraw/zinc/18/14/50/649181450.db2.gz FWVZWWABDZTHLG-HUUCEWRRSA-N 1 0 312.417 2.028 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072125244 649288767 /nfs/dbraw/zinc/28/87/67/649288767.db2.gz BKQWBMYRGNMPNI-AWEZNQCLSA-N 1 0 304.438 2.465 50 0 DEAARO CC[NH+](CC)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012714803 683843678 /nfs/dbraw/zinc/84/36/78/683843678.db2.gz XMEQIZHYYVCSTO-KRWDZBQOSA-N 1 0 308.397 2.021 50 0 DEAARO O=C1[C@H]2CC[C@H](CN(c3cc[nH+]cc3)C2)N1Cc1cscn1 ZINC000091289418 684036276 /nfs/dbraw/zinc/03/62/76/684036276.db2.gz HLVNUTPFBYXYCT-SWLSCSKDSA-N 1 0 314.414 2.166 50 0 DEAARO O=C(NCc1ccc(F)cc1F)c1cnc(C2CC[NH2+]CC2)o1 ZINC000864096048 686619218 /nfs/dbraw/zinc/61/92/18/686619218.db2.gz WXQRLRQVPVBODO-UHFFFAOYSA-N 1 0 321.327 2.350 50 0 DEAARO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)N1CCc2ccccc21 ZINC000887268690 692318321 /nfs/dbraw/zinc/31/83/21/692318321.db2.gz 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Cc1cc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc2sc(N)nc21 ZINC001506396501 1061936605 /nfs/dbraw/zinc/93/66/05/1061936605.db2.gz UPWFXKXCQPMCLQ-JTQLQIEISA-N 1 0 304.419 2.467 50 0 DEAARO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc2ccc(F)cc12 ZINC001506401283 1061938454 /nfs/dbraw/zinc/93/84/54/1061938454.db2.gz CJVYAKLSEYXSQG-AWEZNQCLSA-N 1 0 302.397 2.340 50 0 DEAARO Cc1nc2ccccc2c(NC[C@@H]2CCC[N@H+](CCO)C2)n1 ZINC001506413683 1061956866 /nfs/dbraw/zinc/95/68/66/1061956866.db2.gz LIHLMVSGDBJAKX-AWEZNQCLSA-N 1 0 300.406 2.054 50 0 DEAARO Cc1nc2ccccc2c(NC[C@H]2CCC[N@H+](CCO)C2)n1 ZINC001506413686 1061957944 /nfs/dbraw/zinc/95/79/44/1061957944.db2.gz LIHLMVSGDBJAKX-CQSZACIVSA-N 1 0 300.406 2.054 50 0 DEAARO CC(C)Sc1nnc(NC(=O)[C@H]2CC23CC[NH2+]CC3)s1 ZINC001506425733 1061968866 /nfs/dbraw/zinc/96/88/66/1061968866.db2.gz GCOFSOULNCZZTB-SECBINFHSA-N 1 0 312.464 2.367 50 0 DEAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccnnc3)cc2)CC1 ZINC000823764847 1090697238 /nfs/dbraw/zinc/69/72/38/1090697238.db2.gz 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Cn1ccnc1CCC[N@H+](C)[C@H]1CCOC2(CCOCC2)C1 ZINC000082099296 192355501 /nfs/dbraw/zinc/35/55/01/192355501.db2.gz UVOJGWRIWRMEQN-HNNXBMFYSA-N 1 0 307.438 2.013 50 0 DEAARO COc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c2ccccc12 ZINC000092754366 185338358 /nfs/dbraw/zinc/33/83/58/185338358.db2.gz NBJHPNIEZFMXHP-UHFFFAOYSA-N 1 0 313.401 2.435 50 0 DEAARO CC[C@H]1[C@@H](c2ccc(C)cc2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000095404908 185355415 /nfs/dbraw/zinc/35/54/15/185355415.db2.gz SZEQHNXGXCSYTD-CVEARBPZSA-N 1 0 315.417 2.115 50 0 DEAARO C[N@H+](C[C@H]1CCCO1)C1CCN(CCc2ccccn2)CC1 ZINC000095408731 185356636 /nfs/dbraw/zinc/35/66/36/185356636.db2.gz QMROSXJOEXAYAM-GOSISDBHSA-N 1 0 303.450 2.199 50 0 DEAARO Cc1c(Cl)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nn1C ZINC000082146691 192362441 /nfs/dbraw/zinc/36/24/41/192362441.db2.gz DBYMDHHASAWTOS-UHFFFAOYSA-N 1 0 324.856 2.472 50 0 DEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000095430329 185363020 /nfs/dbraw/zinc/36/30/20/185363020.db2.gz DTDNVKWJDUSTKF-SNVBAGLBSA-N 1 0 320.343 2.052 50 0 DEAARO Cc1cccnc1NC(=O)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000095444971 185367260 /nfs/dbraw/zinc/36/72/60/185367260.db2.gz COBVDERTKUVPGQ-HOTGVXAUSA-N 1 0 317.433 2.344 50 0 DEAARO COC(=O)N1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)c2)C1 ZINC000097022822 185398607 /nfs/dbraw/zinc/39/86/07/185398607.db2.gz PMJLDGUKDAHCQC-KRWDZBQOSA-N 1 0 313.401 2.467 50 0 DEAARO C[NH+](C)CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000097052286 185404346 /nfs/dbraw/zinc/40/43/46/185404346.db2.gz KZORUQLBRWWKBI-UHFFFAOYSA-N 1 0 322.153 2.410 50 0 DEAARO Cc1cc([C@](C)(O)CNC(=O)CCC[NH+]2CCCCC2)c(C)o1 ZINC000081818893 539384971 /nfs/dbraw/zinc/38/49/71/539384971.db2.gz KCBIRPBUDZOJFL-GOSISDBHSA-N 1 0 322.449 2.486 50 0 DEAARO COC(=O)[C@@H]1C[C@@H](O)[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC000083423124 539389516 /nfs/dbraw/zinc/38/95/16/539389516.db2.gz JDLGCUAPLDHNLA-BHYGNILZSA-N 1 0 321.392 2.318 50 0 DEAARO CCc1nc(C[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)cs1 ZINC000083830330 539390249 /nfs/dbraw/zinc/39/02/49/539390249.db2.gz FAUATVHWJQUYLQ-NHYWBVRUSA-N 1 0 306.435 2.306 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnnn1CC(F)(F)F ZINC000330032598 530052204 /nfs/dbraw/zinc/05/22/04/530052204.db2.gz PQSMVHITSUUFEI-SECBINFHSA-N 1 0 309.361 2.202 50 0 DEAARO Cc1nc(/C=C\C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cs1 ZINC000103937794 539437405 /nfs/dbraw/zinc/43/74/05/539437405.db2.gz YWEGCOKBCQLTAG-IDTUSYRASA-N 1 0 323.462 2.034 50 0 DEAARO CCn1c(CC[NH3+])nnc1Sc1ccc(C(F)(F)F)cn1 ZINC000170608349 197788652 /nfs/dbraw/zinc/78/86/52/197788652.db2.gz FTRGJKHJCYRTKB-UHFFFAOYSA-N 1 0 317.340 2.364 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000227187898 201796873 /nfs/dbraw/zinc/79/68/73/201796873.db2.gz BLOMDXSUJSPZMO-JQWIXIFHSA-N 1 0 302.465 2.113 50 0 DEAARO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CSCCS1 ZINC000170048469 539614373 /nfs/dbraw/zinc/61/43/73/539614373.db2.gz XOZMQNVZTVGLDK-CYBMUJFWSA-N 1 0 302.509 2.264 50 0 DEAARO Cc1ncsc1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071764203 191028265 /nfs/dbraw/zinc/02/82/65/191028265.db2.gz RQMFQCBKFOFJQQ-UHFFFAOYSA-N 1 0 307.463 2.376 50 0 DEAARO O[C@H]1C[C@H]2C[N@@H+](Cc3ccc([C@H]4CCCCO4)o3)C[C@H]2C[C@@H]1O ZINC000072135381 191047094 /nfs/dbraw/zinc/04/70/94/191047094.db2.gz CLWLRIXVYFYJHB-QMPXSYISSA-N 1 0 321.417 2.085 50 0 DEAARO C[C@H](c1nncn1C)n1ccnc1-c1cc(C[NH+](C)C)cs1 ZINC000072121766 191040820 /nfs/dbraw/zinc/04/08/20/191040820.db2.gz TUCQQYLIBQUONP-LLVKDONJSA-N 1 0 316.434 2.411 50 0 DEAARO CN(C)c1ncc(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)cn1 ZINC000072128977 191043807 /nfs/dbraw/zinc/04/38/07/191043807.db2.gz VFDNQNCOUNWKEM-UHFFFAOYSA-N 1 0 322.416 2.360 50 0 DEAARO CN(Cc1nc(-c2cccnc2)no1)Cc1cccc(CC[NH3+])c1 ZINC000072143916 191051330 /nfs/dbraw/zinc/05/13/30/191051330.db2.gz NOFLIKPXNVCDKZ-UHFFFAOYSA-N 1 0 323.400 2.265 50 0 DEAARO Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H]([NH3+])CC1 ZINC000072163953 191063501 /nfs/dbraw/zinc/06/35/01/191063501.db2.gz NVANYKOHFOUSTD-NSHDSACASA-N 1 0 304.419 2.102 50 0 DEAARO O=C([O-])[C@H]1CC2(C[N@@H+]1Cc1cc3ccccc3[nH]1)CC[NH2+]CC2 ZINC000072164275 191063674 /nfs/dbraw/zinc/06/36/74/191063674.db2.gz SPHVULGIVYJWLJ-MRXNPFEDSA-N 1 0 313.401 2.197 50 0 DEAARO CCCc1noc(CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000072297873 191112785 /nfs/dbraw/zinc/11/27/85/191112785.db2.gz GGVKGCDXMYYBOW-CYBMUJFWSA-N 1 0 324.469 2.437 50 0 DEAARO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000225599360 186281945 /nfs/dbraw/zinc/28/19/45/186281945.db2.gz FXDPOVRHLTXGTM-BBRMVZONSA-N 1 0 312.454 2.384 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)sc1C ZINC000253369433 186300993 /nfs/dbraw/zinc/30/09/93/186300993.db2.gz CNHCQEFDWTWTAF-JQWIXIFHSA-N 1 0 302.465 2.113 50 0 DEAARO Cc1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)ccc1F ZINC000072422545 191158145 /nfs/dbraw/zinc/15/81/45/191158145.db2.gz UDDKUGQPPBVKPR-UHFFFAOYSA-N 1 0 313.376 2.413 50 0 DEAARO Cc1nc([C@@H](C)n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cs1 ZINC000072422477 191158477 /nfs/dbraw/zinc/15/84/77/191158477.db2.gz UDZMEDJOWRGQRH-SNVBAGLBSA-N 1 0 314.418 2.224 50 0 DEAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(CCC(C)(C)O)cc3)C[C@H]21 ZINC000072423113 191159035 /nfs/dbraw/zinc/15/90/35/191159035.db2.gz TXVVJZKPJWUSPP-DLBZAZTESA-N 1 0 316.445 2.166 50 0 DEAARO COc1cc2c(cc1C[N@@H+]1CCC[C@]3(CNC(=O)O3)C1)CCC2 ZINC000072425049 191160263 /nfs/dbraw/zinc/16/02/63/191160263.db2.gz BQVBSPAJDLNSDQ-SFHVURJKSA-N 1 0 316.401 2.258 50 0 DEAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccnn1C(F)F ZINC000072469196 191175920 /nfs/dbraw/zinc/17/59/20/191175920.db2.gz QKYTZEKJPDZHJV-LLVKDONJSA-N 1 0 300.353 2.225 50 0 DEAARO FC(F)(F)c1ccccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097088435 282924250 /nfs/dbraw/zinc/92/42/50/282924250.db2.gz FCGDCVZJUJCPES-CQSZACIVSA-N 1 0 313.367 2.185 50 0 DEAARO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000003790774 181046562 /nfs/dbraw/zinc/04/65/62/181046562.db2.gz GAYSOZKZPOVDSB-HZMBPMFUSA-N 1 0 323.824 2.145 50 0 in-vitro DEAARO Cc1cc(Cl)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003605646 181039552 /nfs/dbraw/zinc/03/95/52/181039552.db2.gz BYFALTNERZTGEJ-UHFFFAOYSA-N 1 0 323.809 2.334 50 0 DEAARO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCC(=O)N(CCCC(C)C)CC1 ZINC000012040109 354023904 /nfs/dbraw/zinc/02/39/04/354023904.db2.gz XHFKVOYCDZZXAP-CVEARBPZSA-N 1 0 324.465 2.441 50 0 DEAARO CN1CCN(C(=O)OCc2ccccc2)[C@@H](C[NH+]2CCCC2)C1 ZINC000004269162 181089947 /nfs/dbraw/zinc/08/99/47/181089947.db2.gz MBIJGRWLFJPRJW-QGZVFWFLSA-N 1 0 317.433 2.035 50 0 DEAARO Cc1ccc([C@@H](CNC(=O)CCCn2cccn2)[NH+](C)C)cc1 ZINC000051469763 354385630 /nfs/dbraw/zinc/38/56/30/354385630.db2.gz QEWNCTSIRMELBM-QGZVFWFLSA-N 1 0 314.433 2.391 50 0 DEAARO Fc1ccc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000075094669 355068208 /nfs/dbraw/zinc/06/82/08/355068208.db2.gz ZVOKKDRTMLWJLD-AWEZNQCLSA-N 1 0 316.380 2.070 50 0 DEAARO CCC(CC)[C@@H](CNC(=O)NCCc1ccccn1)[NH+](C)C ZINC000076093805 355125583 /nfs/dbraw/zinc/12/55/83/355125583.db2.gz JKUPXPSKNRNTSM-MRXNPFEDSA-N 1 0 306.454 2.290 50 0 DEAARO CC[NH+](CC)CCNC(=O)/C=C1\Sc2ccccc2NC1=O ZINC000004931706 181174517 /nfs/dbraw/zinc/17/45/17/181174517.db2.gz AZNLHMZVMAXOKT-KAMYIIQDSA-N 1 0 319.430 2.073 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccn3C)C2)c1 ZINC000078996548 355290287 /nfs/dbraw/zinc/29/02/87/355290287.db2.gz ZCQSINGKGFQTIG-CQSZACIVSA-N 1 0 315.417 2.411 50 0 DEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000095753384 355697396 /nfs/dbraw/zinc/69/73/96/355697396.db2.gz WIVHHJZQKWCBGX-YXJHDRRASA-N 1 0 310.397 2.001 50 0 biogenic DEAARO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234330 355703169 /nfs/dbraw/zinc/70/31/69/355703169.db2.gz YUANFILFFFVBGA-JKSUJKDBSA-N 1 0 317.437 2.131 50 0 DEAARO O=C(NC1CC1)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000097371061 355704256 /nfs/dbraw/zinc/70/42/56/355704256.db2.gz BKWQCMDLZOTEQZ-JKSUJKDBSA-N 1 0 304.459 2.362 50 0 DEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1n[nH]c2ccccc12 ZINC000110993370 355746092 /nfs/dbraw/zinc/74/60/92/355746092.db2.gz WSCZBSKASYUPFT-CYBMUJFWSA-N 1 0 300.406 2.096 50 0 DEAARO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCSC3)C2=O)c1 ZINC000129165828 355833089 /nfs/dbraw/zinc/83/30/89/355833089.db2.gz AHGWDKCVQGBTJZ-WFASDCNBSA-N 1 0 306.431 2.286 50 0 DEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]ccc1=O ZINC000170610215 355989304 /nfs/dbraw/zinc/98/93/04/355989304.db2.gz VJBHCEOVAHETFV-INIZCTEOSA-N 1 0 311.385 2.354 50 0 DEAARO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)C(F)(F)F ZINC000182058955 356107184 /nfs/dbraw/zinc/10/71/84/356107184.db2.gz QRBQDUACGKCLIH-UHFFFAOYSA-N 1 0 302.296 2.144 50 0 DEAARO CCC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000195555016 356257064 /nfs/dbraw/zinc/25/70/64/356257064.db2.gz OBGVVRALGFDCDJ-MRXNPFEDSA-N 1 0 308.397 2.461 50 0 DEAARO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1Cl ZINC000195555355 356257201 /nfs/dbraw/zinc/25/72/01/356257201.db2.gz VLMKSEUMIAOHTI-WDEREUQCSA-N 1 0 302.827 2.149 50 0 DEAARO C[NH+](C)[C@@]1(C(=O)N2CCc3cnccc32)CCc2ccccc21 ZINC000195567850 356258133 /nfs/dbraw/zinc/25/81/33/356258133.db2.gz UXZZANJQWYHCNB-IBGZPJMESA-N 1 0 307.397 2.374 50 0 DEAARO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCc3ccccc3C2)C1 ZINC000195570434 356258238 /nfs/dbraw/zinc/25/82/38/356258238.db2.gz UNQDWFNBKNETHY-HOTGVXAUSA-N 1 0 315.461 2.385 50 0 DEAARO COCCN(C)c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cn1 ZINC000248809616 356325337 /nfs/dbraw/zinc/32/53/37/356325337.db2.gz CIUOTKMFCOEOGG-DLBZAZTESA-N 1 0 319.449 2.165 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([C@H]2CCCO2)n1 ZINC000249081587 356326975 /nfs/dbraw/zinc/32/69/75/356326975.db2.gz AGGDQZIVVFGNDL-FRRDWIJNSA-N 1 0 309.435 2.128 50 0 DEAARO CCCCOCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000252477766 356334131 /nfs/dbraw/zinc/33/41/31/356334131.db2.gz VFLZEEQVIJCYCA-ULQDDVLXSA-N 1 0 323.481 2.319 50 0 DEAARO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000380226203 356669259 /nfs/dbraw/zinc/66/92/59/356669259.db2.gz WXXCLYPKKJSUTE-JTQLQIEISA-N 1 0 318.236 2.222 50 0 DEAARO COC[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000237069432 202142485 /nfs/dbraw/zinc/14/24/85/202142485.db2.gz XBLPHLJOLHWGTC-AAEUAGOBSA-N 1 0 316.323 2.119 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 ZINC000237056972 202138458 /nfs/dbraw/zinc/13/84/58/202138458.db2.gz XJIJSQMKVZVRMB-RCMYXZNBSA-N 1 0 324.428 2.344 50 0 DEAARO CCCCOc1ncccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000585089769 540256114 /nfs/dbraw/zinc/25/61/14/540256114.db2.gz YEJGPNWDGRMEAF-UKRRQHHQSA-N 1 0 305.422 2.217 50 0 DEAARO CN(C(=O)c1ccc(N2CCCC2)c(F)c1)C1CC[NH2+]CC1 ZINC000237106259 202155075 /nfs/dbraw/zinc/15/50/75/202155075.db2.gz SNAGVRARPFMRRJ-UHFFFAOYSA-N 1 0 305.397 2.250 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000237162580 202171627 /nfs/dbraw/zinc/17/16/27/202171627.db2.gz FPNBWWSHNNFMQA-SNAWJCMRSA-N 1 0 324.808 2.192 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000237228353 202196603 /nfs/dbraw/zinc/19/66/03/202196603.db2.gz HDZJJJCZHLLSHE-GFCCVEGCSA-N 1 0 316.323 2.295 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000237255423 202206392 /nfs/dbraw/zinc/20/63/92/202206392.db2.gz BQSSJCVWWGPCQX-AWEZNQCLSA-N 1 0 319.424 2.498 50 0 DEAARO COc1ccc2c(CC(=O)N3CCC[C@@H](C[NH3+])C3)coc2c1 ZINC000237267101 202210708 /nfs/dbraw/zinc/21/07/08/202210708.db2.gz JMPRZKMGQYQGNX-LBPRGKRZSA-N 1 0 302.374 2.181 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000178336065 198851287 /nfs/dbraw/zinc/85/12/87/198851287.db2.gz HSMOOGZOWUIZGI-ZDUSSCGKSA-N 1 0 316.380 2.083 50 0 DEAARO COc1cccc(SCC(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000584887875 357325832 /nfs/dbraw/zinc/32/58/32/357325832.db2.gz LOERMXSITYWFNN-KGLIPLIRSA-N 1 0 320.458 2.482 50 0 DEAARO CCOC(=O)N1CC[C@@H]([NH2+]CCc2nc3ccccc3o2)C1 ZINC000584892065 357327711 /nfs/dbraw/zinc/32/77/11/357327711.db2.gz PESBLUFIYNIQSX-GFCCVEGCSA-N 1 0 303.362 2.191 50 0 DEAARO Cc1cc(OC(F)F)c(C(=O)N2CCC3(C[NH2+]C3)CC2)s1 ZINC000585136578 357337117 /nfs/dbraw/zinc/33/71/17/357337117.db2.gz LRHVHOXLPAZWEO-UHFFFAOYSA-N 1 0 316.373 2.484 50 0 DEAARO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc2c(c1)CCC2 ZINC000178623034 198899270 /nfs/dbraw/zinc/89/92/70/198899270.db2.gz SGWLMXGPFIYDED-GOSISDBHSA-N 1 0 313.445 2.284 50 0 DEAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000097113855 283317646 /nfs/dbraw/zinc/31/76/46/283317646.db2.gz CUFNXQQOWWDVNO-KOLCDFICSA-N 1 0 301.312 2.234 50 0 DEAARO C[C@H]([NH2+]C1CCC(O)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000089598521 299270753 /nfs/dbraw/zinc/27/07/53/299270753.db2.gz OCLXIWYYVLSODH-RXQRSOPUSA-N 1 0 318.461 2.342 50 0 DEAARO Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000237327890 202233668 /nfs/dbraw/zinc/23/36/68/202233668.db2.gz VSLLEHGSYPBGKW-MNOVXSKESA-N 1 0 318.389 2.021 50 0 DEAARO CNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000177716303 283353048 /nfs/dbraw/zinc/35/30/48/283353048.db2.gz OHFWTRBFIOOZOM-JNSOCZORSA-N 1 0 315.417 2.400 50 0 DEAARO C[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@H]1C[NH3+] ZINC000237651421 202318672 /nfs/dbraw/zinc/31/86/72/202318672.db2.gz VRWRFIULLQYXCD-LRDDRELGSA-N 1 0 316.380 2.211 50 0 DEAARO C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC[NH2+]1 ZINC000237721062 202338217 /nfs/dbraw/zinc/33/82/17/202338217.db2.gz SSFACFLFNPUAPH-ZDUSSCGKSA-N 1 0 322.836 2.209 50 0 DEAARO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH3+])[C@@H](n2cc(C(C)(C)C)nn2)C1 ZINC000669371559 540823611 /nfs/dbraw/zinc/82/36/11/540823611.db2.gz GLVDYJZTWRDUCA-TUAOUCFPSA-N 1 0 308.426 2.196 50 0 DEAARO OC[C@H]1CCC[N@H+](CCNc2cccc(C(F)(F)F)n2)C1 ZINC000670439860 540933402 /nfs/dbraw/zinc/93/34/02/540933402.db2.gz BVPHJUBVROONPV-NSHDSACASA-N 1 0 303.328 2.217 50 0 DEAARO OC[C@]1([NH2+]CCO[C@@H]2CCCCO2)CCCc2ccccc21 ZINC000281471928 216325278 /nfs/dbraw/zinc/32/52/78/216325278.db2.gz BNKKIAGFTMEROW-QZTJIDSGSA-N 1 0 305.418 2.343 50 0 DEAARO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)sc1C ZINC000195555279 201408874 /nfs/dbraw/zinc/40/88/74/201408874.db2.gz CNHCQEFDWTWTAF-ZYHUDNBSSA-N 1 0 302.465 2.113 50 0 DEAARO COCCCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006594592 181359170 /nfs/dbraw/zinc/35/91/70/181359170.db2.gz JSVPZLKWNPCWJJ-UHFFFAOYSA-N 1 0 321.490 2.152 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000006726109 181377119 /nfs/dbraw/zinc/37/71/19/181377119.db2.gz HJZGPTVNPWCNHA-UHFFFAOYSA-N 1 0 305.378 2.410 50 0 DEAARO Cc1c(C)n(CCC[NH+](C)C)c(-n2cccc2)c1S(C)(=O)=O ZINC000006825231 181395780 /nfs/dbraw/zinc/39/57/80/181395780.db2.gz KRMMCKZHBXILNU-UHFFFAOYSA-N 1 0 323.462 2.251 50 0 DEAARO Cc1cc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000091424963 193054488 /nfs/dbraw/zinc/05/44/88/193054488.db2.gz MKOGTLCJGXMHMP-HUUCEWRRSA-N 1 0 322.474 2.223 50 0 DEAARO COc1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)cc1F ZINC000091602641 193078422 /nfs/dbraw/zinc/07/84/22/193078422.db2.gz NOBWPEVYGLQVOJ-HIFRSBDPSA-N 1 0 308.397 2.493 50 0 DEAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091693825 193093097 /nfs/dbraw/zinc/09/30/97/193093097.db2.gz AFBKUPAWLAMSKL-CHWSQXEVSA-N 1 0 300.805 2.081 50 0 DEAARO CCc1cccc(OC2CN(C(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)C2)c1 ZINC000091745783 193100753 /nfs/dbraw/zinc/10/07/53/193100753.db2.gz LOGZNKNPGQKTMG-CVEARBPZSA-N 1 0 314.429 2.323 50 0 DEAARO CC(C)[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1NC(=O)c1ccnn1C ZINC000091635406 193082940 /nfs/dbraw/zinc/08/29/40/193082940.db2.gz RGUSWLIYWFERAV-CABCVRRESA-N 1 0 304.438 2.049 50 0 DEAARO O=c1cc(C[NH2+]CCN2CCCCC2)[nH]c2c(F)cccc12 ZINC000091636156 193083266 /nfs/dbraw/zinc/08/32/66/193083266.db2.gz VTXIWHCIYZOBPU-UHFFFAOYSA-N 1 0 303.381 2.243 50 0 DEAARO COC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1C(C)C ZINC000091757442 193103371 /nfs/dbraw/zinc/10/33/71/193103371.db2.gz SMGWCVISCTVEMO-CVEARBPZSA-N 1 0 319.449 2.079 50 0 DEAARO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)n1 ZINC000091808494 193111191 /nfs/dbraw/zinc/11/11/91/193111191.db2.gz 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ZINC000093086827 193202534 /nfs/dbraw/zinc/20/25/34/193202534.db2.gz XOZGKDPZLOTTPA-ZWKOTPCHSA-N 1 0 319.493 2.361 50 0 DEAARO CCOc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000095943373 193453238 /nfs/dbraw/zinc/45/32/38/193453238.db2.gz QHUTTWZWQNOXBO-CQSZACIVSA-N 1 0 318.421 2.430 50 0 DEAARO CC[NH+](CC)CCNC(=O)c1cc2cnn(C(C)C)c2nc1C ZINC000095946609 193454293 /nfs/dbraw/zinc/45/42/93/193454293.db2.gz GDCZLMAPDLYFDN-UHFFFAOYSA-N 1 0 317.437 2.392 50 0 DEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CC(C)(C)C)C2=O)c1 ZINC000011661785 181697530 /nfs/dbraw/zinc/69/75/30/181697530.db2.gz IIFAZIBCZSKTJA-IBGZPJMESA-N 1 0 318.461 2.484 50 0 DEAARO CC[N@H+](C)C(C)(C)CNC(=O)[C@@H](c1ccc(F)cc1)N(C)C ZINC000095390459 284332616 /nfs/dbraw/zinc/33/26/16/284332616.db2.gz GIFKVYCVEGYERL-OAHLLOKOSA-N 1 0 309.429 2.275 50 0 DEAARO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccc4nonc4c3)C2)nc1 ZINC000019798595 182150807 /nfs/dbraw/zinc/15/08/07/182150807.db2.gz ZLHHZVQGLUIFNA-MRXNPFEDSA-N 1 0 323.400 2.372 50 0 DEAARO CC[C@H]1CN(Cc2ccc(OC)c(OC)c2OC)CC[N@@H+]1C ZINC000020204612 182197282 /nfs/dbraw/zinc/19/72/82/182197282.db2.gz VIGYCYCEEXAUBN-AWEZNQCLSA-N 1 0 308.422 2.238 50 0 DEAARO OCC[C@H]1C[N@@H+](C2CCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020453922 182219432 /nfs/dbraw/zinc/21/94/32/182219432.db2.gz ZINUKPVQTFCKFA-HNNXBMFYSA-N 1 0 310.388 2.386 50 0 DEAARO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000020543604 182229134 /nfs/dbraw/zinc/22/91/34/182229134.db2.gz NMVQXBIIXOFWDS-UHFFFAOYSA-N 1 0 319.405 2.279 50 0 DEAARO Cc1ccc(-n2ncc3c2ncnc3NCC[NH+](C)C)cc1C ZINC000020661940 182242257 /nfs/dbraw/zinc/24/22/57/182242257.db2.gz PASQBTMFLYBSCL-UHFFFAOYSA-N 1 0 310.405 2.406 50 0 DEAARO Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000022968723 182343985 /nfs/dbraw/zinc/34/39/85/182343985.db2.gz DPQIZTADDSTIRD-CQSZACIVSA-N 1 0 320.462 2.060 50 0 DEAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccco2)c2ccsc2)CC1 ZINC000022765537 182333395 /nfs/dbraw/zinc/33/33/95/182333395.db2.gz NSKHPMDYFZUGEZ-AWEZNQCLSA-N 1 0 319.430 2.060 50 0 DEAARO COc1ccc([C@@H](C[NH2+]Cc2cccnc2)N(C)C)cc1OC ZINC000022924277 182341416 /nfs/dbraw/zinc/34/14/16/182341416.db2.gz LXDVGHVTFKNJIO-MRXNPFEDSA-N 1 0 315.417 2.491 50 0 DEAARO CCc1ccc(C[NH+]2CCC(n3cc(C[C@@H](C)O)nn3)CC2)o1 ZINC000023312053 182356719 /nfs/dbraw/zinc/35/67/19/182356719.db2.gz NOGHLNNUPCPGTR-CYBMUJFWSA-N 1 0 318.421 2.194 50 0 DEAARO Cc1ncc2c(c1-c1nc([C@@H]3CCC[NH2+]C3)cc(=O)[nH]1)CCC2 ZINC000023380454 182359415 /nfs/dbraw/zinc/35/94/15/182359415.db2.gz ZNYLDAYYDDCFSC-CYBMUJFWSA-N 1 0 310.401 2.096 50 0 DEAARO COc1ccccc1Cc1nc([C@@H]2CCC[N@H+](C)C2)cc(=O)[nH]1 ZINC000023430804 182360746 /nfs/dbraw/zinc/36/07/46/182360746.db2.gz FFAMJHSWIUXPMW-CQSZACIVSA-N 1 0 313.401 2.179 50 0 DEAARO CCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583503 183003596 /nfs/dbraw/zinc/00/35/96/183003596.db2.gz WFMXNPWZKCIKGF-UHFFFAOYSA-N 1 0 310.463 2.228 50 0 DEAARO COc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc2c1OCO2 ZINC000039408746 183018779 /nfs/dbraw/zinc/01/87/79/183018779.db2.gz GSPDPXFEAVMOBG-OCCSQVGLSA-N 1 0 304.390 2.092 50 0 DEAARO CCn1nc(C)c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1C ZINC000039530973 183020249 /nfs/dbraw/zinc/02/02/49/183020249.db2.gz BDQFWIFXUBBKLQ-QGZVFWFLSA-N 1 0 322.497 2.044 50 0 DEAARO O=C(c1ccc(F)cc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040539063 183096182 /nfs/dbraw/zinc/09/61/82/183096182.db2.gz HELYDCOXVILFER-UHFFFAOYSA-N 1 0 324.371 2.149 50 0 DEAARO C[NH+](C)CC(C)(C)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000040516091 183089330 /nfs/dbraw/zinc/08/93/30/183089330.db2.gz GWHUZSPLRIEGHE-UHFFFAOYSA-N 1 0 310.442 2.004 50 0 DEAARO Ic1ccc(OC2CC[NH2+]CC2)cc1 ZINC000042782839 183308988 /nfs/dbraw/zinc/30/89/88/183308988.db2.gz GTLXIPHKMBQJIK-UHFFFAOYSA-N 1 0 303.143 2.422 50 0 DEAARO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000043434975 183363109 /nfs/dbraw/zinc/36/31/09/183363109.db2.gz IRGNNIHTFWMXLW-OAHLLOKOSA-N 1 0 313.405 2.125 50 0 DEAARO CC(=O)c1cc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)cs1 ZINC000105627308 194116450 /nfs/dbraw/zinc/11/64/50/194116450.db2.gz NHRZOFBTIZFRGW-OAHLLOKOSA-N 1 0 310.463 2.228 50 0 DEAARO C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000047920293 183609191 /nfs/dbraw/zinc/60/91/91/183609191.db2.gz LBCLRYDSBLRYHG-AWEZNQCLSA-N 1 0 314.433 2.344 50 0 DEAARO O=C(Nc1cn[nH]c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058355942 184107716 /nfs/dbraw/zinc/10/77/16/184107716.db2.gz VRAPGYOYNCIXCR-ZDUSSCGKSA-N 1 0 302.353 2.400 50 0 DEAARO CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000058363510 184108760 /nfs/dbraw/zinc/10/87/60/184108760.db2.gz UAYQUOQEHUPMIH-MRXNPFEDSA-N 1 0 318.417 2.259 50 0 DEAARO COc1c(C[NH2+]C[C@@H](c2cccs2)N(C)C)c(C)nn1C ZINC000058391808 184111230 /nfs/dbraw/zinc/11/12/30/184111230.db2.gz SSMXBXKVRLNRRC-ZDUSSCGKSA-N 1 0 308.451 2.191 50 0 DEAARO C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2Oc2cccnc2)C1 ZINC000058391453 184111537 /nfs/dbraw/zinc/11/15/37/184111537.db2.gz CXLTZPIEGUBWIG-ZDUSSCGKSA-N 1 0 312.373 2.093 50 0 DEAARO O=C(NCc1cc[nH]n1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058294050 184102121 /nfs/dbraw/zinc/10/21/21/184102121.db2.gz IJOAYLMOWDUPMZ-AWEZNQCLSA-N 1 0 316.380 2.077 50 0 DEAARO c1ccc(OCCN2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000060463068 184149909 /nfs/dbraw/zinc/14/99/09/184149909.db2.gz OHEUMSBVKPARRO-UHFFFAOYSA-N 1 0 311.429 2.321 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000060100386 184144718 /nfs/dbraw/zinc/14/47/18/184144718.db2.gz WUZSLXBVPGSTDP-CQSZACIVSA-N 1 0 305.374 2.233 50 0 DEAARO Cc1noc([C@@H](C)N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000064351775 184295136 /nfs/dbraw/zinc/29/51/36/184295136.db2.gz OJLKIQWBJGKQJV-GFCCVEGCSA-N 1 0 306.435 2.361 50 0 DEAARO COC(C)(C)C[C@H](C)[NH2+]CCn1ncc2ccccc2c1=O ZINC000065453195 184346968 /nfs/dbraw/zinc/34/69/68/184346968.db2.gz HIAGYVZHIYYRSU-ZDUSSCGKSA-N 1 0 303.406 2.190 50 0 DEAARO CC(C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000065493339 184354372 /nfs/dbraw/zinc/35/43/72/184354372.db2.gz VKKNIVOUEHTECF-MSOLQXFVSA-N 1 0 316.445 2.478 50 0 DEAARO Cc1nc2c(c(N(C)CCC[C@H]3CCCO3)n1)CC[N@H+](C)CC2 ZINC000065463787 184349589 /nfs/dbraw/zinc/34/95/89/184349589.db2.gz XKNMRHFGYIRRQG-HNNXBMFYSA-N 1 0 318.465 2.211 50 0 DEAARO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C2)n1 ZINC000065487616 184352940 /nfs/dbraw/zinc/35/29/40/184352940.db2.gz WZYZLHPCJBWWAG-INIZCTEOSA-N 1 0 312.417 2.023 50 0 DEAARO CCC[C@@H]([NH2+]C1CCN(C(=O)OCC)CC1)c1nccn1C ZINC000065397889 184335907 /nfs/dbraw/zinc/33/59/07/184335907.db2.gz CIEBWTZIDYUVRS-CQSZACIVSA-N 1 0 308.426 2.472 50 0 DEAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000065494351 184355140 /nfs/dbraw/zinc/35/51/40/184355140.db2.gz VQKKDSFJGYNKQK-UHFFFAOYSA-N 1 0 324.432 2.270 50 0 DEAARO Cn1cc(C[N@H+](C)C[C@H]2CCCN(CCO)C2)c2ccccc21 ZINC000065499835 184355549 /nfs/dbraw/zinc/35/55/49/184355549.db2.gz UINVVESXNNCCJD-MRXNPFEDSA-N 1 0 315.461 2.314 50 0 DEAARO CN(C)c1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000069568657 184526838 /nfs/dbraw/zinc/52/68/38/184526838.db2.gz DXXBJSSLUFGIOL-HNNXBMFYSA-N 1 0 317.437 2.240 50 0 DEAARO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000095908568 285037727 /nfs/dbraw/zinc/03/77/27/285037727.db2.gz WGDOWJROEUCTKV-NSHDSACASA-N 1 0 318.236 2.365 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)s2)C1 ZINC000158400384 197269021 /nfs/dbraw/zinc/26/90/21/197269021.db2.gz XSTSWPSEFNEXOL-OTQAPUNGSA-N 1 0 315.236 2.474 50 0 DEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000158343514 197264470 /nfs/dbraw/zinc/26/44/70/197264470.db2.gz UFSBCGUMURSAEN-HNNXBMFYSA-N 1 0 311.385 2.224 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000158299713 197260792 /nfs/dbraw/zinc/26/07/92/197260792.db2.gz RZLGCUHLNFDETL-LLVKDONJSA-N 1 0 302.296 2.034 50 0 DEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000156513583 197119219 /nfs/dbraw/zinc/11/92/19/197119219.db2.gz NOLNCLNPNJDJHW-YSVLISHTSA-N 1 0 302.418 2.276 50 0 DEAARO COc1cc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000156414651 197112136 /nfs/dbraw/zinc/11/21/36/197112136.db2.gz GXDIJLIDRUULBU-WHIKILRWSA-N 1 0 318.417 2.303 50 0 DEAARO C[C@H](Cc1cccs1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155237344 197035666 /nfs/dbraw/zinc/03/56/66/197035666.db2.gz XBXYIVDLEILZAI-CZUORRHYSA-N 1 0 322.474 2.439 50 0 DEAARO OC1(C[NH2+]Cc2ccccc2N2CCOCC2)CCCCC1 ZINC000066991686 285239215 /nfs/dbraw/zinc/23/92/15/285239215.db2.gz WKBLDFOTYBBVDQ-UHFFFAOYSA-N 1 0 304.434 2.308 50 0 DEAARO Cc1cccc(C(=O)NCCC[NH2+]Cc2cccnc2)c1F ZINC000120918287 195264299 /nfs/dbraw/zinc/26/42/99/195264299.db2.gz ATGKRARFVJDLGQ-UHFFFAOYSA-N 1 0 301.365 2.439 50 0 DEAARO COc1ccc(Cl)cc1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000370799915 257236168 /nfs/dbraw/zinc/23/61/68/257236168.db2.gz JQYKOFLKGXUWET-AWEZNQCLSA-N 1 0 300.761 2.009 50 0 DEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000521394625 257241262 /nfs/dbraw/zinc/24/12/62/257241262.db2.gz JXIUAUUIJSFJPM-CQSZACIVSA-N 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CC[N@H+](C[C@H](O)COC(C)C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146469 401903363 /nfs/dbraw/zinc/90/33/63/401903363.db2.gz LEMWFNLOUKHEDI-DLBZAZTESA-N 1 0 320.433 2.287 50 0 DEAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cncc(Br)c1 ZINC000036713660 401907116 /nfs/dbraw/zinc/90/71/16/401907116.db2.gz WKBYFFFGRLLILO-UHFFFAOYSA-N 1 0 324.222 2.201 50 0 DEAARO COc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000084753047 401909847 /nfs/dbraw/zinc/90/98/47/401909847.db2.gz VWJVKHFICKCKPW-OAHLLOKOSA-N 1 0 306.406 2.052 50 0 DEAARO C[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000037647670 401916554 /nfs/dbraw/zinc/91/65/54/401916554.db2.gz YXUUNMJBXIMUAL-SNVBAGLBSA-N 1 0 322.352 2.344 50 0 DEAARO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)c1ccsc1 ZINC000044909469 401950697 /nfs/dbraw/zinc/95/06/97/401950697.db2.gz IWHYLCYQZQUMJN-AWEZNQCLSA-N 1 0 304.419 2.381 50 0 DEAARO Cc1cc(C[NH2+]CCCS(C)(=O)=O)ccc1Br ZINC000089587464 401953181 /nfs/dbraw/zinc/95/31/81/401953181.db2.gz CYSSZWBASUTPQN-UHFFFAOYSA-N 1 0 320.252 2.282 50 0 DEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC000048311713 401998563 /nfs/dbraw/zinc/99/85/63/401998563.db2.gz KCEUGYOOVOJBME-KGLIPLIRSA-N 1 0 323.462 2.221 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCO1)Cc1ccccc1 ZINC000047508369 401983430 /nfs/dbraw/zinc/98/34/30/401983430.db2.gz XMXFYRHXZPKAIO-SJORKVTESA-N 1 0 304.434 2.235 50 0 DEAARO CCc1ncc(CNc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000089296038 401941861 /nfs/dbraw/zinc/94/18/61/401941861.db2.gz ZQBMFNUVATUMAI-UHFFFAOYSA-N 1 0 317.462 2.464 50 0 DEAARO CC(C)[C@H](CNc1ncnc2ccsc21)[NH+]1CCN(C)CC1 ZINC000044406417 401942376 /nfs/dbraw/zinc/94/23/76/401942376.db2.gz BNZSQZQSRAXREZ-AWEZNQCLSA-N 1 0 319.478 2.375 50 0 DEAARO COCCC1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000089375299 401944119 /nfs/dbraw/zinc/94/41/19/401944119.db2.gz MMXQMOYBZCIQIK-HNNXBMFYSA-N 1 0 311.470 2.224 50 0 DEAARO COc1ccccc1CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000089473628 401948623 /nfs/dbraw/zinc/94/86/23/401948623.db2.gz 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C[C@H](CCc1ccco1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000095959543 402036791 /nfs/dbraw/zinc/03/67/91/402036791.db2.gz SWUCYFNSSZGGKC-CQSZACIVSA-N 1 0 323.437 2.011 50 0 DEAARO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CO)c1ccccc1 ZINC000095968087 402038327 /nfs/dbraw/zinc/03/83/27/402038327.db2.gz FQMRMDHIACMADC-SMDDNHRTSA-N 1 0 324.222 2.357 50 0 DEAARO CC(C)c1noc(-c2ccccc2C(=O)N2CC[C@H]([NH3+])C2)n1 ZINC000095971820 402038813 /nfs/dbraw/zinc/03/88/13/402038813.db2.gz CWVJETIQQMSSJQ-NSHDSACASA-N 1 0 300.362 2.033 50 0 DEAARO COc1ccc(CCCNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000052560256 402043889 /nfs/dbraw/zinc/04/38/89/402043889.db2.gz YNMHFMWIWSAKRA-OAHLLOKOSA-N 1 0 305.422 2.021 50 0 DEAARO CCc1ccccc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000095996473 402044827 /nfs/dbraw/zinc/04/48/27/402044827.db2.gz MLADCNDNXWUYRU-UHFFFAOYSA-N 1 0 305.422 2.169 50 0 DEAARO CC[NH+](CC)CCOCCN(CC(=O)OC)Cc1ccccc1 ZINC000096010191 402046760 /nfs/dbraw/zinc/04/67/60/402046760.db2.gz BSBFRBYRVCDKJW-UHFFFAOYSA-N 1 0 322.449 2.020 50 0 DEAARO C[NH+](C)CCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000052931463 402049290 /nfs/dbraw/zinc/04/92/90/402049290.db2.gz DJFSJALJALYGDQ-UHFFFAOYSA-N 1 0 310.825 2.066 50 0 DEAARO Cc1nn(C)cc1-c1ccnc(NCC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000048482852 402001480 /nfs/dbraw/zinc/00/14/80/402001480.db2.gz SKFNZGXDXMIUMZ-AWEZNQCLSA-N 1 0 314.437 2.472 50 0 DEAARO Cc1ccc(NC(=O)C(C)C)c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000055061030 402074696 /nfs/dbraw/zinc/07/46/96/402074696.db2.gz AKGIPCQDWHFIST-UHFFFAOYSA-N 1 0 317.433 2.367 50 0 DEAARO C[C@@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097370344 402122453 /nfs/dbraw/zinc/12/24/53/402122453.db2.gz YXHHMUOMEABXBE-UWVGGRQHSA-N 1 0 312.776 2.166 50 0 DEAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cnc2nccn2c1 ZINC000055037148 402074842 /nfs/dbraw/zinc/07/48/42/402074842.db2.gz KUCFFBAFUPOPHU-UHFFFAOYSA-N 1 0 315.446 2.355 50 0 DEAARO CCn1cnnc1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055167208 402077069 /nfs/dbraw/zinc/07/70/69/402077069.db2.gz 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/nfs/dbraw/zinc/09/31/08/402093108.db2.gz RSYOCOXKOMKKDU-UHFFFAOYSA-N 1 0 317.414 2.252 50 0 DEAARO CC[C@@H]([NH2+]Cc1ncc[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000096473265 402093141 /nfs/dbraw/zinc/09/31/41/402093141.db2.gz YUQIMVQGAZKWIV-IAGOWNOFSA-N 1 0 314.433 2.179 50 0 DEAARO O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000096476486 402093573 /nfs/dbraw/zinc/09/35/73/402093573.db2.gz ZNJTUAVONWZNLS-SWLSCSKDSA-N 1 0 311.472 2.041 50 0 DEAARO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1nnnn1-c1ccccc1 ZINC000096477792 402093684 /nfs/dbraw/zinc/09/36/84/402093684.db2.gz HZHHLXILIQLJTL-CYBMUJFWSA-N 1 0 305.385 2.480 50 0 DEAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCO1 ZINC000057419388 402094569 /nfs/dbraw/zinc/09/45/69/402094569.db2.gz CKVSHCRKPPCZMK-OAHLLOKOSA-N 1 0 323.412 2.078 50 0 DEAARO CCO[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCOCC2)C12CCCC2 ZINC000096493398 402096395 /nfs/dbraw/zinc/09/63/95/402096395.db2.gz BLZHLCFVNYYDPX-CVEARBPZSA-N 1 0 310.482 2.425 50 0 DEAARO C[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1-c1ccccc1 ZINC000058332827 402099455 /nfs/dbraw/zinc/09/94/55/402099455.db2.gz UUGWNFFCFPIIRT-UHFFFAOYSA-N 1 0 311.385 2.370 50 0 DEAARO CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccncc2)CCCC1 ZINC000097159691 402112576 /nfs/dbraw/zinc/11/25/76/402112576.db2.gz PDXZQGSBTGIUST-UHFFFAOYSA-N 1 0 313.449 2.446 50 0 DEAARO Cc1cc(N(C)Cc2ccsc2)nc(N2CCOCC2)[nH+]1 ZINC000065408409 402124757 /nfs/dbraw/zinc/12/47/57/402124757.db2.gz AKMYSJRAZBUUCY-UHFFFAOYSA-N 1 0 304.419 2.320 50 0 DEAARO C[N@H+](Cc1cnc(N2CCOCC2)s1)C1CCSCC1 ZINC000097547456 402126835 /nfs/dbraw/zinc/12/68/35/402126835.db2.gz UHJHPBWPOKQPHP-UHFFFAOYSA-N 1 0 313.492 2.307 50 0 DEAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(OC)cc1)C(=S)N2 ZINC000098212449 402139342 /nfs/dbraw/zinc/13/93/42/402139342.db2.gz WYTITUYWDRHXSV-UHFFFAOYSA-N 1 0 303.431 2.227 50 0 DEAARO CO[C@]1(C)C[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000076091564 286169341 /nfs/dbraw/zinc/16/93/41/286169341.db2.gz LUFHQUSRAHOQJD-WMLDXEAASA-N 1 0 309.454 2.116 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000123871452 402151816 /nfs/dbraw/zinc/15/18/16/402151816.db2.gz OXEWXCNLKYHIHX-JTQLQIEISA-N 1 0 320.817 2.099 50 0 DEAARO Cc1nc(CC[NH3+])cc(N(C)Cc2cccc3ncccc23)n1 ZINC000067920769 402178510 /nfs/dbraw/zinc/17/85/10/402178510.db2.gz WQHYSCQNSWCBND-UHFFFAOYSA-N 1 0 307.401 2.471 50 0 DEAARO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154284726 402203638 /nfs/dbraw/zinc/20/36/38/402203638.db2.gz NUJGWMIRUJUKJW-GMTAPVOTSA-N 1 0 314.788 2.455 50 0 DEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)CCc2cccc(Cl)c2)C1 ZINC000068493493 402200348 /nfs/dbraw/zinc/20/03/48/402200348.db2.gz PDULNCSHUULKBJ-HNNXBMFYSA-N 1 0 324.852 2.357 50 0 DEAARO Cc1cc(C)cc(C[NH+]2CCC(CNC(=O)C(C)(C)O)CC2)c1 ZINC000067539797 402162090 /nfs/dbraw/zinc/16/20/90/402162090.db2.gz UGNUXUUHNOHDNG-UHFFFAOYSA-N 1 0 318.461 2.403 50 0 DEAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000067649884 402165983 /nfs/dbraw/zinc/16/59/83/402165983.db2.gz ZCYFWNCDHXJDJV-ZDUSSCGKSA-N 1 0 321.396 2.002 50 0 DEAARO C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ncc[nH]3)cc2)C[C@H](C)O1 ZINC000067668526 402166388 /nfs/dbraw/zinc/16/63/88/402166388.db2.gz FAJXDMTWWXBCJV-GASCZTMLSA-N 1 0 314.433 2.309 50 0 DEAARO CC(C)NC(=O)NC[C@H]1CCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000067679103 402167364 /nfs/dbraw/zinc/16/73/64/402167364.db2.gz WMNZVTVYNNSOQR-MRXNPFEDSA-N 1 0 324.513 2.280 50 0 DEAARO Cc1nc(C(C)C)ncc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067713818 402169996 /nfs/dbraw/zinc/16/99/96/402169996.db2.gz OPBIPKJGXJQJIU-CQSZACIVSA-N 1 0 304.438 2.369 50 0 DEAARO CC1CC[NH+](C[C@@H](O)CNc2nnc(C(F)(F)F)s2)CC1 ZINC000154532211 402217146 /nfs/dbraw/zinc/21/71/46/402217146.db2.gz OTLUDDUCWOHXLV-VIFPVBQESA-N 1 0 324.372 2.062 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)CCc1ccc(Br)cc1 ZINC000125229412 402220271 /nfs/dbraw/zinc/22/02/71/402220271.db2.gz KYNHCGKERDLSBH-LLVKDONJSA-N 1 0 311.223 2.202 50 0 DEAARO CCc1nc(CCNC(=O)N[C@H]2CC[N@@H+](C(C)C)C2)sc1C ZINC000069369803 402220558 /nfs/dbraw/zinc/22/05/58/402220558.db2.gz CKILGXHJGDSKSF-ZDUSSCGKSA-N 1 0 324.494 2.338 50 0 DEAARO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1 ZINC000069417963 402222342 /nfs/dbraw/zinc/22/23/42/402222342.db2.gz VAKMMYAKEQGNNH-KRWDZBQOSA-N 1 0 312.417 2.422 50 0 DEAARO C[C@@H](CNC(=O)c1ccn(-c2ccccc2Cl)n1)[NH+](C)C ZINC000069415916 402222562 /nfs/dbraw/zinc/22/25/62/402222562.db2.gz MRHLADMDLCFPTE-NSHDSACASA-N 1 0 306.797 2.206 50 0 DEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000069431682 402223746 /nfs/dbraw/zinc/22/37/46/402223746.db2.gz XPORAAVKRUWUQU-GRDNDAEWSA-N 1 0 320.481 2.479 50 0 DEAARO CCc1noc(CCCC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000069512453 402228395 /nfs/dbraw/zinc/22/83/95/402228395.db2.gz PJLJLLKDXAYSKT-KBPBESRZSA-N 1 0 320.437 2.040 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]CCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000069571058 402231689 /nfs/dbraw/zinc/23/16/89/402231689.db2.gz CVTANKVYRINNGA-HZPDHXFCSA-N 1 0 314.433 2.437 50 0 DEAARO CN1CCO[C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000069581339 402232602 /nfs/dbraw/zinc/23/26/02/402232602.db2.gz SIUPBPSBFBPAAW-GFCCVEGCSA-N 1 0 304.312 2.005 50 0 DEAARO C[C@H](O)C[NH+]1CCN(Cc2csc(Br)c2)CC1 ZINC000069652522 402236356 /nfs/dbraw/zinc/23/63/56/402236356.db2.gz BEZSLHKYOAWZFR-JTQLQIEISA-N 1 0 319.268 2.009 50 0 DEAARO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](CCO)CC1 ZINC000069658932 402237129 /nfs/dbraw/zinc/23/71/29/402237129.db2.gz PDOZYCPQUJFKRH-LBPRGKRZSA-N 1 0 302.340 2.376 50 0 DEAARO Cc1cnn(C[C@@H](C)[NH2+]CCCn2c3ccccc3oc2=O)c1 ZINC000069664978 402238001 /nfs/dbraw/zinc/23/80/01/402238001.db2.gz FEWBIXMDKXPCPD-CQSZACIVSA-N 1 0 314.389 2.168 50 0 DEAARO Cc1cnc(C[N@@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000069737070 402241304 /nfs/dbraw/zinc/24/13/04/402241304.db2.gz ANHBJSDYIAYUEG-UHFFFAOYSA-N 1 0 322.416 2.374 50 0 DEAARO COC(=O)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000069739642 402241863 /nfs/dbraw/zinc/24/18/63/402241863.db2.gz PWJWRJCAGJYOMP-CYBMUJFWSA-N 1 0 317.389 2.175 50 0 DEAARO CCCOc1ccc(/C=C/C(=O)N2CC[NH2+][C@H](C)C2)cc1OC ZINC000155163689 402246938 /nfs/dbraw/zinc/24/69/38/402246938.db2.gz ZKNMUXLXOCLFID-IZPAUZPXSA-N 1 0 318.417 2.318 50 0 DEAARO Cc1ccc(N2CCC[C@@H]([N@H+](C)CC3(O)CCCCC3)C2)nn1 ZINC000069873507 402248390 /nfs/dbraw/zinc/24/83/90/402248390.db2.gz XZBQUTHHZRAEAF-MRXNPFEDSA-N 1 0 318.465 2.381 50 0 DEAARO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069918490 402251099 /nfs/dbraw/zinc/25/10/99/402251099.db2.gz HCXKBCOVUNQYBX-STQMWFEESA-N 1 0 322.453 2.033 50 0 DEAARO CCOCCN1CC[N@H+](CCc2ccc(OC)cc2)C[C@@H]1C ZINC000069926615 402251570 /nfs/dbraw/zinc/25/15/70/402251570.db2.gz PQJSHJXQORIPEY-INIZCTEOSA-N 1 0 306.450 2.280 50 0 DEAARO CC[C@@H](C)N(C)CC[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000108393824 402252297 /nfs/dbraw/zinc/25/22/97/402252297.db2.gz OZRNELDDQGXAPV-HUUCEWRRSA-N 1 0 312.479 2.169 50 0 DEAARO C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H](C)[NH2+]1 ZINC000070076420 402256853 /nfs/dbraw/zinc/25/68/53/402256853.db2.gz MYSLJPHMTCTLDJ-IUCAKERBSA-N 1 0 315.186 2.411 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173703 402258196 /nfs/dbraw/zinc/25/81/96/402258196.db2.gz VYRWZECCUWOBFJ-NEPJUHHUSA-N 1 0 316.854 2.396 50 0 DEAARO C[C@@H]1C[NH2+]CCN1C(=O)COc1ccc(Cl)c2cccnc12 ZINC000125014855 402208880 /nfs/dbraw/zinc/20/88/80/402208880.db2.gz OETGALAJIJBXAK-LLVKDONJSA-N 1 0 319.792 2.087 50 0 DEAARO Cc1cnc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000106135299 402212660 /nfs/dbraw/zinc/21/26/60/402212660.db2.gz DEKKXAGVKYBSNL-GDBMZVCRSA-N 1 0 310.401 2.350 50 0 DEAARO CCOCC(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000071314910 402272602 /nfs/dbraw/zinc/27/26/02/402272602.db2.gz DYLRMSMFFKLJOW-UHFFFAOYSA-N 1 0 306.450 2.136 50 0 DEAARO CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000071375498 402273711 /nfs/dbraw/zinc/27/37/11/402273711.db2.gz XVWSBZQOIDUUEK-HNNXBMFYSA-N 1 0 320.433 2.442 50 0 DEAARO CO[C@@H]1CC[N@H+](Cc2ccc(OCCn3ccnc3)cc2)C1 ZINC000214949981 402280139 /nfs/dbraw/zinc/28/01/39/402280139.db2.gz QDOSVOFIQHBDTD-QGZVFWFLSA-N 1 0 301.390 2.183 50 0 DEAARO Cc1ccc(-n2nnnc2N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000071819399 402281403 /nfs/dbraw/zinc/28/14/03/402281403.db2.gz SWJXDHOULGVUEY-UHFFFAOYSA-N 1 0 314.437 2.139 50 0 DEAARO COC[C@@H](c1ccccn1)N(C)Cc1ccc(N(C)C)nc1 ZINC000215673922 402283913 /nfs/dbraw/zinc/28/39/13/402283913.db2.gz VALDQPATVDDKIC-INIZCTEOSA-N 1 0 300.406 2.362 50 0 DEAARO C[N@H+](CCNC(=O)C[C@@H]1CCCC[NH+]1C)CCc1ccccc1 ZINC000216292590 402287944 /nfs/dbraw/zinc/28/79/44/402287944.db2.gz BEWCODXOBDKLNH-SFHVURJKSA-N 1 0 317.477 2.152 50 0 DEAARO C[NH+](C)C1(CNC(=O)[C@@H](O)c2cccc(F)c2)CCCCC1 ZINC000216521485 402289245 /nfs/dbraw/zinc/28/92/45/402289245.db2.gz SHCCXNNRJAIDPJ-HNNXBMFYSA-N 1 0 308.397 2.240 50 0 DEAARO O[C@H]1CCC[N@H+](Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000216536449 402289456 /nfs/dbraw/zinc/28/94/56/402289456.db2.gz IKHJENOFPBDMNY-KRWDZBQOSA-N 1 0 312.417 2.436 50 0 DEAARO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000223783126 402312495 /nfs/dbraw/zinc/31/24/95/402312495.db2.gz JEPVAFPKTHLQDB-CYBMUJFWSA-N 1 0 300.324 2.458 50 0 DEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)O)CC2)cc1 ZINC000225432311 402317254 /nfs/dbraw/zinc/31/72/54/402317254.db2.gz FYSSNCDEJCZFCE-UHFFFAOYSA-N 1 0 304.434 2.094 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000225436569 402317651 /nfs/dbraw/zinc/31/76/51/402317651.db2.gz SSXGPZMHHWNQTO-BHYGNILZSA-N 1 0 318.417 2.102 50 0 DEAARO O[C@]1(C[NH2+]Cc2sccc2Br)CCSC1 ZINC000185040376 402318832 /nfs/dbraw/zinc/31/88/32/402318832.db2.gz UPHGVXYQWVWWCO-JTQLQIEISA-N 1 0 308.266 2.468 50 0 DEAARO CCn1cc(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cn1 ZINC000225490858 402319260 /nfs/dbraw/zinc/31/92/60/402319260.db2.gz NMGWKEJFRIWBPC-DLBZAZTESA-N 1 0 303.381 2.393 50 0 DEAARO Cc1csc(N2CCN(Cc3cnc(C)cn3)C[C@@H]2C)n1 ZINC000229370746 402342492 /nfs/dbraw/zinc/34/24/92/402342492.db2.gz WYNSFIXVCRCWIG-ZDUSSCGKSA-N 1 0 303.435 2.261 50 0 DEAARO C[C@@H](CNC(=O)[C@H](C)OCC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000229381231 402342871 /nfs/dbraw/zinc/34/28/71/402342871.db2.gz RPTCGQBLBLPHCB-WOPDTQHZSA-N 1 0 310.360 2.190 50 0 DEAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)nc1 ZINC000229398142 402343373 /nfs/dbraw/zinc/34/33/73/402343373.db2.gz WYWTWOQUNMEPKA-NEPJUHHUSA-N 1 0 313.323 2.457 50 0 DEAARO C[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2cccnc2)C[C@@H](C)O1 ZINC000229630376 402344177 /nfs/dbraw/zinc/34/41/77/402344177.db2.gz IVVXRIWYKCVZGV-BFYDXBDKSA-N 1 0 317.433 2.072 50 0 DEAARO C[C@H](C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 ZINC000230310515 402350144 /nfs/dbraw/zinc/35/01/44/402350144.db2.gz DZQCEGIOOTZOLN-RISCZKNCSA-N 1 0 316.854 2.067 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1F ZINC000227030175 402330695 /nfs/dbraw/zinc/33/06/95/402330695.db2.gz GLRPRRNCOSNCKW-FZMZJTMJSA-N 1 0 300.399 2.025 50 0 DEAARO COc1ccccc1CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237153251 402396748 /nfs/dbraw/zinc/39/67/48/402396748.db2.gz RGKONVBOBOEKHS-KRWDZBQOSA-N 1 0 310.397 2.068 50 0 DEAARO [NH3+][C@H]1C[C@@H](c2cc(N[C@H]3CC[C@H](O)CC3)nc(C3CC3)n2)C1 ZINC000244748835 402449747 /nfs/dbraw/zinc/44/97/47/402449747.db2.gz OPGITQCHKZOSHM-YXSUXZIUSA-N 1 0 302.422 2.274 50 0 DEAARO C[C@@H](C[N@H+](C)Cc1cc(-c2cccs2)n[nH]1)n1cncn1 ZINC000244893018 402451049 /nfs/dbraw/zinc/45/10/49/402451049.db2.gz YTWFHPXMPQGVKD-NSHDSACASA-N 1 0 302.407 2.423 50 0 DEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000237953589 402428012 /nfs/dbraw/zinc/42/80/12/402428012.db2.gz SFOMPQMTKMIVHO-GXTWGEPZSA-N 1 0 306.381 2.323 50 0 DEAARO CCO[C@@H]1C[C@H]([NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)[C@H]1SC ZINC000241897395 402444081 /nfs/dbraw/zinc/44/40/81/402444081.db2.gz TYJDPNMHYUJJGN-YTBGYOSVSA-N 1 0 317.495 2.051 50 0 DEAARO CCc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(C)n1 ZINC000242273688 402444506 /nfs/dbraw/zinc/44/45/06/402444506.db2.gz YFALEBQFUHIWNJ-AWEZNQCLSA-N 1 0 304.438 2.260 50 0 DEAARO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1C ZINC000242155982 402444613 /nfs/dbraw/zinc/44/46/13/402444613.db2.gz WUWIMNVRUVOQJR-NTZNESFSSA-N 1 0 312.360 2.189 50 0 DEAARO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)cnn1-c1cccc(Cl)c1 ZINC000178550547 402510488 /nfs/dbraw/zinc/51/04/88/402510488.db2.gz LKYABSBIXFTITC-GFCCVEGCSA-N 1 0 318.808 2.255 50 0 DEAARO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCCCC1 ZINC000170591720 402505746 /nfs/dbraw/zinc/50/57/46/402505746.db2.gz IISDMLZZPOILSK-JKSUJKDBSA-N 1 0 318.527 2.300 50 0 DEAARO C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000247447859 402567525 /nfs/dbraw/zinc/56/75/25/402567525.db2.gz YOZBFFJZLMWAPD-CABCVRRESA-N 1 0 301.434 2.025 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000248090481 402582009 /nfs/dbraw/zinc/58/20/09/402582009.db2.gz CCUKMEVPSDBNQW-LSDHHAIUSA-N 1 0 316.380 2.401 50 0 DEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248104749 402582908 /nfs/dbraw/zinc/58/29/08/402582908.db2.gz OWLUTVMUOPKPOL-ZBFHGGJFSA-N 1 0 321.417 2.477 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccncc1 ZINC000249692769 402638689 /nfs/dbraw/zinc/63/86/89/402638689.db2.gz MZPZXIBUFFKCDQ-IAGOWNOFSA-N 1 0 301.434 2.490 50 0 DEAARO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000252477989 402653931 /nfs/dbraw/zinc/65/39/31/402653931.db2.gz ZFQAZKBLANEMSP-BFYDXBDKSA-N 1 0 304.434 2.406 50 0 DEAARO Cc1ncsc1CC[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000252481326 402654590 /nfs/dbraw/zinc/65/45/90/402654590.db2.gz CJASWLKYPSRTTD-UHFFFAOYSA-N 1 0 320.443 2.195 50 0 DEAARO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000252492267 402656099 /nfs/dbraw/zinc/65/60/99/402656099.db2.gz MHCDYIUQXDVAKE-CVEARBPZSA-N 1 0 317.437 2.467 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000253427594 402665723 /nfs/dbraw/zinc/66/57/23/402665723.db2.gz CUTCLKBSVPAFHR-KSSFIOAISA-N 1 0 321.465 2.315 50 0 DEAARO CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000253427593 402665785 /nfs/dbraw/zinc/66/57/85/402665785.db2.gz CUTCLKBSVPAFHR-KDOFPFPSSA-N 1 0 321.465 2.315 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCc1cnccn1 ZINC000253430386 402666462 /nfs/dbraw/zinc/66/64/62/402666462.db2.gz ZPTYLMUJZVKVIJ-YJBOKZPZSA-N 1 0 324.428 2.046 50 0 DEAARO CN(C(=O)/C=C\c1ccccc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000255194688 402681564 /nfs/dbraw/zinc/68/15/64/402681564.db2.gz LEVRWQFSWBYJDU-ZHRWSRJISA-N 1 0 314.307 2.419 50 0 DEAARO c1c(COc2ccc3c(c2)CCC3)nnn1C[C@@H]1CCC[NH2+]C1 ZINC000257179455 402700487 /nfs/dbraw/zinc/70/04/87/402700487.db2.gz CQUKYHJBEYGINN-CQSZACIVSA-N 1 0 312.417 2.345 50 0 DEAARO O=C1CC[NH2+]CCC[C@H](c2nc(-c3ccccc3)no2)CCN1 ZINC000257181879 402700737 /nfs/dbraw/zinc/70/07/37/402700737.db2.gz OBNLRTPRAQENLE-AWEZNQCLSA-N 1 0 314.389 2.100 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000195542934 402850879 /nfs/dbraw/zinc/85/08/79/402850879.db2.gz LNJUSYOWPAMVHY-HTQZYQBOSA-N 1 0 304.287 2.442 50 0 DEAARO C[C@@H]1C[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000271495966 402876395 /nfs/dbraw/zinc/87/63/95/402876395.db2.gz HBXVSKAUHCRDHU-HLLBOEOZSA-N 1 0 319.449 2.404 50 0 DEAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000269266266 403125972 /nfs/dbraw/zinc/12/59/72/403125972.db2.gz UKYBDUHMICNEEU-LSDHHAIUSA-N 1 0 322.836 2.252 50 0 DEAARO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cccc(OC)n1)C2 ZINC000276588551 403189258 /nfs/dbraw/zinc/18/92/58/403189258.db2.gz CYFXFNHCBNTUFM-CQSZACIVSA-N 1 0 300.358 2.192 50 0 DEAARO COCc1nc(C)cc(N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC000286239690 403479759 /nfs/dbraw/zinc/47/97/59/403479759.db2.gz FFMVHEMASRSVKN-UHFFFAOYSA-N 1 0 312.417 2.252 50 0 DEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC=C(C)CC2)c1 ZINC000299794078 403577520 /nfs/dbraw/zinc/57/75/20/403577520.db2.gz JBTDWEVQLZWTJL-UHFFFAOYSA-N 1 0 304.390 2.215 50 0 DEAARO Cc1cc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)ccn1 ZINC000333241472 403704523 /nfs/dbraw/zinc/70/45/23/403704523.db2.gz ZZDLXGVEGRTDQI-UHFFFAOYSA-N 1 0 314.433 2.087 50 0 DEAARO Cn1c(CC[NH3+])nnc1SCc1ccc(OC(F)F)cc1 ZINC000426443282 405359958 /nfs/dbraw/zinc/35/99/58/405359958.db2.gz MOVMCAKPUUAMOH-UHFFFAOYSA-N 1 0 314.361 2.210 50 0 DEAARO C[NH+]1CCC(O)(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426635761 405371939 /nfs/dbraw/zinc/37/19/39/405371939.db2.gz ZBHVICODERUNGJ-INIZCTEOSA-N 1 0 316.445 2.095 50 0 DEAARO [NH3+]CC[C@@H]1CN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CCO1 ZINC000426632824 405371990 /nfs/dbraw/zinc/37/19/90/405371990.db2.gz BYEZHISIXCKTSL-CQSZACIVSA-N 1 0 321.808 2.143 50 0 DEAARO Cc1nc(CSc2nnc(C[NH3+])n2Cc2ccccc2)co1 ZINC000426720028 405375550 /nfs/dbraw/zinc/37/55/50/405375550.db2.gz VCRLZOGIKGFMOQ-UHFFFAOYSA-N 1 0 315.402 2.374 50 0 DEAARO CCCCOc1ncccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000585120946 405871529 /nfs/dbraw/zinc/87/15/29/405871529.db2.gz ZCKKFJUNYXIDSQ-AWEZNQCLSA-N 1 0 305.422 2.219 50 0 DEAARO CCCCOc1ncccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000585121113 405872826 /nfs/dbraw/zinc/87/28/26/405872826.db2.gz GJCVTTUKQDFWCL-UHFFFAOYSA-N 1 0 305.422 2.219 50 0 DEAARO COCc1ncc(C)n1CCNC(=O)Nc1ccccc1F ZINC000575555527 406812635 /nfs/dbraw/zinc/81/26/35/406812635.db2.gz OLTDYJYHELXIKC-UHFFFAOYSA-N 1 0 306.341 2.299 50 0 DEAARO O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000187503238 304455494 /nfs/dbraw/zinc/45/54/94/304455494.db2.gz VNQBUADVAXNQRN-ZWKOTPCHSA-N 1 0 310.397 2.492 50 0 DEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2C)C1 ZINC000133051927 196307254 /nfs/dbraw/zinc/30/72/54/196307254.db2.gz WGAQKDADAQJSNI-OAHLLOKOSA-N 1 0 312.417 2.313 50 0 DEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1[nH]nc(N)c1Cl ZINC000534673856 421694549 /nfs/dbraw/zinc/69/45/49/421694549.db2.gz FLYHMZIORPTKRZ-UHFFFAOYSA-N 1 0 313.833 2.030 50 0 DEAARO COc1cc(OC)nc(NC[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534646571 421694574 /nfs/dbraw/zinc/69/45/74/421694574.db2.gz IOGOHGWBZUYBJT-LBPRGKRZSA-N 1 0 306.410 2.170 50 0 DEAARO CCOc1cc2c(cc1C[NH2+]CCNC(=O)C(C)C)O[C@H](C)C2 ZINC000048355318 424832573 /nfs/dbraw/zinc/83/25/73/424832573.db2.gz RXZSKKQWEAKARS-CYBMUJFWSA-N 1 0 320.433 2.271 50 0 DEAARO Nc1nc(CN2CC[NH+](C3CCCC3)CC2)nc2ccccc12 ZINC000045768459 424818012 /nfs/dbraw/zinc/81/80/12/424818012.db2.gz BQFKYQBJDOJSGX-UHFFFAOYSA-N 1 0 311.433 2.272 50 0 DEAARO CC(C)CC[C@H](C)[NH+]1CCC(Cn2cc(CCO)nn2)CC1 ZINC000048428360 424833984 /nfs/dbraw/zinc/83/39/84/424833984.db2.gz OCCFIUBMCKYNMF-HNNXBMFYSA-N 1 0 308.470 2.350 50 0 DEAARO COc1ccc(OC)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000048715487 424834615 /nfs/dbraw/zinc/83/46/15/424834615.db2.gz LDGKKPPIYUJAJK-UHFFFAOYSA-N 1 0 307.390 2.479 50 0 DEAARO CCc1nc2n(n1)C[C@H]([NH2+]C/C=C\c1ccccc1OC)CC2 ZINC000104061236 424848923 /nfs/dbraw/zinc/84/89/23/424848923.db2.gz FBNOCAQSFRWGGG-DDJMYBDESA-N 1 0 312.417 2.467 50 0 DEAARO CC1(C)C[N@@H+](C2(CNc3cnccn3)CCCCC2)CCO1 ZINC000329338865 424904972 /nfs/dbraw/zinc/90/49/72/424904972.db2.gz YWUIJSIVRQUVHT-UHFFFAOYSA-N 1 0 304.438 2.702 50 0 DEAARO O[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)COc1ccc(F)c(F)c1 ZINC000657871814 425412987 /nfs/dbraw/zinc/41/29/87/425412987.db2.gz CIRKHPQLLZGXNB-RYUDHWBXSA-N 1 0 313.344 2.006 50 0 DEAARO C[NH+](C)C1(CNC(=O)C[C@H]2CCc3ccccc32)CCOCC1 ZINC000092081378 273790838 /nfs/dbraw/zinc/79/08/38/273790838.db2.gz URSLZQOOHFGICJ-MRXNPFEDSA-N 1 0 316.445 2.334 50 0 DEAARO Cn1nccc1C1CC[NH+]([C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000225717944 274903768 /nfs/dbraw/zinc/90/37/68/274903768.db2.gz PVYKPQCFLPUHBT-WMZOPIPTSA-N 1 0 313.401 2.094 50 0 DEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000083851168 276764273 /nfs/dbraw/zinc/76/42/73/276764273.db2.gz MGCBZTYZVHFPBH-UONOGXRCSA-N 1 0 305.426 2.241 50 0 DEAARO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CCOCC1 ZINC000073132570 276768908 /nfs/dbraw/zinc/76/89/08/276768908.db2.gz RDFLOSJXBNMUDU-JKSUJKDBSA-N 1 0 302.418 2.017 50 0 DEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1F ZINC000122580662 277277945 /nfs/dbraw/zinc/27/79/45/277277945.db2.gz UHACELJQCQUANQ-JTQLQIEISA-N 1 0 315.186 2.412 50 0 DEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Br)cc1F ZINC000122580974 277285011 /nfs/dbraw/zinc/28/50/11/277285011.db2.gz UHACELJQCQUANQ-SNVBAGLBSA-N 1 0 315.186 2.412 50 0 DEAARO COc1c(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c(C)nn1C ZINC000095991165 277787739 /nfs/dbraw/zinc/78/77/39/277787739.db2.gz IONFSYZUBFHQPX-KDJCLPLCSA-N 1 0 323.437 2.149 50 0 DEAARO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000297303539 278098200 /nfs/dbraw/zinc/09/82/00/278098200.db2.gz FIZJDEUOGDLDLT-PXMRGAAZSA-N 1 0 300.402 2.065 50 0 DEAARO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000026781659 278201233 /nfs/dbraw/zinc/20/12/33/278201233.db2.gz VRBMFTHOXXVRCP-JKIFEVAISA-N 1 0 320.433 2.363 50 0 DEAARO C[C@@H](CN1CCOCC1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000091531517 278263371 /nfs/dbraw/zinc/26/33/71/278263371.db2.gz XZEWJTNOOYIEMK-QFBILLFUSA-N 1 0 318.461 2.153 50 0 DEAARO CC1(C)C[C@H]([NH2+]Cc2cccnc2N2CCOCC2)C(C)(C)O1 ZINC000096476568 278389114 /nfs/dbraw/zinc/38/91/14/278389114.db2.gz WNVJWXRLWMJNGV-HNNXBMFYSA-N 1 0 319.449 2.354 50 0 DEAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)no1 ZINC000097112655 280601955 /nfs/dbraw/zinc/60/19/55/280601955.db2.gz IHWDAQDQJIKVRX-AAEUAGOBSA-N 1 0 301.346 2.076 50 0 DEAARO C[NH+](C)C1(CNC(=O)C/C=C\c2ccc(F)cc2)CCOCC1 ZINC000096035360 289044036 /nfs/dbraw/zinc/04/40/36/289044036.db2.gz JADOPDNPKAZHLC-ARJAWSKDSA-N 1 0 320.408 2.456 50 0 DEAARO C[NH+](C)CC(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012591409 289077476 /nfs/dbraw/zinc/07/74/76/289077476.db2.gz QTIHKEKALCAHGY-ZDUSSCGKSA-N 1 0 318.465 2.465 50 0 DEAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000237840237 295273449 /nfs/dbraw/zinc/27/34/49/295273449.db2.gz VIQHKDQTFZLJHY-UKRRQHHQSA-N 1 0 305.397 2.283 50 0 DEAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000191356505 295302035 /nfs/dbraw/zinc/30/20/35/295302035.db2.gz YQHHRNBBGYJCTB-SJORKVTESA-N 1 0 319.424 2.130 50 0 DEAARO [NH3+][C@H]1CN(C(=O)c2cnc(Nc3ccccc3)nc2)C[C@@H]1C1CC1 ZINC000091254939 332102244 /nfs/dbraw/zinc/10/22/44/332102244.db2.gz OWMBIQCHFWIYBJ-CVEARBPZSA-N 1 0 323.400 2.030 50 0 DEAARO Cc1cccc([C@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C)c1 ZINC000095376053 332169480 /nfs/dbraw/zinc/16/94/80/332169480.db2.gz UZGVZFBJTFFTCH-MRXNPFEDSA-N 1 0 305.466 2.302 50 0 DEAARO CCOc1ccccc1NC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000534576800 334287897 /nfs/dbraw/zinc/28/78/97/334287897.db2.gz LFVNJCOWNIOCLB-UHFFFAOYSA-N 1 0 319.405 2.072 50 0 DEAARO O=C(NCC1(Cn2cccn2)CC1)C1([NH+]2CCCC2)CCCC1 ZINC000534650539 334311562 /nfs/dbraw/zinc/31/15/62/334311562.db2.gz IBCGUXFWYCDEAY-UHFFFAOYSA-N 1 0 316.449 2.188 50 0 DEAARO C[C@H](c1ccncn1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534658247 334314554 /nfs/dbraw/zinc/31/45/54/334314554.db2.gz QNBNKOLUQRLIAO-CYBMUJFWSA-N 1 0 305.426 2.053 50 0 DEAARO Cc1cc(C)c(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)c1 ZINC000534670080 334319995 /nfs/dbraw/zinc/31/99/95/334319995.db2.gz WPCUKBAMTBEINS-IYBDPMFKSA-N 1 0 301.434 2.315 50 0 DEAARO Cc1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000095359299 518189157 /nfs/dbraw/zinc/18/91/57/518189157.db2.gz YRAHHUSDCUIGJV-SFHVURJKSA-N 1 0 308.429 2.465 50 0 DEAARO Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1C ZINC000091255657 525558523 /nfs/dbraw/zinc/55/85/23/525558523.db2.gz DAZZEGQVEIMSII-LSDHHAIUSA-N 1 0 308.447 2.018 50 0 DEAARO CCCCn1nc(C)c(/C=C\C(=O)N2CC[C@H]([NH3+])C2)c1Cl ZINC000493187660 535155598 /nfs/dbraw/zinc/15/55/98/535155598.db2.gz MWJCVPHHQCKISS-FJOGCWAESA-N 1 0 310.829 2.218 50 0 DEAARO Cc1cccc(Cl)c1OCCOCCN1CC[NH+](C)CC1 ZINC000022171375 623609204 /nfs/dbraw/zinc/60/92/04/623609204.db2.gz HKPWFDJAUMGYKM-UHFFFAOYSA-N 1 0 312.841 2.291 50 0 DEAARO COCCN1CC[N@@H+]([C@H](C)Cc2ccc(C)cc2)CCC1=O ZINC000011813272 635783937 /nfs/dbraw/zinc/78/39/37/635783937.db2.gz RQHZQXSVABINJY-MRXNPFEDSA-N 1 0 304.434 2.107 50 0 DEAARO Cc1cc(CN2CCC[C@H](CNC(=O)c3cccs3)C2)[nH]n1 ZINC000012445312 636636383 /nfs/dbraw/zinc/63/63/83/636636383.db2.gz HCDBKBWXMYGWBY-CYBMUJFWSA-N 1 0 318.446 2.422 50 0 DEAARO COC[C@H](C)C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000187602961 639629700 /nfs/dbraw/zinc/62/97/00/639629700.db2.gz PHNRHRCODQZRIN-CQSZACIVSA-N 1 0 321.417 2.336 50 0 DEAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc2c1OCO2 ZINC000173270923 646763445 /nfs/dbraw/zinc/76/34/45/646763445.db2.gz AOWJGGXSEWTXBA-CQSZACIVSA-N 1 0 316.401 2.410 50 0 DEAARO COc1nccc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1C#N ZINC000072477904 683928203 /nfs/dbraw/zinc/92/82/03/683928203.db2.gz SGNKRGHGVLEBKE-OAHLLOKOSA-N 1 0 323.400 2.433 50 0 DEAARO COCCCN(C(=O)c1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000072420409 683928618 /nfs/dbraw/zinc/92/86/18/683928618.db2.gz IUKWKDSDTFESAC-UHFFFAOYSA-N 1 0 315.417 2.131 50 0 DEAARO CN1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000863982422 686602308 /nfs/dbraw/zinc/60/23/08/686602308.db2.gz JLIYPJIXKXMEQJ-UHFFFAOYSA-N 1 0 303.450 2.266 50 0 DEAARO O=C(c1ccccn1)N1CC[C@@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000581798549 777831157 /nfs/dbraw/zinc/83/11/57/777831157.db2.gz QHROCCNAOBAELF-SJLPKXTDSA-N 1 0 307.397 2.428 50 0 DEAARO Cc1nccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000827861441 783700197 /nfs/dbraw/zinc/70/01/97/783700197.db2.gz JIYGNRRYVKHEMZ-CQSZACIVSA-N 1 0 318.446 2.034 50 0 DEAARO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC(Oc3ccccc3)C2)C1 ZINC000827897852 783705731 /nfs/dbraw/zinc/70/57/31/783705731.db2.gz MMJRESFHMOHESS-AWEZNQCLSA-N 1 0 317.433 2.332 50 0 DEAARO C[NH+](C)CC1(O)CCC2(CCN(C(=O)c3ccco3)CC2)CC1 ZINC000581791328 784782219 /nfs/dbraw/zinc/78/22/19/784782219.db2.gz YZOAXVIGZBHZOT-UHFFFAOYSA-N 1 0 320.433 2.369 50 0 DEAARO CCOc1ccc(OCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000952860977 792781882 /nfs/dbraw/zinc/78/18/82/792781882.db2.gz VPUYGFDADYRANY-UHFFFAOYSA-N 1 0 302.378 2.249 50 0 DEAARO Oc1cccc(CN2CCC[C@H]([NH2+]CCCn3cccn3)C2)c1 ZINC000952866659 792800238 /nfs/dbraw/zinc/80/02/38/792800238.db2.gz DFPGZTSCOJINJP-KRWDZBQOSA-N 1 0 314.433 2.233 50 0 DEAARO Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)CC2CC[NH2+]CC2)c1C ZINC000952970791 792825668 /nfs/dbraw/zinc/82/56/68/792825668.db2.gz FLUWHWWKXXBODQ-UHFFFAOYSA-N 1 0 302.378 2.214 50 0 DEAARO CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C ZINC000952972811 792831993 /nfs/dbraw/zinc/83/19/93/792831993.db2.gz HPSDTUUJGYVTFU-ZDUSSCGKSA-N 1 0 305.422 2.412 50 0 DEAARO CN(CC[N@H+](C)C1CC1)C(=O)C1(Cc2ccc(O)cc2)CC1 ZINC000952994734 792855850 /nfs/dbraw/zinc/85/58/50/792855850.db2.gz JSFDPCOKLMVYOC-UHFFFAOYSA-N 1 0 302.418 2.268 50 0 DEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)/C=C/c2cc(CO)cs2)C1 ZINC000952981920 792858614 /nfs/dbraw/zinc/85/86/14/792858614.db2.gz WWBPZJYFQAAVCV-GFUIURDCSA-N 1 0 320.458 2.339 50 0 DEAARO Cc1nn(C)cc1C(=O)NC[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000952984382 792864062 /nfs/dbraw/zinc/86/40/62/792864062.db2.gz UIEPPQGBRSFLTE-OAHLLOKOSA-N 1 0 324.444 2.310 50 0 DEAARO Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000952988988 792870072 /nfs/dbraw/zinc/87/00/72/792870072.db2.gz YZZNRGBZKZTWHC-NSHDSACASA-N 1 0 315.402 2.408 50 0 DEAARO Cc1nnc(NCC[N@@H+]2CCCC[C@@H]2CO)c2ccccc12 ZINC001529090300 1070847205 /nfs/dbraw/zinc/84/72/05/1070847205.db2.gz GAUYNGUYSIIEIV-CQSZACIVSA-N 1 0 300.406 2.197 50 0 DEAARO CN(C)C(=O)c1cccc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC001529114242 1070865252 /nfs/dbraw/zinc/86/52/52/1070865252.db2.gz NMTNZGYXKWMNPU-GOEBONIOSA-N 1 0 316.449 2.460 50 0 DEAARO Cc1cc(C(=O)Nc2ccnn2C2CC[NH+](C)CC2)cc(C)n1 ZINC001529139829 1070876737 /nfs/dbraw/zinc/87/67/37/1070876737.db2.gz VOCUNESNGXVOBX-UHFFFAOYSA-N 1 0 313.405 2.414 50 0 DEAARO CSCC[C@@H](CO)Nc1cc(C)[nH+]c(N2CCCCC2)n1 ZINC001529197934 1070912956 /nfs/dbraw/zinc/91/29/56/1070912956.db2.gz ZIGNUVVJBXTTFZ-ZDUSSCGKSA-N 1 0 310.467 2.301 50 0 DEAARO C=Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)nc1 ZINC001506399564 1061938220 /nfs/dbraw/zinc/93/82/20/1061938220.db2.gz HQWXVVCMXICNHH-MRXNPFEDSA-N 1 0 301.434 2.398 50 0 DEAARO COCCn1cncc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001506404734 1061947662 /nfs/dbraw/zinc/94/76/62/1061947662.db2.gz FLIDDNKOHBMJDK-UHFFFAOYSA-N 1 0 314.433 2.242 50 0 DEAARO Cc1ccc(OCCN2CCC[C@@](CO)(C[NH+](C)C)C2)c(C)c1 ZINC001506415704 1061961397 /nfs/dbraw/zinc/96/13/97/1061961397.db2.gz BTQRSCLFNPVLMX-LJQANCHMSA-N 1 0 320.477 2.318 50 0 DEAARO Cc1nncn1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC001506420047 1061963495 /nfs/dbraw/zinc/96/34/95/1061963495.db2.gz RUERGJXXPTZAMN-KRWDZBQOSA-N 1 0 300.406 2.268 50 0 DEAARO O=C(CCCn1cncn1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000054774431 1084200797 /nfs/dbraw/zinc/20/07/97/1084200797.db2.gz YEUCEGHVRKRCBC-UHFFFAOYSA-N 1 0 313.405 2.293 50 0 DEAARO CC(C)(C)OC(=O)N1CCC(O)([C@@H]([NH3+])c2ccccc2)CC1 ZINC000958528867 1089047049 /nfs/dbraw/zinc/04/70/49/1089047049.db2.gz XFMATFMKAAPDNL-AWEZNQCLSA-N 1 0 306.406 2.448 50 0 DEAARO CSc1ncccc1-c1nc(CC2CC[NH+](C)CC2)nn1C ZINC000095500154 185374760 /nfs/dbraw/zinc/37/47/60/185374760.db2.gz ISDHPKBJFLYUMG-UHFFFAOYSA-N 1 0 317.462 2.483 50 0 DEAARO Cc1ccc(OCC[NH3+])c(C(=O)N2CCC3(CCCO3)CC2)c1 ZINC000426405109 230794150 /nfs/dbraw/zinc/79/41/50/230794150.db2.gz HYRYJHXCPQKCGF-UHFFFAOYSA-N 1 0 318.417 2.118 50 0 DEAARO O=C(CC[N@H+]1CCC[C@H]1CO)Nc1cccc(C(F)(F)F)c1 ZINC000083170856 185215788 /nfs/dbraw/zinc/21/57/88/185215788.db2.gz KGLZZIJALGVAEQ-ZDUSSCGKSA-N 1 0 316.323 2.491 50 0 DEAARO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000090116002 185283120 /nfs/dbraw/zinc/28/31/20/185283120.db2.gz CYYVANVBRAVMKN-QWHCGFSZSA-N 1 0 324.494 2.425 50 0 DEAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sc(CC)nc2C)C1 ZINC000090409919 185294676 /nfs/dbraw/zinc/29/46/76/185294676.db2.gz GQYDGXYFEXMGRJ-JQWIXIFHSA-N 1 0 310.467 2.468 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000082127669 192358969 /nfs/dbraw/zinc/35/89/69/192358969.db2.gz JMFZSAPSOPEPPH-CQSZACIVSA-N 1 0 301.434 2.451 50 0 DEAARO CSCC(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082137600 192361122 /nfs/dbraw/zinc/36/11/22/192361122.db2.gz QJCCFJYYMZEJBT-UHFFFAOYSA-N 1 0 322.478 2.011 50 0 DEAARO CCN(CC)C(=O)Cn1nc(C(F)(F)F)c2cnccc21 ZINC000092919062 185349051 /nfs/dbraw/zinc/34/90/51/185349051.db2.gz PNXNYOBVVRHXFR-UHFFFAOYSA-N 1 0 300.284 2.319 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2nccn2C)C(C)C)CC1 ZINC000095389105 185351142 /nfs/dbraw/zinc/35/11/42/185351142.db2.gz IXZVBMHKZCDKPQ-MRXNPFEDSA-N 1 0 306.454 2.355 50 0 DEAARO CC[NH+]1CCC(CC(=O)N[C@H](c2nccn2C)C(C)C)CC1 ZINC000095389106 185351144 /nfs/dbraw/zinc/35/11/44/185351144.db2.gz IXZVBMHKZCDKPQ-INIZCTEOSA-N 1 0 306.454 2.355 50 0 DEAARO CN(Cc1noc(C2CC2)n1)[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000095402651 185354850 /nfs/dbraw/zinc/35/48/50/185354850.db2.gz GOMKGNCRBBUDAV-OAHLLOKOSA-N 1 0 313.405 2.048 50 0 DEAARO CCOC(=O)N(C)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000095413156 185357957 /nfs/dbraw/zinc/35/79/57/185357957.db2.gz MUMXRWVWUBJFLG-UHFFFAOYSA-N 1 0 316.405 2.387 50 0 DEAARO COc1ccc2oc(C[NH2+][C@@H](C)CN3CCOC3=O)cc2c1 ZINC000095448674 185368501 /nfs/dbraw/zinc/36/85/01/185368501.db2.gz YZTHLDAFXXIHOS-NSHDSACASA-N 1 0 304.346 2.372 50 0 DEAARO CCNC(=O)N1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000095462796 185371364 /nfs/dbraw/zinc/37/13/64/185371364.db2.gz PMHBJECIUBPCRQ-UHFFFAOYSA-N 1 0 305.422 2.287 50 0 DEAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@H]([NH3+])C1 ZINC000097019998 185398259 /nfs/dbraw/zinc/39/82/59/185398259.db2.gz XRLOQGVVIOAVMI-LBPRGKRZSA-N 1 0 313.405 2.063 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000408521830 529949174 /nfs/dbraw/zinc/94/91/74/529949174.db2.gz MKBAHSUKDQJTFQ-BVBGJJFLSA-N 1 0 300.402 2.187 50 0 DEAARO Cc1csc(=O)n1CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000170019855 197764332 /nfs/dbraw/zinc/76/43/32/197764332.db2.gz KOXKQEURRPZXAK-MLGOLLRUSA-N 1 0 312.479 2.385 50 0 DEAARO C[NH2+]C[C@@H](C)CNC(=O)Cc1ccc(F)c(Br)c1 ZINC000170048331 197766182 /nfs/dbraw/zinc/76/61/82/197766182.db2.gz IYFVUTQBORVBEO-SECBINFHSA-N 1 0 317.202 2.102 50 0 DEAARO Cc1ccc(CN(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)s1 ZINC000084205442 539393208 /nfs/dbraw/zinc/39/32/08/539393208.db2.gz MJKHWFMBBUWWFY-UHFFFAOYSA-N 1 0 321.450 2.479 50 0 DEAARO Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCn4ccnc43)C2=O)cc1 ZINC000084150601 539393280 /nfs/dbraw/zinc/39/32/80/539393280.db2.gz CPSATAICTFQLPE-DOTOQJQBSA-N 1 0 324.428 2.464 50 0 DEAARO COC1CC[NH+](CCNc2cncc(OCC(C)C)n2)CC1 ZINC000084544469 539396318 /nfs/dbraw/zinc/39/63/18/539396318.db2.gz HMJAEELELRZEBC-UHFFFAOYSA-N 1 0 308.426 2.034 50 0 DEAARO c1nc2n(n1)C[C@@H]([NH2+]CCOc1cccc3ccccc31)CC2 ZINC000069709247 190806833 /nfs/dbraw/zinc/80/68/33/190806833.db2.gz IICURGIWJJDPJD-HNNXBMFYSA-N 1 0 308.385 2.415 50 0 DEAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)c1 ZINC000069894862 190834825 /nfs/dbraw/zinc/83/48/25/190834825.db2.gz MZYBLAZOSNDODG-VXGBXAGGSA-N 1 0 321.812 2.418 50 0 DEAARO CC(C)(C(=O)NC[C@H](O)c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000170059812 539614208 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O=C(c1ccccc1)C1CCN(Cc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072158405 191060272 /nfs/dbraw/zinc/06/02/72/191060272.db2.gz IWJDSUVYNPLCDF-UHFFFAOYSA-N 1 0 324.428 2.081 50 0 DEAARO Cc1[nH]c2c(cccc2C(=O)NC[C@@]2(O)CCC[NH2+]CC2)c1C ZINC000072157112 191060508 /nfs/dbraw/zinc/06/05/08/191060508.db2.gz DEYLXFQBIJJQPC-GOSISDBHSA-N 1 0 315.417 2.019 50 0 DEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2sccc2Cl)CC1 ZINC000072173981 191069462 /nfs/dbraw/zinc/06/94/62/191069462.db2.gz BIFIHTVTYMXERG-CQSZACIVSA-N 1 0 316.854 2.320 50 0 DEAARO COC[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000072255229 191088102 /nfs/dbraw/zinc/08/81/02/191088102.db2.gz LPRYUARJPGJGEP-CVEARBPZSA-N 1 0 311.470 2.319 50 0 DEAARO O=C(Nc1cnc(C2CC2)nc1)N1CCC([NH+]2CC=CC2)CC1 ZINC000155906623 186122673 /nfs/dbraw/zinc/12/26/73/186122673.db2.gz UWWXTEUIPRECMT-UHFFFAOYSA-N 1 0 313.405 2.222 50 0 DEAARO CCc1nc(C)sc1CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072406857 191152747 /nfs/dbraw/zinc/15/27/47/191152747.db2.gz WJOCZWQKRGHYET-UHFFFAOYSA-N 1 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COc1ccc(COC[C@@H](O)C[NH2+]CCC(C)C)cc1OC ZINC000006626769 181362127 /nfs/dbraw/zinc/36/21/27/181362127.db2.gz AIKSAPYZYTYWDB-HNNXBMFYSA-N 1 0 311.422 2.217 50 0 DEAARO COc1cc(C)ccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091288921 193031624 /nfs/dbraw/zinc/03/16/24/193031624.db2.gz FKIRJAPDLKNUFS-QZTJIDSGSA-N 1 0 318.461 2.140 50 0 DEAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1cccn1)C2 ZINC000091444535 193055596 /nfs/dbraw/zinc/05/55/96/193055596.db2.gz HKQFVZOJOFFRIY-IAGOWNOFSA-N 1 0 316.449 2.162 50 0 DEAARO Cc1cccnc1NCCNC(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000091550760 193072102 /nfs/dbraw/zinc/07/21/02/193072102.db2.gz MLTANYNEFNFYFT-OAHLLOKOSA-N 1 0 304.438 2.040 50 0 DEAARO Cn1cc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)c2ccccc21 ZINC000091616936 193079198 /nfs/dbraw/zinc/07/91/98/193079198.db2.gz QEAMRESWKCLILV-GDBMZVCRSA-N 1 0 311.429 2.273 50 0 DEAARO C[NH+](C)CCc1noc([C@@H]2CCC(=O)N(C3CCCCC3)C2)n1 ZINC000091616959 193079298 /nfs/dbraw/zinc/07/92/98/193079298.db2.gz 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O=C1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C2(CCC2)N1 ZINC000282593344 217112357 /nfs/dbraw/zinc/11/23/57/217112357.db2.gz CKYNRPIYZFLECD-INIZCTEOSA-N 1 0 310.401 2.163 50 0 DEAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000015724461 182013787 /nfs/dbraw/zinc/01/37/87/182013787.db2.gz JLSIZYMNGQWRJQ-MGPQQGTHSA-N 1 0 307.390 2.418 50 0 DEAARO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1c1ccccc1 ZINC000016952589 182065880 /nfs/dbraw/zinc/06/58/80/182065880.db2.gz USWUQRVKTQVBJU-CALCHBBNSA-N 1 0 306.365 2.308 50 0 DEAARO CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019205193 182107006 /nfs/dbraw/zinc/10/70/06/182107006.db2.gz LWQWUEGBUXNATO-INIZCTEOSA-N 1 0 323.440 2.403 50 0 DEAARO OCC[C@H]1C[N@H+](CC2CC2)CCN1CCCc1ccccc1 ZINC000019226053 182107953 /nfs/dbraw/zinc/10/79/53/182107953.db2.gz OZJGYOPGXPQDRS-IBGZPJMESA-N 1 0 302.462 2.398 50 0 DEAARO O=C(COc1ccccc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019787903 182148103 /nfs/dbraw/zinc/14/81/03/182148103.db2.gz 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CC[N@H+](CCC(=O)NC(=O)NC)Cc1ccc(Cl)s1 ZINC000044072256 183393609 /nfs/dbraw/zinc/39/36/09/183393609.db2.gz ACABMSNPVVKJKZ-UHFFFAOYSA-N 1 0 303.815 2.069 50 0 DEAARO COc1ccccc1/C=C/C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000106379453 194204105 /nfs/dbraw/zinc/20/41/05/194204105.db2.gz RPYMJBFQYLVETI-YXMMZVCTSA-N 1 0 302.418 2.161 50 0 DEAARO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000106772598 194251038 /nfs/dbraw/zinc/25/10/38/194251038.db2.gz CGFNHDFTCVICJA-WMZOPIPTSA-N 1 0 302.418 2.019 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000053533995 183905863 /nfs/dbraw/zinc/90/58/63/183905863.db2.gz OMTLNTKTRCOERT-KFWWJZLASA-N 1 0 321.421 2.235 50 0 DEAARO CN1CC[N@H+](C)C[C@@H]1CNCc1ccc(Oc2ccccc2)o1 ZINC000110711832 194353395 /nfs/dbraw/zinc/35/33/95/194353395.db2.gz SWJATLMMFNGTAR-HNNXBMFYSA-N 1 0 315.417 2.407 50 0 DEAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000057192121 184029723 /nfs/dbraw/zinc/02/97/23/184029723.db2.gz 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ZINC000065588604 184369495 /nfs/dbraw/zinc/36/94/95/184369495.db2.gz CHTVWZIWOSITDQ-UHFFFAOYSA-N 1 0 319.405 2.423 50 0 DEAARO CC(=O)c1[nH]c(C)c(C(=O)NCCNc2cc(C)cc[nH+]2)c1C ZINC000065508524 184356559 /nfs/dbraw/zinc/35/65/59/184356559.db2.gz MMABEVACDFHUPQ-UHFFFAOYSA-N 1 0 314.389 2.379 50 0 DEAARO COCCC[N@@H+]1CCCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000065517080 184358600 /nfs/dbraw/zinc/35/86/00/184358600.db2.gz FBNQNSSRRATYBE-UHFFFAOYSA-N 1 0 309.385 2.402 50 0 DEAARO O=c1n(CC[NH2+]Cc2cccc3ccccc32)nc2ccccn21 ZINC000065936107 184382996 /nfs/dbraw/zinc/38/29/96/184382996.db2.gz PREHJWQJKVKWHJ-UHFFFAOYSA-N 1 0 318.380 2.439 50 0 DEAARO COc1ccc(F)c(-c2nc(CN3CC[C@H]([NH3+])C3)c(C)o2)c1 ZINC000067817965 184486832 /nfs/dbraw/zinc/48/68/32/184486832.db2.gz KRAFTAYJEVRZGH-NSHDSACASA-N 1 0 305.353 2.331 50 0 DEAARO O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000193351058 285038212 /nfs/dbraw/zinc/03/82/12/285038212.db2.gz NLQWBFPRDZAGMQ-VIFPVBQESA-N 1 0 323.245 2.165 50 0 DEAARO C[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070177367 296399362 /nfs/dbraw/zinc/39/93/62/296399362.db2.gz CEDRIYMHOGJHBE-ZYHUDNBSSA-N 1 0 302.827 2.088 50 0 DEAARO CCOc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cn1 ZINC000156169736 197091559 /nfs/dbraw/zinc/09/15/59/197091559.db2.gz IRGKFZKOLSFINK-UHFFFAOYSA-N 1 0 316.405 2.348 50 0 DEAARO CC(C)c1nc([C@H]2CCCN2C(=O)CC2CC[NH2+]CC2)no1 ZINC000155030440 197014798 /nfs/dbraw/zinc/01/47/98/197014798.db2.gz IQTZJASNQGINRQ-CYBMUJFWSA-N 1 0 306.410 2.246 50 0 DEAARO COc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000120641733 195207145 /nfs/dbraw/zinc/20/71/45/195207145.db2.gz AFPPGAIGGKEGTR-GFCCVEGCSA-N 1 0 320.414 2.345 50 0 DEAARO COc1cc(C)ccc1OCCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237108566 257239845 /nfs/dbraw/zinc/23/98/45/257239845.db2.gz KCUBAKLOSTWGAT-KBPBESRZSA-N 1 0 306.406 2.111 50 0 DEAARO CC[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072408221 257270752 /nfs/dbraw/zinc/27/07/52/257270752.db2.gz 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Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC(=O)NCCc2ccsc2)c1 ZINC000072269821 401704745 /nfs/dbraw/zinc/70/47/45/401704745.db2.gz FEIVGFANEWZJRP-KGLIPLIRSA-N 1 0 320.462 2.151 50 0 DEAARO Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)no1 ZINC000072294953 401707404 /nfs/dbraw/zinc/70/74/04/401707404.db2.gz VUEUKPYBCJCJIY-HUUCEWRRSA-N 1 0 320.437 2.347 50 0 DEAARO CCOC(=O)c1ccc(NC(=S)NCC[NH+](CC)CC)cc1 ZINC000002729338 401717186 /nfs/dbraw/zinc/71/71/86/401717186.db2.gz LMRJFAQWNVYMDS-UHFFFAOYSA-N 1 0 323.462 2.492 50 0 DEAARO CCOC(=O)c1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775587 401804394 /nfs/dbraw/zinc/80/43/94/401804394.db2.gz RTMKUZPEJXFMTQ-UHFFFAOYSA-N 1 0 321.446 2.244 50 0 DEAARO CC[C@H](CO)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008327001 401752068 /nfs/dbraw/zinc/75/20/68/401752068.db2.gz OKQGQNWLLQFNFN-SNVBAGLBSA-N 1 0 318.211 2.327 50 0 DEAARO Cn1ccnc1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077320141 401809926 /nfs/dbraw/zinc/80/99/26/401809926.db2.gz BVNNCSFEYUOFCS-UHFFFAOYSA-N 1 0 310.445 2.095 50 0 DEAARO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000010030214 401767528 /nfs/dbraw/zinc/76/75/28/401767528.db2.gz ACSMDUIFFCDHPA-OALUTQOASA-N 1 0 317.429 2.332 50 0 DEAARO CC(C)(CO)C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012318651 401783138 /nfs/dbraw/zinc/78/31/38/401783138.db2.gz RQEMJGLHOCLYHK-AWEZNQCLSA-N 1 0 300.406 2.253 50 0 DEAARO O=C([C@@H]1CCOC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077340480 401811044 /nfs/dbraw/zinc/81/10/44/401811044.db2.gz KVEFZXRBCKRCDT-GOSISDBHSA-N 1 0 316.445 2.190 50 0 DEAARO O=C([C@H]1CCOC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077340485 401811069 /nfs/dbraw/zinc/81/10/69/401811069.db2.gz KVEFZXRBCKRCDT-SFHVURJKSA-N 1 0 316.445 2.190 50 0 DEAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCOC1 ZINC000076388567 401793692 /nfs/dbraw/zinc/79/36/92/401793692.db2.gz ZCAVCVKHYBJBQU-DOTOQJQBSA-N 1 0 302.418 2.146 50 0 DEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCSc2ccccc21 ZINC000015785862 401818313 /nfs/dbraw/zinc/81/83/13/401818313.db2.gz OFXFDTBZXISPPK-CQSZACIVSA-N 1 0 319.474 2.199 50 0 DEAARO CC(C)c1nccc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)n1 ZINC000077519441 401818688 /nfs/dbraw/zinc/81/86/88/401818688.db2.gz YQMMWLIAISRUSJ-SFHVURJKSA-N 1 0 318.465 2.023 50 0 DEAARO COCc1cn(C[C@H]2CCCN(c3cc[nH+]c(C)c3)C2)nn1 ZINC000023337361 401828132 /nfs/dbraw/zinc/82/81/32/401828132.db2.gz QAMXNGHIWFIXLD-AWEZNQCLSA-N 1 0 301.394 2.045 50 0 DEAARO Cc1oc(C)c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000025393934 401833893 /nfs/dbraw/zinc/83/38/93/401833893.db2.gz UDXOANSQMOIVOX-HNNXBMFYSA-N 1 0 308.422 2.291 50 0 DEAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(Cl)cn2)C1 ZINC000077957261 401837070 /nfs/dbraw/zinc/83/70/70/401837070.db2.gz SUTFPKPXBBHXEV-CYBMUJFWSA-N 1 0 312.797 2.249 50 0 DEAARO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000131335899 401848455 /nfs/dbraw/zinc/84/84/55/401848455.db2.gz JWLUMMFSYWIQCO-YUMQZZPRSA-N 1 0 307.341 2.296 50 0 DEAARO O=C([C@@H](C[NH2+]Cc1ccco1)c1ccccc1)N1CCOCC1 ZINC000078553760 401855821 /nfs/dbraw/zinc/85/58/21/401855821.db2.gz FIFZTSNXGKNWDW-KRWDZBQOSA-N 1 0 314.385 2.012 50 0 DEAARO CC1CC[NH+](CCN(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000079094847 401869926 /nfs/dbraw/zinc/86/99/26/401869926.db2.gz CASVBXJGVILUFT-SFHVURJKSA-N 1 0 315.461 2.456 50 0 DEAARO COCCN1CC[N@H+](CC[C@H](C)c2ccccc2)CCC1=O ZINC000014955070 401814517 /nfs/dbraw/zinc/81/45/17/401814517.db2.gz OYHDNMSEXRIBLU-INIZCTEOSA-N 1 0 304.434 2.361 50 0 DEAARO C/C=C(\C)C[NH+]1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000015002238 401815087 /nfs/dbraw/zinc/81/50/87/401815087.db2.gz NIZCNRIYQOZTJB-LHHJGKSTSA-N 1 0 319.453 2.267 50 0 DEAARO Cc1ccn(CC[N@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077472602 401816438 /nfs/dbraw/zinc/81/64/38/401816438.db2.gz OAWKIPVELUZBNA-SFHVURJKSA-N 1 0 318.465 2.305 50 0 DEAARO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000079440483 401873304 /nfs/dbraw/zinc/87/33/04/401873304.db2.gz BAVDVGXKCOYALX-VIFPVBQESA-N 1 0 309.218 2.024 50 0 DEAARO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1F ZINC000032587195 401879825 /nfs/dbraw/zinc/87/98/25/401879825.db2.gz LJPHEUFXARGWKB-HNNXBMFYSA-N 1 0 302.349 2.021 50 0 DEAARO O[C@H](COc1cccc2ccccc21)C[N@@H+]1CCC[C@H](O)C1 ZINC000035574454 401900154 /nfs/dbraw/zinc/90/01/54/401900154.db2.gz RJZHHRNFYKGDKQ-HOTGVXAUSA-N 1 0 301.386 2.036 50 0 DEAARO CN(C(=O)c1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000036282803 401903876 /nfs/dbraw/zinc/90/38/76/401903876.db2.gz LBDMKNLGKFJGSU-UHFFFAOYSA-N 1 0 315.186 2.412 50 0 DEAARO Cc1cc(F)cc(S(=O)(=O)N(C)CCCC[NH+](C)C)c1 ZINC000085295802 401913974 /nfs/dbraw/zinc/91/39/74/401913974.db2.gz AXURWMCJUWIWMG-UHFFFAOYSA-N 1 0 302.415 2.096 50 0 DEAARO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547716 401915142 /nfs/dbraw/zinc/91/51/42/401915142.db2.gz AFNHYTROSHCHHP-INIZCTEOSA-N 1 0 316.445 2.188 50 0 DEAARO C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000044966562 401951925 /nfs/dbraw/zinc/95/19/25/401951925.db2.gz GQTGVUVSXOEHBQ-KBPBESRZSA-N 1 0 323.462 2.315 50 0 DEAARO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccnc2)c1 ZINC000045814674 401962445 /nfs/dbraw/zinc/96/24/45/401962445.db2.gz CQKNPMFMRUBLBH-UHFFFAOYSA-N 1 0 314.389 2.344 50 0 DEAARO Cc1cc(C)nc(SCC(=O)NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000047146818 401979232 /nfs/dbraw/zinc/97/92/32/401979232.db2.gz BBYCEYCXGGBZQK-LBPRGKRZSA-N 1 0 322.478 2.034 50 0 DEAARO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000090882898 401988320 /nfs/dbraw/zinc/98/83/20/401988320.db2.gz CTGQCLMLPGICCM-ZDUSSCGKSA-N 1 0 311.447 2.479 50 0 DEAARO CCOc1cccc(C(=O)NCC2CC[NH+](CCOC)CC2)c1 ZINC000089269892 401941148 /nfs/dbraw/zinc/94/11/48/401941148.db2.gz CZWWYJJZAIQBCB-UHFFFAOYSA-N 1 0 320.433 2.174 50 0 DEAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000044502204 401943950 /nfs/dbraw/zinc/94/39/50/401943950.db2.gz VTZUFTWKYGJOCS-VIFPVBQESA-N 1 0 323.245 2.271 50 0 DEAARO COCc1nccc([C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)n1 ZINC000089420450 401946596 /nfs/dbraw/zinc/94/65/96/401946596.db2.gz UYXLQDJIDHTTPT-GJZGRUSLSA-N 1 0 305.422 2.372 50 0 DEAARO CC(C)(O)C[NH+]1CCN(c2cc(Cl)c(Cl)cc2N)CC1 ZINC000095023525 402024163 /nfs/dbraw/zinc/02/41/63/402024163.db2.gz YLPGWBGHTOQKKK-UHFFFAOYSA-N 1 0 318.248 2.469 50 0 DEAARO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)on1 ZINC000095363368 402028717 /nfs/dbraw/zinc/02/87/17/402028717.db2.gz LEBJUDQHGVGGOY-LSDHHAIUSA-N 1 0 315.421 2.111 50 0 DEAARO Cc1nnc(SCCCn2cc([C@H]3CCC[NH2+]C3)nn2)s1 ZINC000095380234 402030407 /nfs/dbraw/zinc/03/04/07/402030407.db2.gz FXTFPRKEVADKBA-NSHDSACASA-N 1 0 324.479 2.087 50 0 DEAARO COc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc2c1OCO2 ZINC000051188196 402032937 /nfs/dbraw/zinc/03/29/37/402032937.db2.gz ZNHFVANDAFWEOO-WMLDXEAASA-N 1 0 313.353 2.172 50 0 DEAARO Cn1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1=O ZINC000051531798 402034566 /nfs/dbraw/zinc/03/45/66/402034566.db2.gz FATIYRITTICZCJ-IBGZPJMESA-N 1 0 312.413 2.331 50 0 DEAARO NC(=O)NC(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095946865 402035879 /nfs/dbraw/zinc/03/58/79/402035879.db2.gz WPPGLJAUCMNSAS-UHFFFAOYSA-N 1 0 311.385 2.274 50 0 DEAARO Cc1cccc2nc(C[N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)cn21 ZINC000095957690 402036583 /nfs/dbraw/zinc/03/65/83/402036583.db2.gz ZBFIJSGWAKTQJB-AWEZNQCLSA-N 1 0 312.417 2.133 50 0 DEAARO CCCc1noc([C@@H](C)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959567 402038001 /nfs/dbraw/zinc/03/80/01/402038001.db2.gz OUQWMYIKBHIWOV-CQSZACIVSA-N 1 0 322.453 2.127 50 0 DEAARO C[N@H+](CCn1cccn1)[C@@H](CO)c1cccc(Br)c1 ZINC000095980920 402041640 /nfs/dbraw/zinc/04/16/40/402041640.db2.gz RQVWOFMOPWDHLZ-AWEZNQCLSA-N 1 0 324.222 2.311 50 0 DEAARO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3c2cnn3C)C1 ZINC000052306122 402041724 /nfs/dbraw/zinc/04/17/24/402041724.db2.gz WMGSWRREUWCXHJ-STQMWFEESA-N 1 0 302.426 2.143 50 0 DEAARO CC(C)c1ccsc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000052984996 402049952 /nfs/dbraw/zinc/04/99/52/402049952.db2.gz FCAIRSBYBXWQQU-UHFFFAOYSA-N 1 0 309.479 2.239 50 0 DEAARO C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[NH+]1CCCCC1 ZINC000053134958 402051674 /nfs/dbraw/zinc/05/16/74/402051674.db2.gz LBMXHUUXQXNNHX-SNVBAGLBSA-N 1 0 318.343 2.043 50 0 DEAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CN2CCCC2=O)o1 ZINC000048382331 401999809 /nfs/dbraw/zinc/99/98/09/401999809.db2.gz WSRJFOBGCSWUIU-NSHDSACASA-N 1 0 302.378 2.079 50 0 DEAARO CC1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCOC3)CC2)CC1 ZINC000096404060 402078252 /nfs/dbraw/zinc/07/82/52/402078252.db2.gz DRYFWQLOWGBWKY-ISXOHVOVSA-N 1 0 323.481 2.365 50 0 DEAARO CC[NH+](CC)[C@@H](CNC(=O)c1nccn1C)c1ccccc1 ZINC000096421320 402082794 /nfs/dbraw/zinc/08/27/94/402082794.db2.gz HIVWHTOZMRFXBS-HNNXBMFYSA-N 1 0 300.406 2.233 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)NCCc2ccc(C)nc2)C1 ZINC000096440093 402087157 /nfs/dbraw/zinc/08/71/57/402087157.db2.gz QHOUKCKSRSSUMV-INIZCTEOSA-N 1 0 304.438 2.058 50 0 DEAARO CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C)[C@H]2C)CC1 ZINC000096439225 402087202 /nfs/dbraw/zinc/08/72/02/402087202.db2.gz IRVXUKZXCCEHAQ-IAGOWNOFSA-N 1 0 324.513 2.234 50 0 DEAARO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC000096447092 402089012 /nfs/dbraw/zinc/08/90/12/402089012.db2.gz AZDBPINFJWKUPF-NWDGAFQWSA-N 1 0 323.824 2.316 50 0 DEAARO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C=C(C)C)C2)cc(OC)c1 ZINC000096461631 402092219 /nfs/dbraw/zinc/09/22/19/402092219.db2.gz JOELSOAITUNBAG-OAHLLOKOSA-N 1 0 318.417 2.361 50 0 DEAARO COc1c(CN[C@H](C[NH+](C)C)c2ccccc2)c(C)nn1C ZINC000058343028 402100397 /nfs/dbraw/zinc/10/03/97/402100397.db2.gz GDSMDFPLKYZYMA-MRXNPFEDSA-N 1 0 302.422 2.130 50 0 DEAARO O=C(CN1CCC[N@@H+]2CCC[C@@H]2C1)N1CCCc2ccccc21 ZINC000058378189 402100668 /nfs/dbraw/zinc/10/06/68/402100668.db2.gz IAJWTMAVYYPBMP-QGZVFWFLSA-N 1 0 313.445 2.136 50 0 DEAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000097083989 402105362 /nfs/dbraw/zinc/10/53/62/402105362.db2.gz RBENAVMLLPMMHZ-UHFFFAOYSA-N 1 0 314.389 2.283 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000097092805 402106629 /nfs/dbraw/zinc/10/66/29/402106629.db2.gz YISJUXSNYPUJRW-CHWSQXEVSA-N 1 0 307.825 2.116 50 0 DEAARO Cn1c(CN2CC[NH+](C3CCOCC3)CC2)cc2ccccc21 ZINC000097137065 402110304 /nfs/dbraw/zinc/11/03/04/402110304.db2.gz BVOPMMDPTMFJEX-UHFFFAOYSA-N 1 0 313.445 2.475 50 0 DEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000097160002 402112943 /nfs/dbraw/zinc/11/29/43/402112943.db2.gz SZVMYWKQCWVBBN-GOEBONIOSA-N 1 0 303.406 2.255 50 0 DEAARO O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCCSC1 ZINC000097370900 402122216 /nfs/dbraw/zinc/12/22/16/402122216.db2.gz IDOJYPLDRQZNLB-CYBMUJFWSA-N 1 0 306.431 2.287 50 0 DEAARO CC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152894238 402115324 /nfs/dbraw/zinc/11/53/24/402115324.db2.gz FMZFHLTYTCVINS-NWDGAFQWSA-N 1 0 307.463 2.465 50 0 DEAARO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N1CCCCCC1 ZINC000097200509 402115800 /nfs/dbraw/zinc/11/58/00/402115800.db2.gz YVHZTYPOQHYMDL-INIZCTEOSA-N 1 0 316.449 2.218 50 0 DEAARO Cc1c(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2=O)cnn1C ZINC000097229825 402118657 /nfs/dbraw/zinc/11/86/57/402118657.db2.gz TYPVFMWWXSVBMU-MRXNPFEDSA-N 1 0 316.380 2.153 50 0 DEAARO C[NH+](C)[C@H]1CCN(c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000096140354 402062120 /nfs/dbraw/zinc/06/21/20/402062120.db2.gz NIUFVRQCFIWXCY-AWEZNQCLSA-N 1 0 310.401 2.100 50 0 DEAARO C[NH+](C)CCCNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000096192881 402066815 /nfs/dbraw/zinc/06/68/15/402066815.db2.gz OETDHHJWYOPLGP-MRXNPFEDSA-N 1 0 323.824 2.291 50 0 DEAARO COc1cccc(CNc2cc(C)[nH+]c(N3CCOCC3)n2)c1 ZINC000065397367 402125118 /nfs/dbraw/zinc/12/51/18/402125118.db2.gz LRDNBBBFPXRYNC-UHFFFAOYSA-N 1 0 314.389 2.242 50 0 DEAARO COc1ccc(/C=C/C[N@@H+]2CC[C@H](N3CCN(C)CC3)C2)cc1 ZINC000097655320 402129333 /nfs/dbraw/zinc/12/93/33/402129333.db2.gz YHOGDURXDFRGDU-WHLIDYPQSA-N 1 0 315.461 2.030 50 0 DEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc3nccnc32)C1 ZINC000097758047 402132175 /nfs/dbraw/zinc/13/21/75/402132175.db2.gz IPWSKEIWHSVLJV-CYBMUJFWSA-N 1 0 310.401 2.329 50 0 DEAARO Cc1cccc2nc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cn21 ZINC000066948791 402147730 /nfs/dbraw/zinc/14/77/30/402147730.db2.gz BAJKSWLJKRRYTG-AWEZNQCLSA-N 1 0 300.406 2.199 50 0 DEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000123929924 402154826 /nfs/dbraw/zinc/15/48/26/402154826.db2.gz ITAYXGFEUMHWSA-NXEZZACHSA-N 1 0 320.817 2.227 50 0 DEAARO CCCn1ccnc1CN1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000067955649 402180350 /nfs/dbraw/zinc/18/03/50/402180350.db2.gz UNVPJOXUCWDJFH-IYBDPMFKSA-N 1 0 320.481 2.367 50 0 DEAARO O=C(NC[C@@H]1CC[N@H+](Cc2cccs2)C1)C(=O)c1ccco1 ZINC000067432681 402159190 /nfs/dbraw/zinc/15/91/90/402159190.db2.gz GVWWKVHUJVZNLA-LBPRGKRZSA-N 1 0 318.398 2.162 50 0 DEAARO C[N@@H+]1CCCC[C@@H]1Cn1ccnc1-c1ccccc1OCCO ZINC000067677412 402167168 /nfs/dbraw/zinc/16/71/68/402167168.db2.gz MOGSNMLIBSSLHN-OAHLLOKOSA-N 1 0 315.417 2.406 50 0 DEAARO Fc1cnc(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)nc1 ZINC000067713152 402170025 /nfs/dbraw/zinc/17/00/25/402170025.db2.gz PTBUGSBJRUOXGU-UHFFFAOYSA-N 1 0 311.364 2.419 50 0 DEAARO CCc1ccccc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067755347 402171221 /nfs/dbraw/zinc/17/12/21/402171221.db2.gz QCKLSUDFZHQASK-UHFFFAOYSA-N 1 0 315.461 2.101 50 0 DEAARO Cc1cccn2cc(C(=O)N(C)C[C@]3(C)CC[N@H+](C)C3)nc12 ZINC000067773734 402172557 /nfs/dbraw/zinc/17/25/57/402172557.db2.gz NLMNYNOACWVWNQ-QGZVFWFLSA-N 1 0 300.406 2.057 50 0 DEAARO CC[N@H+](CCn1c2ccccc2oc1=O)CC1CCOCC1 ZINC000067774757 402172607 /nfs/dbraw/zinc/17/26/07/402172607.db2.gz AXMGBLQGCHZENY-UHFFFAOYSA-N 1 0 304.390 2.343 50 0 DEAARO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000067821042 402173492 /nfs/dbraw/zinc/17/34/92/402173492.db2.gz ADKRCKGXVNBMCL-OAHLLOKOSA-N 1 0 310.463 2.065 50 0 DEAARO c1ccc2[nH]c(CCNc3cc([C@H]4CCC[NH2+]C4)ncn3)nc2c1 ZINC000067841070 402174865 /nfs/dbraw/zinc/17/48/65/402174865.db2.gz ILVAWBDQDFVSGT-ZDUSSCGKSA-N 1 0 322.416 2.475 50 0 DEAARO COCC[NH+]1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000067867673 402176713 /nfs/dbraw/zinc/17/67/13/402176713.db2.gz JBDIKEGASONXBN-UHFFFAOYSA-N 1 0 300.406 2.152 50 0 DEAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCNS(C)(=O)=O)C2)cc1C ZINC000067895224 402177817 /nfs/dbraw/zinc/17/78/17/402177817.db2.gz VHBYYLIZZQCNCP-INIZCTEOSA-N 1 0 324.490 2.455 50 0 DEAARO CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069415529 402222175 /nfs/dbraw/zinc/22/21/75/402222175.db2.gz YDHJNFKRRRBVIO-MSOLQXFVSA-N 1 0 315.461 2.422 50 0 DEAARO COC(=O)CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000069442780 402224439 /nfs/dbraw/zinc/22/44/39/402224439.db2.gz VLFXOELLVFQKJG-UHFFFAOYSA-N 1 0 311.328 2.423 50 0 DEAARO COC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000069459032 402224751 /nfs/dbraw/zinc/22/47/51/402224751.db2.gz CONYTFFGKZONBU-CQSZACIVSA-N 1 0 319.405 2.165 50 0 DEAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)nc1 ZINC000069455044 402224773 /nfs/dbraw/zinc/22/47/73/402224773.db2.gz AJDNYDZSRADMKF-HOTGVXAUSA-N 1 0 314.433 2.355 50 0 DEAARO CCCc1noc(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000069528785 402229175 /nfs/dbraw/zinc/22/91/75/402229175.db2.gz QJGCMICSAYKJLJ-KGLIPLIRSA-N 1 0 320.437 2.040 50 0 DEAARO Cc1cnn(C[C@H](C)[NH2+]CCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000069571057 402231926 /nfs/dbraw/zinc/23/19/26/402231926.db2.gz CVTANKVYRINNGA-HOTGVXAUSA-N 1 0 314.433 2.437 50 0 DEAARO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc(F)cc1 ZINC000069708794 402240605 /nfs/dbraw/zinc/24/06/05/402240605.db2.gz XEJHQNJTCMKGPI-OAHLLOKOSA-N 1 0 309.385 2.184 50 0 DEAARO Cc1ccccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000069708787 402240732 /nfs/dbraw/zinc/24/07/32/402240732.db2.gz ZNZHEYKVDCVFDR-KRWDZBQOSA-N 1 0 315.461 2.237 50 0 DEAARO C[C@H]1CN(Cc2ccccn2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069739890 402241610 /nfs/dbraw/zinc/24/16/10/402241610.db2.gz HPRGDHSXSYFNCN-LPHOPBHVSA-N 1 0 311.429 2.321 50 0 DEAARO CC(C)(C)[C@@H](O)C[NH+]1CCN(C(=O)CCc2ccsc2)CC1 ZINC000069770620 402242919 /nfs/dbraw/zinc/24/29/19/402242919.db2.gz KMICEQHIJGWJQW-HNNXBMFYSA-N 1 0 324.490 2.232 50 0 DEAARO C[C@H]1C[NH2+]CCN1C(=O)COc1ccc(Cl)c2cccnc12 ZINC000126114441 402264870 /nfs/dbraw/zinc/26/48/70/402264870.db2.gz OETGALAJIJBXAK-NSHDSACASA-N 1 0 319.792 2.087 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1c(C)noc1C ZINC000069877691 402248845 /nfs/dbraw/zinc/24/88/45/402248845.db2.gz ORONLJOENCWBPP-HOTGVXAUSA-N 1 0 305.422 2.309 50 0 DEAARO O=C(NCc1ccsc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069924615 402251680 /nfs/dbraw/zinc/25/16/80/402251680.db2.gz JJGGKVVMHGPIRW-HNNXBMFYSA-N 1 0 323.462 2.002 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000069969735 402252887 /nfs/dbraw/zinc/25/28/87/402252887.db2.gz SFWFLAFPYFDQPD-INIZCTEOSA-N 1 0 320.400 2.148 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000071142770 402270152 /nfs/dbraw/zinc/27/01/52/402270152.db2.gz MEHWTLFHOBYGBL-LBPRGKRZSA-N 1 0 311.223 2.060 50 0 DEAARO CC(C)C[N@@H+]1CCC[C@H](CCNC(=O)c2ccnc(N)c2)C1 ZINC000071278651 402272051 /nfs/dbraw/zinc/27/20/51/402272051.db2.gz VIHBRUXQXSWGQZ-CQSZACIVSA-N 1 0 304.438 2.152 50 0 DEAARO Cc1cc(C2CCC2)nc(NCC[C@H](C)[NH+]2CCN(C)CC2)n1 ZINC000071415708 402273916 /nfs/dbraw/zinc/27/39/16/402273916.db2.gz JVLOJHQFNHSFKJ-HNNXBMFYSA-N 1 0 317.481 2.490 50 0 DEAARO [NH3+]C1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000071774401 402277152 /nfs/dbraw/zinc/27/71/52/402277152.db2.gz AUIQULPJFGKDOB-LBPRGKRZSA-N 1 0 315.200 2.385 50 0 DEAARO [NH3+]C1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000071774402 402277463 /nfs/dbraw/zinc/27/74/63/402277463.db2.gz AUIQULPJFGKDOB-GFCCVEGCSA-N 1 0 315.200 2.385 50 0 DEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(=O)[nH]c1 ZINC000071815235 402280454 /nfs/dbraw/zinc/28/04/54/402280454.db2.gz FJPHRVWXKCOHRF-CYBMUJFWSA-N 1 0 317.414 2.003 50 0 DEAARO Cc1n[nH]cc1C[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000071819580 402281455 /nfs/dbraw/zinc/28/14/55/402281455.db2.gz ZTJQRCOQALECNO-UHFFFAOYSA-N 1 0 300.284 2.344 50 0 DEAARO C[N@H+](CCCn1cccn1)Cc1cnc(N2CCCCC2)nc1 ZINC000215338434 402283287 /nfs/dbraw/zinc/28/32/87/402283287.db2.gz YBAMVKNKFSGHRY-UHFFFAOYSA-N 1 0 314.437 2.186 50 0 DEAARO COc1cc2c(cc1C[NH2+]CCNc1ncccn1)O[C@@H](C)C2 ZINC000071825405 402283565 /nfs/dbraw/zinc/28/35/65/402283565.db2.gz AGRHJXRFSVYTGR-LBPRGKRZSA-N 1 0 314.389 2.010 50 0 DEAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC000215782508 402284992 /nfs/dbraw/zinc/28/49/92/402284992.db2.gz YUFCXKIURMWWTL-UHFFFAOYSA-N 1 0 308.470 2.002 50 0 DEAARO Cc1nccc(C2CC[NH+](CC(C)(C)N3CCOCC3)CC2)n1 ZINC000215933637 402285872 /nfs/dbraw/zinc/28/58/72/402285872.db2.gz DIZYALWZUMMXFR-UHFFFAOYSA-N 1 0 318.465 2.075 50 0 DEAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1)CCC2 ZINC000215877328 402285913 /nfs/dbraw/zinc/28/59/13/402285913.db2.gz XIBIDGBXBRJVBS-QGZVFWFLSA-N 1 0 302.418 2.284 50 0 DEAARO Cn1cc(CC[N@H+](C)Cc2cccc(Cn3cccn3)c2)cn1 ZINC000216378548 402288389 /nfs/dbraw/zinc/28/83/89/402288389.db2.gz DZRSXCKLAJZBKI-UHFFFAOYSA-N 1 0 309.417 2.339 50 0 DEAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNc3ncncn3)O2)CC1 ZINC000219195448 402297662 /nfs/dbraw/zinc/29/76/62/402297662.db2.gz FFCWPWFSKWULKY-OAHLLOKOSA-N 1 0 317.437 2.263 50 0 DEAARO CC1([C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)OCCO1 ZINC000222277211 402306911 /nfs/dbraw/zinc/30/69/11/402306911.db2.gz BSXVUZBTKWPDCA-CZUORRHYSA-N 1 0 309.381 2.334 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@@H](C)O1 ZINC000229257275 402341742 /nfs/dbraw/zinc/34/17/42/402341742.db2.gz WKHLIHQYJHDRNM-JHJVBQTASA-N 1 0 311.451 2.170 50 0 DEAARO CC[C@@H]1CN(C[C@@H](O)c2ccc(C)c(C)c2)CC[N@@H+]1CCOC ZINC000229387649 402343029 /nfs/dbraw/zinc/34/30/29/402343029.db2.gz SUSXZTHZFYUHNP-RTBURBONSA-N 1 0 320.477 2.379 50 0 DEAARO C[C@@H]1C[NH+](C(C)(C)CNC(=O)/C=C\c2ccco2)C[C@@H](C)O1 ZINC000229486699 402343318 /nfs/dbraw/zinc/34/33/18/402343318.db2.gz JGKQAZINPBVCJP-JUBSNLHESA-N 1 0 306.406 2.297 50 0 DEAARO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COCc2cccs2)cn1 ZINC000229562946 402343967 /nfs/dbraw/zinc/34/39/67/402343967.db2.gz HKTJJFWMHJXTSK-ZBFHGGJFSA-N 1 0 321.446 2.196 50 0 DEAARO CC[N@@H+]1CC[C@H](N(C)c2ncc(Br)cn2)[C@@H](C)C1 ZINC000229925590 402346143 /nfs/dbraw/zinc/34/61/43/402346143.db2.gz XACZYYVGJUCUPY-JQWIXIFHSA-N 1 0 313.243 2.406 50 0 DEAARO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1Br ZINC000160654528 402355624 /nfs/dbraw/zinc/35/56/24/402355624.db2.gz JPQVNRYUPNYOCV-NSHDSACASA-N 1 0 311.223 2.439 50 0 DEAARO Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227187536 402331201 /nfs/dbraw/zinc/33/12/01/402331201.db2.gz QGVKGPBDXBCRTP-RYUDHWBXSA-N 1 0 316.854 2.396 50 0 DEAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(Br)s1 ZINC000237960788 402428270 /nfs/dbraw/zinc/42/82/70/402428270.db2.gz CCSFOJMARPLATG-DNQSNQRASA-N 1 0 315.236 2.474 50 0 DEAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000237979181 402429540 /nfs/dbraw/zinc/42/95/40/402429540.db2.gz MTYBSVAOJYKIPL-LBPRGKRZSA-N 1 0 323.245 2.246 50 0 DEAARO Cc1cncc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000241383138 402443459 /nfs/dbraw/zinc/44/34/59/402443459.db2.gz MSUXTCSVUAYWQW-DLBZAZTESA-N 1 0 300.406 2.212 50 0 DEAARO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1O ZINC000244723515 402449025 /nfs/dbraw/zinc/44/90/25/402449025.db2.gz MDALNMAGNNDHLX-MRXNPFEDSA-N 1 0 318.417 2.074 50 0 DEAARO CC1(C(=O)N[C@H]2CCC[C@@H]2O)CC[NH+](Cc2ccccc2)CC1 ZINC000165122614 402473180 /nfs/dbraw/zinc/47/31/80/402473180.db2.gz CQFZKQZXUCUBIP-IRXDYDNUSA-N 1 0 316.445 2.318 50 0 DEAARO COCCNc1nc(NC2CC=CC2)nc(NC2CC=CC2)[nH+]1 ZINC000170682312 402513778 /nfs/dbraw/zinc/51/37/78/402513778.db2.gz VOADHVGCUQSRGZ-UHFFFAOYSA-N 1 0 316.409 2.191 50 0 DEAARO CNC(=O)CN1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000170070044 402503240 /nfs/dbraw/zinc/50/32/40/402503240.db2.gz XPAOISUIXYHXSE-KUHUBIRLSA-N 1 0 315.461 2.028 50 0 DEAARO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178859457 402547747 /nfs/dbraw/zinc/54/77/47/402547747.db2.gz 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402626712 /nfs/dbraw/zinc/62/67/12/402626712.db2.gz TZBUYGBWIAIJIB-HNNXBMFYSA-N 1 0 302.422 2.330 50 0 DEAARO CCN(CCC[NH+]1CCCC1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000190232583 402586140 /nfs/dbraw/zinc/58/61/40/402586140.db2.gz MYKUITGGAIKOJX-HUUCEWRRSA-N 1 0 311.470 2.460 50 0 DEAARO O[C@H](C[N@@H+]1CCCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000190377789 402596197 /nfs/dbraw/zinc/59/61/97/402596197.db2.gz ONPNNEVCKTTZQJ-CQSZACIVSA-N 1 0 308.388 2.498 50 0 DEAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccncc1 ZINC000249692767 402638660 /nfs/dbraw/zinc/63/86/60/402638660.db2.gz MZPZXIBUFFKCDQ-DLBZAZTESA-N 1 0 301.434 2.490 50 0 DEAARO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000192216426 402717304 /nfs/dbraw/zinc/71/73/04/402717304.db2.gz DNUMWOAYCTZYMW-QGZVFWFLSA-N 1 0 302.418 2.194 50 0 DEAARO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)ccc1F ZINC000253420097 402665339 /nfs/dbraw/zinc/66/53/39/402665339.db2.gz XIYSELOKUFAIRB-CYBMUJFWSA-N 1 0 314.426 2.239 50 0 DEAARO CN(C(=O)c1ccncc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000253420600 402665513 /nfs/dbraw/zinc/66/55/13/402665513.db2.gz NMDRMFVURXDNFM-UHFFFAOYSA-N 1 0 324.428 2.256 50 0 DEAARO O[C@@H](C[NH+]1CCC(CNc2cnccn2)CC1)c1ccccc1 ZINC000253429521 402666304 /nfs/dbraw/zinc/66/63/04/402666304.db2.gz SXGQAUCGCWYVJL-KRWDZBQOSA-N 1 0 312.417 2.334 50 0 DEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000253432711 402666919 /nfs/dbraw/zinc/66/69/19/402666919.db2.gz MZFPVTNQWQLRRT-BZUAXINKSA-N 1 0 304.459 2.443 50 0 DEAARO C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C[C@H](C)O1 ZINC000182391965 402685894 /nfs/dbraw/zinc/68/58/94/402685894.db2.gz OMTLNTKTRCOERT-QLFBSQMISA-N 1 0 321.421 2.235 50 0 DEAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2OC)C1 ZINC000255513024 402689587 /nfs/dbraw/zinc/68/95/87/402689587.db2.gz IENPJKVMAXFMNF-RYBZSIHZSA-N 1 0 308.809 2.430 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N1CC[C@H](C[NH3+])C1 ZINC000255630699 402693173 /nfs/dbraw/zinc/69/31/73/402693173.db2.gz CZHGPGBLIBEDGP-DSYXLKISSA-N 1 0 324.856 2.321 50 0 DEAARO C[NH+](C)CC1(O)CCC2(CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000257175847 402700854 /nfs/dbraw/zinc/70/08/54/402700854.db2.gz AAQZQPBPKLDRIK-UHFFFAOYSA-N 1 0 320.433 2.369 50 0 DEAARO COCc1ncc(C)n1CCNC(=O)c1ccc2ncccc2c1 ZINC000257192295 402701716 /nfs/dbraw/zinc/70/17/16/402701716.db2.gz QNRFDHJQPZMYHF-UHFFFAOYSA-N 1 0 324.384 2.316 50 0 DEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000195542937 402850791 /nfs/dbraw/zinc/85/07/91/402850791.db2.gz LNJUSYOWPAMVHY-YUMQZZPRSA-N 1 0 304.287 2.442 50 0 DEAARO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2cccc(C)n2)C1 ZINC000286361638 403508076 /nfs/dbraw/zinc/50/80/76/403508076.db2.gz LITIGBTVYNVUHE-GJZGRUSLSA-N 1 0 318.421 2.107 50 0 DEAARO CCCCC[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299766632 403569743 /nfs/dbraw/zinc/56/97/43/403569743.db2.gz GBKLQEOFQYIHPA-UHFFFAOYSA-N 1 0 300.410 2.291 50 0 DEAARO Cc1nonc1C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299768858 403569771 /nfs/dbraw/zinc/56/97/71/403569771.db2.gz MRQZHEJWSRPHAJ-HNNXBMFYSA-N 1 0 314.389 2.020 50 0 DEAARO Cc1ccc([C@]2(C(=O)N(CCO)CC[NH+](C)C)CC2(C)C)cc1 ZINC000299773601 403570384 /nfs/dbraw/zinc/57/03/84/403570384.db2.gz DLNKAJNJPTWQGA-IBGZPJMESA-N 1 0 318.461 2.045 50 0 DEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)COC3=O)C1 ZINC000299775963 403572110 /nfs/dbraw/zinc/57/21/10/403572110.db2.gz MESYDXIAAKSVIV-CQSZACIVSA-N 1 0 317.389 2.305 50 0 DEAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000299793980 403577353 /nfs/dbraw/zinc/57/73/53/403577353.db2.gz HWGVRFFAQXPRDO-BONVTDFDSA-N 1 0 302.422 2.212 50 0 DEAARO CCCCOc1cccc(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000299799570 403578484 /nfs/dbraw/zinc/57/84/84/403578484.db2.gz SHORKQJYOAAHKW-HOTGVXAUSA-N 1 0 321.421 2.004 50 0 DEAARO CCc1oc2ccccc2c1C[N@H+](C)CCN1CCNC1=O ZINC000289186957 403865968 /nfs/dbraw/zinc/86/59/68/403865968.db2.gz IRVCTPIBZQRJLU-UHFFFAOYSA-N 1 0 301.390 2.452 50 0 DEAARO CCOCCCNC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000426478256 405362282 /nfs/dbraw/zinc/36/22/82/405362282.db2.gz ZEAKYGVTDNOZJX-UHFFFAOYSA-N 1 0 320.437 2.038 50 0 DEAARO CCCN(Cc1nccn1C)c1cc([C@H]2CCOC2)ncn1 ZINC000426589953 405370432 /nfs/dbraw/zinc/37/04/32/405370432.db2.gz JNXPVIYOGUEHAU-ZDUSSCGKSA-N 1 0 301.394 2.131 50 0 DEAARO C[NH+]1CCC(O)(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426635764 405372265 /nfs/dbraw/zinc/37/22/65/405372265.db2.gz ZBHVICODERUNGJ-MRXNPFEDSA-N 1 0 316.445 2.095 50 0 DEAARO Cn1c(CCNC(=O)C(C)(C)[NH+]2CCCC2)nc2ccccc21 ZINC000426658365 405373238 /nfs/dbraw/zinc/37/32/38/405373238.db2.gz LYKIQAFKXFEGLE-UHFFFAOYSA-N 1 0 314.433 2.106 50 0 DEAARO [NH3+]CCOc1cccc(C(=O)N[C@H]2COC3(C2)CCCCC3)c1 ZINC000426684597 405374686 /nfs/dbraw/zinc/37/46/86/405374686.db2.gz ZKIQBQRTEBJZFD-OAHLLOKOSA-N 1 0 318.417 2.246 50 0 DEAARO C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000583651418 405780173 /nfs/dbraw/zinc/78/01/73/405780173.db2.gz LEHJQUDAOVQZLV-GFCCVEGCSA-N 1 0 302.415 2.100 50 0 DEAARO CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@H](c3ncc[nH]3)C2)C1=O ZINC000583651524 405780312 /nfs/dbraw/zinc/78/03/12/405780312.db2.gz OKPMZVDIMNESRT-KBPBESRZSA-N 1 0 304.438 2.236 50 0 DEAARO CC[NH+](CC)CC[C@H](CO)NCc1c(C)nc2sc(C)cn12 ZINC000585118167 405869782 /nfs/dbraw/zinc/86/97/82/405869782.db2.gz FCDBUISZAJFFST-CQSZACIVSA-N 1 0 324.494 2.195 50 0 DEAARO CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(=O)N1CCOCC1 ZINC000488411748 406318114 /nfs/dbraw/zinc/31/81/14/406318114.db2.gz KQWCDCVJIQJWRM-RDBSUJKOSA-N 1 0 314.495 2.134 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000132691214 196276304 /nfs/dbraw/zinc/27/63/04/196276304.db2.gz ZNMLSRSETOSOBW-NSHDSACASA-N 1 0 324.306 2.064 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000133251976 196325588 /nfs/dbraw/zinc/32/55/88/196325588.db2.gz BZHGHVIJUNNZQO-AWEZNQCLSA-N 1 0 316.380 2.144 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C)C1 ZINC000134167370 196367471 /nfs/dbraw/zinc/36/74/71/196367471.db2.gz UOSFBJYHHKLXIC-ZDUSSCGKSA-N 1 0 316.380 2.144 50 0 DEAARO Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ncn1 ZINC000242339346 225215637 /nfs/dbraw/zinc/21/56/37/225215637.db2.gz ZHBDQWIOVFSYNW-DLBZAZTESA-N 1 0 312.417 2.080 50 0 DEAARO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(F)c3cccnc23)C[C@H]1C ZINC000252474372 225247405 /nfs/dbraw/zinc/24/74/05/225247405.db2.gz BZKVNKBTUICIPW-KGLIPLIRSA-N 1 0 317.408 2.261 50 0 DEAARO O=C([C@H]1CCCC[NH2+]1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000299749402 229393400 /nfs/dbraw/zinc/39/34/00/229393400.db2.gz KETBCMRVSTWLDD-SJORKVTESA-N 1 0 320.408 2.240 50 0 DEAARO COc1cc(OC)nc(NC[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534646570 421695023 /nfs/dbraw/zinc/69/50/23/421695023.db2.gz IOGOHGWBZUYBJT-GFCCVEGCSA-N 1 0 306.410 2.170 50 0 DEAARO Cc1csc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000045357020 424816762 /nfs/dbraw/zinc/81/67/62/424816762.db2.gz SXEFZZGESNHSAK-UHFFFAOYSA-N 1 0 322.478 2.469 50 0 DEAARO Cn1ncc2c1ncnc2NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000045802187 424818503 /nfs/dbraw/zinc/81/85/03/424818503.db2.gz UDTMLBVLSRMGHO-AWEZNQCLSA-N 1 0 302.426 2.286 50 0 DEAARO C[C@H](CNC(=S)Nc1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000046110859 424819692 /nfs/dbraw/zinc/81/96/92/424819692.db2.gz WKELHGBPQVVVLZ-GFCCVEGCSA-N 1 0 321.446 2.229 50 0 DEAARO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccccc1 ZINC000048366679 424832841 /nfs/dbraw/zinc/83/28/41/424832841.db2.gz RXKOZZPEIXVGNJ-UHFFFAOYSA-N 1 0 301.390 2.031 50 0 DEAARO CC(C)CC[NH+]1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000047869523 424827874 /nfs/dbraw/zinc/82/78/74/424827874.db2.gz YREBUMROBJKVAU-UHFFFAOYSA-N 1 0 304.394 2.493 50 0 DEAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000333228565 268908775 /nfs/dbraw/zinc/90/87/75/268908775.db2.gz BLZZMKDYDDBHCB-HJWJTTGWSA-N 1 0 302.418 2.411 50 0 DEAARO NC(=O)[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058294540 274938436 /nfs/dbraw/zinc/93/84/36/274938436.db2.gz CWZKSWIIWGJUIT-KRWDZBQOSA-N 1 0 301.434 2.163 50 0 DEAARO CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000069351216 276071911 /nfs/dbraw/zinc/07/19/11/276071911.db2.gz YKEAEIRXDQAFSU-HZPDHXFCSA-N 1 0 319.497 2.326 50 0 DEAARO CN1CCC[C@@](O)(C[NH2+]Cc2ccccc2-c2ccccc2)C1=O ZINC000014963714 277071001 /nfs/dbraw/zinc/07/10/01/277071001.db2.gz VNWMESOLWGYUFM-HXUWFJFHSA-N 1 0 324.424 2.427 50 0 DEAARO COC(=O)[C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC000229862572 277106861 /nfs/dbraw/zinc/10/68/61/277106861.db2.gz JDLGCUAPLDHNLA-XIRDDKMYSA-N 1 0 321.392 2.318 50 0 DEAARO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000299739200 277929237 /nfs/dbraw/zinc/92/92/37/277929237.db2.gz LSWANSZXNSGTPG-JCKWVBRZSA-N 1 0 302.418 2.399 50 0 DEAARO C[C@@H](C1CCN(c2cc(N(C)C)ncn2)CC1)[NH+]1CCCC1 ZINC000095383805 278220106 /nfs/dbraw/zinc/22/01/06/278220106.db2.gz PVOQQKRCIPZRON-AWEZNQCLSA-N 1 0 303.454 2.243 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c2cccnc12 ZINC000237536438 278839287 /nfs/dbraw/zinc/83/92/87/278839287.db2.gz NQFVGDOHHBVZJE-STQMWFEESA-N 1 0 319.430 2.044 50 0 DEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000237936910 279678241 /nfs/dbraw/zinc/67/82/41/279678241.db2.gz BKSWMVZLQHKEOY-LALPHHSUSA-N 1 0 308.809 2.367 50 0 DEAARO O=C(COCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058344088 279785679 /nfs/dbraw/zinc/78/56/79/279785679.db2.gz UWXPIRLNQJEWPB-QGZVFWFLSA-N 1 0 302.418 2.290 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000299752844 281369906 /nfs/dbraw/zinc/36/99/06/281369906.db2.gz VSJHTOPRGOZUMM-ZOBUZTSGSA-N 1 0 302.418 2.412 50 0 DEAARO Cc1ccccc1[C@H]1CN(C(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000237700862 281394338 /nfs/dbraw/zinc/39/43/38/281394338.db2.gz RIXVUUNOKCOAHQ-WMLDXEAASA-N 1 0 302.418 2.283 50 0 DEAARO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000247446779 295257781 /nfs/dbraw/zinc/25/77/81/295257781.db2.gz YIJUTPILDQOKMF-ZLKJLUDKSA-N 1 0 323.234 2.360 50 0 DEAARO NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367464098 303252174 /nfs/dbraw/zinc/25/21/74/303252174.db2.gz PSSBRUYCDNUWBN-AWEZNQCLSA-N 1 0 316.323 2.248 50 0 DEAARO CCCS(=O)(=O)NC[C@H](C)[NH2+]C1(c2cccc(C)c2)CC1 ZINC000534583231 334289956 /nfs/dbraw/zinc/28/99/56/334289956.db2.gz UDPGMMYYZGLLDG-AWEZNQCLSA-N 1 0 310.463 2.292 50 0 DEAARO c1nc2ncnc(NC[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2[nH]1 ZINC000534592687 334294739 /nfs/dbraw/zinc/29/47/39/334294739.db2.gz KEYLKVMURKMFKQ-LBPRGKRZSA-N 1 0 300.410 2.371 50 0 DEAARO CCC[C@H](CNC(=O)N1CC(Oc2ccc(C)cc2)C1)[NH+](C)C ZINC000534640842 334311195 /nfs/dbraw/zinc/31/11/95/334311195.db2.gz SWTZTKQBHPJPHK-OAHLLOKOSA-N 1 0 319.449 2.498 50 0 DEAARO O=C(CCCc1ccc(F)cc1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534649907 334311398 /nfs/dbraw/zinc/31/13/98/334311398.db2.gz BOSODODJBNCRIZ-IRXDYDNUSA-N 1 0 320.408 2.128 50 0 DEAARO COc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1CO ZINC000097103155 337382249 /nfs/dbraw/zinc/38/22/49/337382249.db2.gz BENCBVOSAOUAMT-XQQFMLRXSA-N 1 0 306.406 2.387 50 0 DEAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(O)c1 ZINC000119486791 337382922 /nfs/dbraw/zinc/38/29/22/337382922.db2.gz YPMARJLAJYKOAX-LBPRGKRZSA-N 1 0 320.414 2.233 50 0 DEAARO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000159236775 337383434 /nfs/dbraw/zinc/38/34/34/337383434.db2.gz WUBLMAVMHWZYSW-OAHLLOKOSA-N 1 0 323.481 2.001 50 0 DEAARO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000248428243 533998577 /nfs/dbraw/zinc/99/85/77/533998577.db2.gz AOYRSDCRDFWIAP-QSJFSLAZSA-N 1 0 304.434 2.488 50 0 DEAARO Cc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(Cl)cc1F ZINC000408519190 534035606 /nfs/dbraw/zinc/03/56/06/534035606.db2.gz PXTNEVFOVWOADF-ZJUUUORDSA-N 1 0 320.817 2.288 50 0 DEAARO CCOc1ccc([C@@H](C)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1OCC ZINC000376790557 528593420 /nfs/dbraw/zinc/59/34/20/528593420.db2.gz FPTSMAONWRCECD-SJKOYZFVSA-N 1 0 324.396 2.363 50 0 DEAARO CN(C(=O)c1cc2ccccc2nc1N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000299738806 563938594 /nfs/dbraw/zinc/93/85/94/563938594.db2.gz GSVCXGMQTXQHFV-OAHLLOKOSA-N 1 0 324.428 2.269 50 0 DEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)OCO2 ZINC000888088858 634997525 /nfs/dbraw/zinc/99/75/25/634997525.db2.gz URQAXQZHFXKUCB-CABCVRRESA-N 1 0 316.401 2.410 50 0 DEAARO C[C@H]([NH3+])CONC(=O)c1cc(Cl)ccc1Br ZINC000888094258 635499100 /nfs/dbraw/zinc/49/91/00/635499100.db2.gz BZQXKQUKTOLBKC-LURJTMIESA-N 1 0 307.575 2.111 50 0 DEAARO Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178570166 635928666 /nfs/dbraw/zinc/92/86/66/635928666.db2.gz CZHGPGBLIBEDGP-MUBLQREKSA-N 1 0 324.856 2.321 50 0 DEAARO FC(F)(F)CCC[NH2+]Cc1cccnc1N1CCOCC1 ZINC000015065482 683850152 /nfs/dbraw/zinc/85/01/52/683850152.db2.gz NYFWOCQTNSSKRC-UHFFFAOYSA-N 1 0 303.328 2.350 50 0 DEAARO CCc1ccc(CN(C)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)nc1 ZINC000063856460 683922974 /nfs/dbraw/zinc/92/29/74/683922974.db2.gz CNBYQJJFMYTEOI-RTBURBONSA-N 1 0 317.477 2.455 50 0 DEAARO Cc1cc(C)n([C@@H]2CCN(c3nc(N(C)C)[nH+]c(C)c3C)C2)n1 ZINC000065424936 683923143 /nfs/dbraw/zinc/92/31/43/683923143.db2.gz QEGXUEQVTPWLSC-OAHLLOKOSA-N 1 0 314.437 2.424 50 0 DEAARO Cc1cc(F)ccc1-c1nccn1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000071761127 683927637 /nfs/dbraw/zinc/92/76/37/683927637.db2.gz IHEJALLFKWJXKN-OAHLLOKOSA-N 1 0 303.381 2.454 50 0 DEAARO c1nc2c([nH]1)C1(CCOCC1)N(CCC[NH+]1CCCCC1)CC2 ZINC000585133065 778829083 /nfs/dbraw/zinc/82/90/83/778829083.db2.gz QJOFJRYQWDFUGA-UHFFFAOYSA-N 1 0 318.465 2.150 50 0 DEAARO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000825631410 783634464 /nfs/dbraw/zinc/63/44/64/783634464.db2.gz YWZNWLCSJVBAAE-CQSZACIVSA-N 1 0 310.405 2.044 50 0 DEAARO [NH3+]C[C@H]1CCCCN1C(=O)NCC1(COc2ccccc2)CC1 ZINC000827267965 783670328 /nfs/dbraw/zinc/67/03/28/783670328.db2.gz JQNYEVUMZWGDIA-OAHLLOKOSA-N 1 0 317.433 2.368 50 0 DEAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(S(=O)(=O)C(C)C)C1 ZINC000575545935 784254081 /nfs/dbraw/zinc/25/40/81/784254081.db2.gz LAFIBGNMHVXTSR-CQSZACIVSA-N 1 0 311.451 2.444 50 0 DEAARO O=C(NC1CCCCC1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581788149 784776792 /nfs/dbraw/zinc/77/67/92/784776792.db2.gz VFCKWEUKSKSTOD-INIZCTEOSA-N 1 0 323.481 2.463 50 0 DEAARO CC(C)C[N@H+](C1CN(C(=O)C2CCC2)C1)C1CCN(C)CC1 ZINC000581799740 784778557 /nfs/dbraw/zinc/77/85/57/784778557.db2.gz RXNACGFBWPKQKO-UHFFFAOYSA-N 1 0 307.482 2.050 50 0 DEAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)CCOC)CCO2 ZINC000581819934 784789088 /nfs/dbraw/zinc/78/90/88/784789088.db2.gz NAOFTEIMPIKJLI-UHFFFAOYSA-N 1 0 320.433 2.286 50 0 DEAARO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC[C@H](OC)CC1 ZINC000952847794 792776567 /nfs/dbraw/zinc/77/65/67/792776567.db2.gz DBWBPWCTWYSEQC-RDJZCZTQSA-N 1 0 319.449 2.459 50 0 DEAARO O=C(NC[C@H]1CCCN(c2cc[nH+]cc2)C1)c1cscn1 ZINC000952986319 792866522 /nfs/dbraw/zinc/86/65/22/792866522.db2.gz FIBZVFKCCLVRNQ-GFCCVEGCSA-N 1 0 302.403 2.185 50 0 DEAARO COCCn1ccnc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000216048083 799259769 /nfs/dbraw/zinc/25/97/69/799259769.db2.gz LRFNXCNSOMZISY-KRWDZBQOSA-N 1 0 320.481 2.370 50 0 DEAARO O=C(C[NH2+]C1CC1)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1 ZINC001529194630 1070910792 /nfs/dbraw/zinc/91/07/92/1070910792.db2.gz BBMZUXXIOBKGNF-DLBZAZTESA-N 1 0 300.402 2.117 50 0 DEAARO O=C(c1cccnc1)N1CCC([NH2+]CCCn2cccc2)CC1 ZINC001506397723 1061934392 /nfs/dbraw/zinc/93/43/92/1061934392.db2.gz WNBURWSVBHEPDI-UHFFFAOYSA-N 1 0 312.417 2.168 50 0 DEAARO CSCCN1CCC([NH2+][C@@H](C)Cn2nc(C)cc2C)CC1 ZINC001506399969 1061938259 /nfs/dbraw/zinc/93/82/59/1061938259.db2.gz GJQQVHOBCBICSM-AWEZNQCLSA-N 1 0 310.511 2.305 50 0 DEAARO Cn1ccnc1CC[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC001506399098 1061939871 /nfs/dbraw/zinc/93/98/71/1061939871.db2.gz JWBXMIAPISRDMR-INIZCTEOSA-N 1 0 300.406 2.039 50 0 DEAARO C[N@@H+]1CCN(c2ccnc3c(F)cc(F)cc23)C[C@H]1CCO ZINC001506403382 1061943362 /nfs/dbraw/zinc/94/33/62/1061943362.db2.gz AEXBJJDPPHFOIN-GFCCVEGCSA-N 1 0 307.344 2.016 50 0 DEAARO C[C@H](CN(C)CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001506415030 1061956778 /nfs/dbraw/zinc/95/67/78/1061956778.db2.gz UBSXGQXLAPTTGR-SNVBAGLBSA-N 1 0 308.319 2.247 50 0 DEAARO CC(C)CCOc1cccc(CCNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000821158163 1090578282 /nfs/dbraw/zinc/57/82/82/1090578282.db2.gz DHOZASNJYBSDID-INIZCTEOSA-N 1 0 319.449 2.397 50 0 DEAARO Cc1nn(C[C@@H](C)[NH2+]C2(C(N)=O)CCCCC2)c(C)c1Cl ZINC000821826795 1090613007 /nfs/dbraw/zinc/61/30/07/1090613007.db2.gz GYGSASGIVSGLBL-SNVBAGLBSA-N 1 0 312.845 2.320 50 0 DEAARO CCC[C@H]([NH3+])C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000822995693 1090657755 /nfs/dbraw/zinc/65/77/55/1090657755.db2.gz HZQNLDGQKCPECG-HNNXBMFYSA-N 1 0 312.373 2.400 50 0 DEAARO CCCc1cncnc1N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000095505686 185375243 /nfs/dbraw/zinc/37/52/43/185375243.db2.gz BLBSRDDVUQHGDI-OAHLLOKOSA-N 1 0 306.479 2.493 50 0 DEAARO Cc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)no1 ZINC000095511394 185376128 /nfs/dbraw/zinc/37/61/28/185376128.db2.gz GSVIHNAOIYUYRF-DOTOQJQBSA-N 1 0 313.401 2.461 50 0 DEAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCOc2ccccc2C1 ZINC000095518231 185376762 /nfs/dbraw/zinc/37/67/62/185376762.db2.gz XMBIYRGRIORDDD-INIZCTEOSA-N 1 0 302.418 2.230 50 0 DEAARO Cc1cc(C)nc(N2CCC([NH2+]CCCc3ncc[nH]3)CC2)n1 ZINC000095520191 185377042 /nfs/dbraw/zinc/37/70/42/185377042.db2.gz WKQCLSMKQRCYAV-UHFFFAOYSA-N 1 0 314.437 2.008 50 0 DEAARO Cc1noc(CC2CCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2)n1 ZINC000095527061 185377975 /nfs/dbraw/zinc/37/79/75/185377975.db2.gz LJBCTASJJWTSOV-HNNXBMFYSA-N 1 0 320.437 2.034 50 0 DEAARO CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000078951814 185134578 /nfs/dbraw/zinc/13/45/78/185134578.db2.gz XHTCQYWVNMSCOA-DHSIGJKJSA-N 1 0 323.481 2.316 50 0 DEAARO O=C(CCc1ccncc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000079050253 185149008 /nfs/dbraw/zinc/14/90/08/185149008.db2.gz HYLKYKIOJWZSTR-UHFFFAOYSA-N 1 0 301.434 2.349 50 0 DEAARO CC(C)OC[C@H](O)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000096967990 185393999 /nfs/dbraw/zinc/39/39/99/185393999.db2.gz RACJWOLYXFXWFL-CQSZACIVSA-N 1 0 301.814 2.437 50 0 DEAARO Cc1cccc(C)c1OC1CN(C(=O)C[NH+]2CCCCC2)C1 ZINC000082097865 192354471 /nfs/dbraw/zinc/35/44/71/192354471.db2.gz IUAYPVRAXJKMMI-UHFFFAOYSA-N 1 0 302.418 2.379 50 0 DEAARO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000090468345 185297896 /nfs/dbraw/zinc/29/78/96/185297896.db2.gz NLTIIIHQYDKNRH-WCBMZHEXSA-N 1 0 307.337 2.332 50 0 DEAARO Cc1ccccc1OCC(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699940 185310411 /nfs/dbraw/zinc/31/04/11/185310411.db2.gz ADDOGRTUGMNHOW-HNNXBMFYSA-N 1 0 322.474 2.270 50 0 DEAARO Cc1cc(-c2nn(C)c(Cl)c2CN2CCCC[C@@H]([NH3+])C2)no1 ZINC000082100006 192357124 /nfs/dbraw/zinc/35/71/24/192357124.db2.gz RWNPKFCBLLJJGW-LLVKDONJSA-N 1 0 323.828 2.350 50 0 DEAARO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000002943325 190617235 /nfs/dbraw/zinc/61/72/35/190617235.db2.gz IICGUBQOPAPTSY-UHFFFAOYSA-N 1 0 303.406 2.051 50 0 DEAARO O=C1CCCN1CC[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082134932 192360236 /nfs/dbraw/zinc/36/02/36/192360236.db2.gz XCXDSWFDDDVQCM-INIZCTEOSA-N 1 0 316.449 2.095 50 0 DEAARO COc1ccccc1OC1CN(C(=O)[C@@H](C)C[NH+]2CCCC2)C1 ZINC000082133805 192360548 /nfs/dbraw/zinc/36/05/48/192360548.db2.gz YEMACWHEIVQFKG-AWEZNQCLSA-N 1 0 318.417 2.017 50 0 DEAARO C[C@@H](CCn1cncn1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095408390 185356745 /nfs/dbraw/zinc/35/67/45/185356745.db2.gz PZQQZARXLPVEFS-ZDUSSCGKSA-N 1 0 302.378 2.008 50 0 DEAARO CCc1nncn1CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000095423453 185361115 /nfs/dbraw/zinc/36/11/15/185361115.db2.gz LGPWPRIPUWTALA-AWEZNQCLSA-N 1 0 315.421 2.156 50 0 DEAARO C[N@H+](CC(=O)NC[C@H]1CCOc2ccccc21)[C@@H]1CCSC1 ZINC000095449549 185368748 /nfs/dbraw/zinc/36/87/48/185368748.db2.gz YTCKKLZVFPMMKY-ZIAGYGMSSA-N 1 0 320.458 2.106 50 0 DEAARO OC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCOCC1 ZINC000095437367 185365338 /nfs/dbraw/zinc/36/53/38/185365338.db2.gz FBYJFJYMDGLYDT-UHFFFAOYSA-N 1 0 305.296 2.058 50 0 DEAARO Fc1cc(F)c(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1F ZINC000097037639 282961295 /nfs/dbraw/zinc/96/12/95/282961295.db2.gz KVDOPPSEPUKBRV-NSHDSACASA-N 1 0 317.307 2.116 50 0 DEAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)C1CC[NH+](C)CC1 ZINC000083003670 539387196 /nfs/dbraw/zinc/38/71/96/539387196.db2.gz HWOFGHJQJIVAGK-AWEZNQCLSA-N 1 0 301.434 2.195 50 0 DEAARO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)n1 ZINC000084714682 539397987 /nfs/dbraw/zinc/39/79/87/539397987.db2.gz HJAXOMUPYQDMHH-MBNYWOFBSA-N 1 0 320.437 2.491 50 0 DEAARO OCC1CC[NH+](Cc2ccccc2NCc2c[nH]cn2)CC1 ZINC000086257961 539403426 /nfs/dbraw/zinc/40/34/26/539403426.db2.gz COSMQTNXMIVJJL-UHFFFAOYSA-N 1 0 300.406 2.226 50 0 DEAARO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920184 539418395 /nfs/dbraw/zinc/41/83/95/539418395.db2.gz OTPCGYKZJBVXLU-CYBMUJFWSA-N 1 0 300.406 2.044 50 0 DEAARO CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000096419270 539434288 /nfs/dbraw/zinc/43/42/88/539434288.db2.gz WLMXEIHFSLRBKP-OLZOCXBDSA-N 1 0 308.447 2.386 50 0 DEAARO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104026044 539437629 /nfs/dbraw/zinc/43/76/29/539437629.db2.gz LPKRZLVDIHWHMX-OUAUKWLOSA-N 1 0 309.435 2.152 50 0 DEAARO O=c1[nH]c2cc3c(cc2cc1CN1CC[N@@H+]2CCC[C@@H]2C1)CCC3 ZINC000067643484 190712140 /nfs/dbraw/zinc/71/21/40/190712140.db2.gz JRCIKEUEFNYDNB-GOSISDBHSA-N 1 0 323.440 2.297 50 0 DEAARO C[C@@H](C[NH3+])CNC(=O)Cc1ccc(Cl)cc1Br ZINC000170051261 539614376 /nfs/dbraw/zinc/61/43/76/539614376.db2.gz LPGRWKVRGVZHLE-QMMMGPOBSA-N 1 0 319.630 2.356 50 0 DEAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)C1 ZINC000255067807 282612770 /nfs/dbraw/zinc/61/27/70/282612770.db2.gz MJXFEEOPEZSPKT-GZTOBOFZSA-N 1 0 300.280 2.158 50 0 DEAARO C[C@@H]1CN(C(=O)C2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000221935543 539728608 /nfs/dbraw/zinc/72/86/08/539728608.db2.gz NTIDHYKCFCTRII-HLLBOEOZSA-N 1 0 322.449 2.027 50 0 DEAARO CCc1nccn1CC(=O)N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000071746151 191019608 /nfs/dbraw/zinc/01/96/08/191019608.db2.gz RLHLENWLDMZAOV-HNNXBMFYSA-N 1 0 318.465 2.168 50 0 DEAARO Fc1ccc(F)c2c1CCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072128832 191043944 /nfs/dbraw/zinc/04/39/44/191043944.db2.gz KBPBXGIODOQFLJ-UHFFFAOYSA-N 1 0 318.371 2.213 50 0 DEAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccc4nsnc4c3)CC2)O1 ZINC000072144520 191051050 /nfs/dbraw/zinc/05/10/50/191051050.db2.gz QLNAMILWAGESGW-OAHLLOKOSA-N 1 0 318.402 2.156 50 0 DEAARO C[NH+](C)CCNc1cc(-c2ccccc2C(N)=O)c2cc[nH]c2n1 ZINC000072152793 191057878 /nfs/dbraw/zinc/05/78/78/191057878.db2.gz FSKKYTCLRDROIK-UHFFFAOYSA-N 1 0 323.400 2.302 50 0 DEAARO O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150692131 186057211 /nfs/dbraw/zinc/05/72/11/186057211.db2.gz HJKXYMPLTAXZFC-KCJUWKMLSA-N 1 0 323.805 2.125 50 0 DEAARO Cc1ccc(CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000072278356 191099723 /nfs/dbraw/zinc/09/97/23/191099723.db2.gz SVMOHXQGBVXYJF-KRWDZBQOSA-N 1 0 304.434 2.107 50 0 DEAARO CC[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CC[N@@H+]1C[C@@H](C)O ZINC000072279760 191101191 /nfs/dbraw/zinc/10/11/91/191101191.db2.gz HMLHAQFNJFKBLS-ZIAGYGMSSA-N 1 0 309.454 2.249 50 0 DEAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ncnn1C ZINC000189957692 186255086 /nfs/dbraw/zinc/25/50/86/186255086.db2.gz LZCWFFRJIOTZRU-GJZGRUSLSA-N 1 0 313.449 2.061 50 0 DEAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nn1-c1ccccc1 ZINC000237447272 186290692 /nfs/dbraw/zinc/29/06/92/186290692.db2.gz RHBHERLYGLHXKE-GJZGRUSLSA-N 1 0 312.417 2.380 50 0 DEAARO COc1ccc(COC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000000064502 180682066 /nfs/dbraw/zinc/68/20/66/180682066.db2.gz OOYVJBXDOVKDRW-OAHLLOKOSA-N 1 0 309.406 2.067 50 0 DEAARO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)c(-c2ccccc2)n1 ZINC000072438357 191168025 /nfs/dbraw/zinc/16/80/25/191168025.db2.gz BKNQCGIBJNLJQK-DOTOQJQBSA-N 1 0 324.428 2.140 50 0 DEAARO Fc1ccccc1-c1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)n2nccc2n1 ZINC000072458227 191173183 /nfs/dbraw/zinc/17/31/83/191173183.db2.gz PXFUVAURJBCSEN-BETUJISGSA-N 1 0 323.375 2.191 50 0 DEAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2CCCn2cnnn2)cc1 ZINC000072463524 191173825 /nfs/dbraw/zinc/17/38/25/191173825.db2.gz WSBUGWSLIVOYMQ-MRXNPFEDSA-N 1 0 315.421 2.256 50 0 DEAARO CC(C)n1c2ccccc2nc1CN1CC[C@](O)(C[NH+](C)C)C1 ZINC000072477653 191179577 /nfs/dbraw/zinc/17/95/77/191179577.db2.gz LZLDCSMKXAJOHY-SFHVURJKSA-N 1 0 316.449 2.116 50 0 DEAARO Cc1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000003305620 181002685 /nfs/dbraw/zinc/00/26/85/181002685.db2.gz UMBGUBWLIWLODA-MRXNPFEDSA-N 1 0 301.386 2.403 50 0 DEAARO CCCn1c(C)cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c1C ZINC000003510249 181028282 /nfs/dbraw/zinc/02/82/82/181028282.db2.gz LCZLNBAGBFOEAC-UHFFFAOYSA-N 1 0 319.434 2.444 50 0 DEAARO COc1ccccc1CC[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000336807 353989699 /nfs/dbraw/zinc/98/96/99/353989699.db2.gz CQCAAWDBRXNGTD-MRXNPFEDSA-N 1 0 324.380 2.159 50 0 DEAARO CCOC(=O)c1c(C)n(C[C@@H](O)C[NH2+]C(C)C)c2ccccc21 ZINC000016675668 354039793 /nfs/dbraw/zinc/03/97/93/354039793.db2.gz USTLSJVZNLSBIT-AWEZNQCLSA-N 1 0 318.417 2.485 50 0 DEAARO CC[NH+](CC)CCNC(=O)C(=O)c1c(C)n(C)c2ccccc21 ZINC000004062494 181068524 /nfs/dbraw/zinc/06/85/24/181068524.db2.gz BYIFTSSFLBNHHX-UHFFFAOYSA-N 1 0 315.417 2.127 50 0 DEAARO CC[NH+](CC)CCNC(=O)C1(c2cccs2)CCOCC1 ZINC000004478919 181113005 /nfs/dbraw/zinc/11/30/05/181113005.db2.gz GMPVVAIHOSLPHV-UHFFFAOYSA-N 1 0 310.463 2.254 50 0 DEAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000072298394 354901107 /nfs/dbraw/zinc/90/11/07/354901107.db2.gz KRHXPXDVGAZKHH-INIZCTEOSA-N 1 0 312.417 2.430 50 0 DEAARO O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cncc(F)c1 ZINC000618256292 363432881 /nfs/dbraw/zinc/43/28/81/363432881.db2.gz GAFHRGCMVIOTQX-AWEZNQCLSA-N 1 0 305.378 2.287 50 0 DEAARO O=C(Cc1cccnc1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618257596 363433187 /nfs/dbraw/zinc/43/31/87/363433187.db2.gz YVLJENXSXYWKCF-HNNXBMFYSA-N 1 0 301.415 2.076 50 0 DEAARO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C12CCC2 ZINC000073716741 354977644 /nfs/dbraw/zinc/97/76/44/354977644.db2.gz KFJCWWNNLHEYQS-CWRNSKLLSA-N 1 0 321.465 2.118 50 0 DEAARO CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@H]2c2cccnc2)CC1 ZINC000076041659 355120588 /nfs/dbraw/zinc/12/05/88/355120588.db2.gz ABNXGBJVRDUKIX-IRXDYDNUSA-N 1 0 301.434 2.423 50 0 DEAARO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000075606199 355095723 /nfs/dbraw/zinc/09/57/23/355095723.db2.gz VWIBHNDSNJNHNS-CVEARBPZSA-N 1 0 322.836 2.320 50 0 DEAARO COC(=O)CC1(NC(=O)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000079013346 355291414 /nfs/dbraw/zinc/29/14/14/355291414.db2.gz HWDLEAWYBZINRK-UHFFFAOYSA-N 1 0 324.808 2.097 50 0 DEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000004990188 181185997 /nfs/dbraw/zinc/18/59/97/181185997.db2.gz ZNHXBYXEYYPDMR-OAHLLOKOSA-N 1 0 304.390 2.420 50 0 DEAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000078898510 355284269 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CNC(=O)N1CCC([C@H]2CC[N@@H+](C3CCSCC3)C2)CC1 ZINC000169781648 355982747 /nfs/dbraw/zinc/98/27/47/355982747.db2.gz OHSGDTGTXAQIFL-AWEZNQCLSA-N 1 0 311.495 2.255 50 0 DEAARO OCC1([NH2+]Cc2ccc(F)cc2OC(F)(F)F)CCOCC1 ZINC000170591974 355986864 /nfs/dbraw/zinc/98/68/64/355986864.db2.gz DYNCGBZBYTUWKZ-UHFFFAOYSA-N 1 0 323.286 2.355 50 0 DEAARO [NH3+]CCC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000155701654 355948743 /nfs/dbraw/zinc/94/87/43/355948743.db2.gz VEIPVNJGFIOXGQ-CYBMUJFWSA-N 1 0 311.223 2.331 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000161770223 355969556 /nfs/dbraw/zinc/96/95/56/355969556.db2.gz MSNNMQMAMKQCKC-JCYILVPMSA-N 1 0 324.465 2.489 50 0 DEAARO CC(=O)NC1CCC([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000161770094 355969942 /nfs/dbraw/zinc/96/99/42/355969942.db2.gz MSNNMQMAMKQCKC-OFLPRAFFSA-N 1 0 324.465 2.489 50 0 DEAARO C[C@@H](CCc1ccc(F)c(F)c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000195549883 356256126 /nfs/dbraw/zinc/25/61/26/356256126.db2.gz PTYOBJMEODWSRL-AAEUAGOBSA-N 1 0 317.401 2.453 50 0 DEAARO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCCO3)C2)c1 ZINC000081571093 192294833 /nfs/dbraw/zinc/29/48/33/192294833.db2.gz YLGIAIXDRWULOF-ZBFHGGJFSA-N 1 0 320.433 2.393 50 0 DEAARO CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237017335 202123495 /nfs/dbraw/zinc/12/34/95/202123495.db2.gz JKYQUUIPCNGNCC-RRFJBIMHSA-N 1 0 318.417 2.192 50 0 DEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000237071650 202143063 /nfs/dbraw/zinc/14/30/63/202143063.db2.gz BQSSJCVWWGPCQX-CQSZACIVSA-N 1 0 319.424 2.498 50 0 DEAARO CN(C(=O)Cc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000237083570 202149149 /nfs/dbraw/zinc/14/91/49/202149149.db2.gz KAICTTIEONTPDS-UHFFFAOYSA-N 1 0 300.324 2.458 50 0 DEAARO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(Br)s1 ZINC000397955508 356719647 /nfs/dbraw/zinc/71/96/47/356719647.db2.gz DZGCBCUWZASMPD-HTQZYQBOSA-N 1 0 303.225 2.366 50 0 DEAARO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 ZINC000237180172 202178106 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C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000237271165 202212931 /nfs/dbraw/zinc/21/29/31/202212931.db2.gz SIKGLZWEBTXOHJ-CQSZACIVSA-N 1 0 318.808 2.350 50 0 DEAARO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC[NH2+]1 ZINC000188382762 200237117 /nfs/dbraw/zinc/23/71/17/200237117.db2.gz CTBXBKMPYKHYHH-SNVBAGLBSA-N 1 0 304.781 2.164 50 0 DEAARO C[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[NH2+]1 ZINC000188477678 200253945 /nfs/dbraw/zinc/25/39/45/200253945.db2.gz MVZJCJSFBJXXMK-LLVKDONJSA-N 1 0 311.223 2.202 50 0 DEAARO Cn1cncc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000237930468 202395063 /nfs/dbraw/zinc/39/50/63/202395063.db2.gz LJGDZYHMZRIUDW-UHFFFAOYSA-N 1 0 307.781 2.177 50 0 DEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000237907551 202388450 /nfs/dbraw/zinc/38/84/50/202388450.db2.gz CNPXDDUNDUXBJQ-JKSUJKDBSA-N 1 0 306.381 2.323 50 0 DEAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000238009386 202418501 /nfs/dbraw/zinc/41/85/01/202418501.db2.gz MOHNWBYUDMGKDF-OCCSQVGLSA-N 1 0 323.387 2.131 50 0 DEAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCC(O)(c3ccccn3)CC2)n1 ZINC000670455891 540936143 /nfs/dbraw/zinc/93/61/43/540936143.db2.gz PYZHXLADIWSTPM-INIZCTEOSA-N 1 0 314.433 2.267 50 0 DEAARO C[C@H](C[NH+]1CCCC1)C(=O)NCCc1nc2ccccc2o1 ZINC000670455699 540936427 /nfs/dbraw/zinc/93/64/27/540936427.db2.gz RMYZOMBFHUMKNX-CYBMUJFWSA-N 1 0 301.390 2.218 50 0 DEAARO Fc1cccc(OC[C@@H]2CCC[N@H+](CCn3cnnc3)C2)c1 ZINC000670462269 540937595 /nfs/dbraw/zinc/93/75/95/540937595.db2.gz HUVVZJDHMAJZKR-CQSZACIVSA-N 1 0 304.369 2.208 50 0 DEAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC000670470253 540938478 /nfs/dbraw/zinc/93/84/78/540938478.db2.gz AFCNGKPSKAHYLF-LLVKDONJSA-N 1 0 316.854 2.490 50 0 DEAARO O=C(N1CCCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091351196 193045479 /nfs/dbraw/zinc/04/54/79/193045479.db2.gz HGADSTASWJGVDK-NVXWUHKLSA-N 1 0 314.433 2.194 50 0 DEAARO C[NH+](C)CCc1noc([C@H]2CCC(=O)N(C3CCCCC3)C2)n1 ZINC000091616960 193079421 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197342904 /nfs/dbraw/zinc/34/29/04/197342904.db2.gz BTGSHDMQSPXSAU-DOTOQJQBSA-N 1 0 320.408 2.097 50 0 DEAARO CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158563857 197284075 /nfs/dbraw/zinc/28/40/75/197284075.db2.gz IJBBXEXWAYUIOC-SWLSCSKDSA-N 1 0 312.360 2.318 50 0 DEAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2CC(N)=O)C1 ZINC000065451141 285232189 /nfs/dbraw/zinc/23/21/89/285232189.db2.gz HQAGRLMHQIZEGT-OAHLLOKOSA-N 1 0 312.417 2.235 50 0 DEAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2CC(N)=O)C1 ZINC000065451139 285269809 /nfs/dbraw/zinc/26/98/09/285269809.db2.gz HQAGRLMHQIZEGT-HNNXBMFYSA-N 1 0 312.417 2.235 50 0 DEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000237407582 257239544 /nfs/dbraw/zinc/23/95/44/257239544.db2.gz UVCWSZCUYVEOJJ-JWLFTQPQSA-N 1 0 310.401 2.224 50 0 DEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000334160487 257262468 /nfs/dbraw/zinc/26/24/68/257262468.db2.gz FVBNVOMBGIVTTP-BBRMVZONSA-N 1 0 316.449 2.235 50 0 DEAARO COc1ccc(C(=O)N(C)Cc2ccoc2)cc1OCCC[NH3+] ZINC000299789593 533282743 /nfs/dbraw/zinc/28/27/43/533282743.db2.gz XUWZIVUJHHCHES-UHFFFAOYSA-N 1 0 318.373 2.288 50 0 DEAARO Cc1cc2n(n1)C[C@H](C[NH2+]CC1(N(C)C)CCCCC1)CN2 ZINC000065621292 292022100 /nfs/dbraw/zinc/02/21/00/292022100.db2.gz OEGCPRYCJSUSEB-OAHLLOKOSA-N 1 0 305.470 2.087 50 0 DEAARO CCc1onc(C)c1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262386120 145280560 /nfs/dbraw/zinc/28/05/60/145280560.db2.gz NNYZCDYSMOZETJ-CABCVRRESA-N 1 0 313.401 2.360 50 0 DEAARO C[N@H+](CCO)CCOCCOc1cc(Cl)ccc1Cl ZINC000002981081 401720903 /nfs/dbraw/zinc/72/09/03/401720903.db2.gz XHRCBODYAOPLKJ-UHFFFAOYSA-N 1 0 308.205 2.313 50 0 DEAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000003257037 401723520 /nfs/dbraw/zinc/72/35/20/401723520.db2.gz BKSAJLQCKGQEDP-UHFFFAOYSA-N 1 0 302.374 2.111 50 0 DEAARO CC[NH+](CC)CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000003396078 401724318 /nfs/dbraw/zinc/72/43/18/401724318.db2.gz VLPBXPNLXYJRHU-UHFFFAOYSA-N 1 0 308.806 2.099 50 0 DEAARO CCC[NH+]1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000008130580 401748869 /nfs/dbraw/zinc/74/88/69/401748869.db2.gz ZLMJMTHHZUOVLM-UHFFFAOYSA-N 1 0 306.406 2.308 50 0 DEAARO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](O)C1 ZINC000006941037 401734690 /nfs/dbraw/zinc/73/46/90/401734690.db2.gz YPHSGVJIEGYQJL-QWRGUYRKSA-N 1 0 320.216 2.190 50 0 DEAARO O=C(C[C@@H]1CC[NH2+]C1)NCCc1ccc(C(F)(F)F)cc1 ZINC000127761726 401749082 /nfs/dbraw/zinc/74/90/82/401749082.db2.gz YMZRQXJPGBKYRO-LBPRGKRZSA-N 1 0 300.324 2.364 50 0 DEAARO O=C(CC[NH+]1CCCCC1)NC[C@@H]1OCCc2ccccc21 ZINC000000108691 401688091 /nfs/dbraw/zinc/68/80/91/401688091.db2.gz QJPKKCKDEGBHGX-KRWDZBQOSA-N 1 0 302.418 2.293 50 0 DEAARO O=C(CSC1=[NH+]CCN1)Nc1cccc(C(F)(F)F)c1 ZINC000000141834 401688480 /nfs/dbraw/zinc/68/84/80/401688480.db2.gz GSRUSEGVJQGBQN-UHFFFAOYSA-N 1 0 303.309 2.336 50 0 DEAARO CCc1nc(CN2CCC[C@@H]([N@H+](C)C[C@@H]3CCCCO3)C2)no1 ZINC000071882286 401691762 /nfs/dbraw/zinc/69/17/62/401691762.db2.gz 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401714680 /nfs/dbraw/zinc/71/46/80/401714680.db2.gz PKCTTWMNJLLFPA-ZDUSSCGKSA-N 1 0 320.389 2.094 50 0 DEAARO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000002734514 401717210 /nfs/dbraw/zinc/71/72/10/401717210.db2.gz YOYJLQANNRMGCG-UHFFFAOYSA-N 1 0 308.447 2.244 50 0 DEAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000013148894 401797293 /nfs/dbraw/zinc/79/72/93/401797293.db2.gz DZEIYOXEWBWDRQ-IAGOWNOFSA-N 1 0 321.461 2.489 50 0 DEAARO Cc1nc(C)c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)s1 ZINC000077344173 401811410 /nfs/dbraw/zinc/81/14/10/401811410.db2.gz DDMFZIZOWCFAAX-UHFFFAOYSA-N 1 0 316.430 2.039 50 0 DEAARO C[N@H+](C[C@@H](c1cccs1)N1CCOCC1)C[C@@H]1CCOC1 ZINC000075603803 401764329 /nfs/dbraw/zinc/76/43/29/401764329.db2.gz KOENWAFJYQYRER-GJZGRUSLSA-N 1 0 310.463 2.090 50 0 DEAARO COc1ccccc1OCC(=O)NCCC[NH+]1CCCCC1 ZINC000010276907 401769431 /nfs/dbraw/zinc/76/94/31/401769431.db2.gz LIIOVVSFIIWHFN-UHFFFAOYSA-N 1 0 306.406 2.066 50 0 DEAARO Cc1nc(CN(C)[C@@H]2CC[N@H+](CCc3cccs3)C2)no1 ZINC000076047330 401778649 /nfs/dbraw/zinc/77/86/49/401778649.db2.gz SPDUCIBGVPFHHA-CYBMUJFWSA-N 1 0 306.435 2.188 50 0 DEAARO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000076087218 401781933 /nfs/dbraw/zinc/78/19/33/401781933.db2.gz MNTOMNNAOXVXSW-HNNXBMFYSA-N 1 0 307.442 2.090 50 0 DEAARO CCn1nc(C)c(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1C ZINC000077337461 401810814 /nfs/dbraw/zinc/81/08/14/401810814.db2.gz CKPMIEDUAANNHJ-INIZCTEOSA-N 1 0 321.465 2.380 50 0 DEAARO COc1cc2c(cc1C[NH2+]C1CCN(C(C)=O)CC1)O[C@@H](C)C2 ZINC000012796180 401791648 /nfs/dbraw/zinc/79/16/48/401791648.db2.gz LOXSJYCESSYPCT-LBPRGKRZSA-N 1 0 318.417 2.119 50 0 DEAARO O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000131136767 401844408 /nfs/dbraw/zinc/84/44/08/401844408.db2.gz RIJZCGSBAOINOK-CMPLNLGQSA-N 1 0 300.280 2.019 50 0 DEAARO C[C@H](CNc1cncc(Br)c1)C[NH+]1CCOCC1 ZINC000078295348 401845804 /nfs/dbraw/zinc/84/58/04/401845804.db2.gz XNAJSSCBONUHTC-LLVKDONJSA-N 1 0 314.227 2.224 50 0 DEAARO C[C@H](OCc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000030687932 401865274 /nfs/dbraw/zinc/86/52/74/401865274.db2.gz UTXIDHXEEUTXHZ-AWEZNQCLSA-N 1 0 302.418 2.335 50 0 DEAARO COc1ccc(C[NH2+]Cc2ccnc(N(C)C)c2)cc1OC ZINC000030903122 401866613 /nfs/dbraw/zinc/86/66/13/401866613.db2.gz YTOBAVCGBJFBSI-UHFFFAOYSA-N 1 0 301.390 2.455 50 0 DEAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014538611 401812077 /nfs/dbraw/zinc/81/20/77/401812077.db2.gz HBVSBRFWLNJSHZ-CQSZACIVSA-N 1 0 305.422 2.091 50 0 DEAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000014743870 401813374 /nfs/dbraw/zinc/81/33/74/401813374.db2.gz WCHSBZPMJPNKID-AWEZNQCLSA-N 1 0 318.465 2.245 50 0 DEAARO O=C1N(C[C@H]2CCCCO2)c2ccccc2NC12CC[NH2+]CC2 ZINC000077394523 401814122 /nfs/dbraw/zinc/81/41/22/401814122.db2.gz PDBRWQSCNAUIRJ-CQSZACIVSA-N 1 0 315.417 2.136 50 0 DEAARO CC[C@H]1CN(C(=O)c2ccc(N(C)CC)nc2)CC[N@@H+]1C(C)C ZINC000015067043 401816025 /nfs/dbraw/zinc/81/60/25/401816025.db2.gz IFFRGDQDJUJPIT-INIZCTEOSA-N 1 0 318.465 2.483 50 0 DEAARO COc1ccc(-c2nc3ccc(NC(=O)C[NH3+])cn3c2C)cc1 ZINC000031958871 401875444 /nfs/dbraw/zinc/87/54/44/401875444.db2.gz VVOYIWHMFXANSR-UHFFFAOYSA-N 1 0 310.357 2.216 50 0 DEAARO Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)n2ncnc2n1 ZINC000032717212 401881614 /nfs/dbraw/zinc/88/16/14/401881614.db2.gz UJHLQLVFBJNEOM-OAHLLOKOSA-N 1 0 310.405 2.018 50 0 DEAARO CC[C@@H](CNC(=O)[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000032817237 401883473 /nfs/dbraw/zinc/88/34/73/401883473.db2.gz YXJQMONNZFKGNR-IRXDYDNUSA-N 1 0 302.418 2.119 50 0 DEAARO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000032922976 401886516 /nfs/dbraw/zinc/88/65/16/401886516.db2.gz YBEFRZPFLRONRC-LBPRGKRZSA-N 1 0 317.437 2.045 50 0 DEAARO CN(C(=O)c1ccc(F)cc1Br)C1CC[NH2+]CC1 ZINC000036282903 401903711 /nfs/dbraw/zinc/90/37/11/401903711.db2.gz FBYZIVQWLNAICD-UHFFFAOYSA-N 1 0 315.186 2.412 50 0 DEAARO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000036297590 401904423 /nfs/dbraw/zinc/90/44/23/401904423.db2.gz FNPYSLCVXXGSRT-OAHLLOKOSA-N 1 0 304.415 2.282 50 0 DEAARO CC(C)C1CCC([NH+]2CCN(CCn3cncn3)CC2)CC1 ZINC000084680440 401909325 /nfs/dbraw/zinc/90/93/25/401909325.db2.gz MNGOXBJRZIDZOI-UHFFFAOYSA-N 1 0 305.470 2.111 50 0 DEAARO C[NH2+]C1CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000084748031 401909910 /nfs/dbraw/zinc/90/99/10/401909910.db2.gz DBLQQDZICPSACR-UHFFFAOYSA-N 1 0 311.223 2.202 50 0 DEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000085468104 401916658 /nfs/dbraw/zinc/91/66/58/401916658.db2.gz ANWKGKXDMDSXKG-INIZCTEOSA-N 1 0 321.509 2.441 50 0 DEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)C2CCCC2)CC1 ZINC000085468083 401916684 /nfs/dbraw/zinc/91/66/84/401916684.db2.gz DLCVEUDWQTWGNA-HNNXBMFYSA-N 1 0 307.482 2.051 50 0 DEAARO C[C@@H](O)C[NH2+]CCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000038246118 401922880 /nfs/dbraw/zinc/92/28/80/401922880.db2.gz RAFNFWJWBDXRDD-KGLIPLIRSA-N 1 0 318.417 2.060 50 0 DEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@](C)(O)c2ccco2)C1 ZINC000089661874 401956403 /nfs/dbraw/zinc/95/64/03/401956403.db2.gz RTYQEGOOHRHHTM-LRDDRELGSA-N 1 0 310.394 2.086 50 0 DEAARO O=C(NCCc1cccnc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000089793959 401964512 /nfs/dbraw/zinc/96/45/12/401964512.db2.gz YXXYSVWRBNHBNE-KRWDZBQOSA-N 1 0 316.449 2.284 50 0 DEAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000089937787 401975229 /nfs/dbraw/zinc/97/52/29/401975229.db2.gz CNFKQGZKSXLETD-HVHJFMEUSA-N 1 0 310.401 2.048 50 0 DEAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc3c(C)cccn23)[C@H](C)C1 ZINC000089941564 401975692 /nfs/dbraw/zinc/97/56/92/401975692.db2.gz RCOCUPYDPDYETD-GDBMZVCRSA-N 1 0 314.433 2.379 50 0 DEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000047459891 401982477 /nfs/dbraw/zinc/98/24/77/401982477.db2.gz HFWNGSDKDBBPIF-UHFFFAOYSA-N 1 0 315.461 2.111 50 0 DEAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000047892615 401990229 /nfs/dbraw/zinc/99/02/29/401990229.db2.gz GBDNYLRXEBGXIQ-SNVBAGLBSA-N 1 0 324.222 2.058 50 0 DEAARO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000089346037 401942886 /nfs/dbraw/zinc/94/28/86/401942886.db2.gz KCDHAEXDXIYATL-UHFFFAOYSA-N 1 0 309.385 2.136 50 0 DEAARO COCCC1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCC1 ZINC000089410104 401945151 /nfs/dbraw/zinc/94/51/51/401945151.db2.gz YLRMZZQLNCGUEZ-UHFFFAOYSA-N 1 0 309.454 2.119 50 0 DEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCO)Cc1ccccc1F ZINC000095354727 402027004 /nfs/dbraw/zinc/02/70/04/402027004.db2.gz WHPYMPCFOSXZMZ-INIZCTEOSA-N 1 0 322.424 2.411 50 0 DEAARO CSc1ncc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)n1C ZINC000095357809 402027237 /nfs/dbraw/zinc/02/72/37/402027237.db2.gz MZLRPUGEBFNRTB-LBPRGKRZSA-N 1 0 310.467 2.023 50 0 DEAARO CN(C)c1nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000095361580 402027713 /nfs/dbraw/zinc/02/77/13/402027713.db2.gz WJVJCCDCAJUUGQ-ZDUSSCGKSA-N 1 0 310.467 2.090 50 0 DEAARO CC(C)Cn1cncc1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000095361602 402027752 /nfs/dbraw/zinc/02/77/52/402027752.db2.gz ZLQJEHCAWQYQTG-UHFFFAOYSA-N 1 0 300.410 2.402 50 0 DEAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCc2[nH]cnc2C1 ZINC000095369671 402029208 /nfs/dbraw/zinc/02/92/08/402029208.db2.gz GSGCCQRAHGUMMW-NSHDSACASA-N 1 0 302.403 2.094 50 0 DEAARO Oc1cccc([C@@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095379071 402030290 /nfs/dbraw/zinc/03/02/90/402030290.db2.gz LZAIALPHNSWFAP-IPMKNSEASA-N 1 0 324.428 2.178 50 0 DEAARO c1nc2nc(-c3ccccc3)cc(N3CC[NH+](C4CC4)CC3)n2n1 ZINC000095381819 402030444 /nfs/dbraw/zinc/03/04/44/402030444.db2.gz XPGBBEDFYVMYMZ-UHFFFAOYSA-N 1 0 320.400 2.076 50 0 DEAARO c1cc(C[N@@H+]2CCCN(c3nnc(C4CCC4)o3)CC2)ccn1 ZINC000095383294 402031113 /nfs/dbraw/zinc/03/11/13/402031113.db2.gz OLGKGHFAPDKXJZ-UHFFFAOYSA-N 1 0 313.405 2.444 50 0 DEAARO C[C@H](CCN1CCCC1=O)[NH2+]Cc1cccc2c1OCCCO2 ZINC000095395129 402031809 /nfs/dbraw/zinc/03/18/09/402031809.db2.gz DYXHSLDBQBDYRD-CQSZACIVSA-N 1 0 318.417 2.339 50 0 DEAARO Cc1nc(NC2CC[NH+](CC3CCCC3)CC2)nc(N(C)C)n1 ZINC000095426144 402032541 /nfs/dbraw/zinc/03/25/41/402032541.db2.gz GBLFVINASVZHMK-UHFFFAOYSA-N 1 0 318.469 2.313 50 0 DEAARO COC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(OC)cc3C2)CC1 ZINC000095973565 402039653 /nfs/dbraw/zinc/03/96/53/402039653.db2.gz MJRVFUVKOCHVIN-MRXNPFEDSA-N 1 0 318.417 2.373 50 0 DEAARO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988208 402043273 /nfs/dbraw/zinc/04/32/73/402043273.db2.gz JFKNJCLWXUNKFM-HUUCEWRRSA-N 1 0 312.454 2.299 50 0 DEAARO CCC[NH+]1CCC(C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000095994301 402044172 /nfs/dbraw/zinc/04/41/72/402044172.db2.gz TZSZQIRCOFYNDU-UHFFFAOYSA-N 1 0 313.405 2.328 50 0 DEAARO C[NH2+][C@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000053202044 402052258 /nfs/dbraw/zinc/05/22/58/402052258.db2.gz HSUSSALJPYIDRQ-ZDUSSCGKSA-N 1 0 311.223 2.202 50 0 DEAARO CCn1ncnc1CN(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000055133707 402076426 /nfs/dbraw/zinc/07/64/26/402076426.db2.gz IADOXBRSHQRKFA-UHFFFAOYSA-N 1 0 307.467 2.232 50 0 DEAARO Cc1ccc(-c2nnc(NC(=O)N[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000055253117 402078122 /nfs/dbraw/zinc/07/81/22/402078122.db2.gz UOFMOMIRHYCFOO-LBPRGKRZSA-N 1 0 317.418 2.387 50 0 DEAARO CCNC(=O)NC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000055329554 402080120 /nfs/dbraw/zinc/08/01/20/402080120.db2.gz SPHONFYLMMUECN-UHFFFAOYSA-N 1 0 309.385 2.118 50 0 DEAARO CC(C)(C)SCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096412727 402080292 /nfs/dbraw/zinc/08/02/92/402080292.db2.gz GLBMRSIZCHREGS-CYBMUJFWSA-N 1 0 314.495 2.135 50 0 DEAARO CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096437217 402086643 /nfs/dbraw/zinc/08/66/43/402086643.db2.gz OULQMMWJXJZMFI-KGLIPLIRSA-N 1 0 318.417 2.066 50 0 DEAARO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000096441425 402087953 /nfs/dbraw/zinc/08/79/53/402087953.db2.gz XSQGXSYUILHSRH-MRXNPFEDSA-N 1 0 301.434 2.339 50 0 DEAARO Cc1[nH]nc2ncc(C(=O)N3CC[NH+](CCC(C)C)CC3)cc12 ZINC000057172470 402092603 /nfs/dbraw/zinc/09/26/03/402092603.db2.gz GVSRIIUQAOHOLN-UHFFFAOYSA-N 1 0 315.421 2.070 50 0 DEAARO FC(F)CN1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000096476349 402093594 /nfs/dbraw/zinc/09/35/94/402093594.db2.gz RPTOKSDVLUPTDF-CYBMUJFWSA-N 1 0 312.360 2.146 50 0 DEAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC000096482581 402093771 /nfs/dbraw/zinc/09/37/71/402093771.db2.gz GRLOBOXOOUPIEQ-QGZVFWFLSA-N 1 0 318.417 2.324 50 0 DEAARO Cc1cnccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000096489260 402095912 /nfs/dbraw/zinc/09/59/12/402095912.db2.gz NKDDEQSHEKQKST-KBPBESRZSA-N 1 0 306.410 2.011 50 0 DEAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 ZINC000057924652 402098541 /nfs/dbraw/zinc/09/85/41/402098541.db2.gz ZGCWRNAAFCGMGK-SJORKVTESA-N 1 0 323.481 2.319 50 0 DEAARO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(O)c3)cn2)CCO1 ZINC000058195539 402098759 /nfs/dbraw/zinc/09/87/59/402098759.db2.gz YFNJMXUFWQSSOP-CQSZACIVSA-N 1 0 313.401 2.302 50 0 DEAARO Cc1cccc2cc(C(=O)NCCCN3CC[NH+](C)CC3)oc21 ZINC000058427327 402100734 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CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccncc2F)CC1 ZINC000097135822 402110340 /nfs/dbraw/zinc/11/03/40/402110340.db2.gz QSIUNTJKAWBNCL-UHFFFAOYSA-N 1 0 324.400 2.232 50 0 DEAARO Cc1cccc(NC[C@@H]2CCN(c3ncnc4c3cnn4C)C2)[nH+]1 ZINC000097201003 402116026 /nfs/dbraw/zinc/11/60/26/402116026.db2.gz IQRMPWPAGCFSLV-ZDUSSCGKSA-N 1 0 323.404 2.005 50 0 DEAARO CC(C)c1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)[nH]n1 ZINC000054265288 402065069 /nfs/dbraw/zinc/06/50/69/402065069.db2.gz CPFIYDKTYVDQHH-UHFFFAOYSA-N 1 0 300.406 2.395 50 0 DEAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000054258390 402065335 /nfs/dbraw/zinc/06/53/35/402065335.db2.gz DZQQYHODDZLKON-UHFFFAOYSA-N 1 0 323.396 2.261 50 0 DEAARO C[C@@H](NC(=O)C1(O)CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000097506126 402126675 /nfs/dbraw/zinc/12/66/75/402126675.db2.gz JFACLPCGOJZCKT-CQSZACIVSA-N 1 0 316.445 2.199 50 0 DEAARO Cc1cc([C@H]2CCC[N@@H+]2CC(C)(C)CN2CCOCC2)on1 ZINC000097797631 402132710 /nfs/dbraw/zinc/13/27/10/402132710.db2.gz LFOFQKOJDHEYPR-OAHLLOKOSA-N 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c1nn2cc(CN3CC[C@H]4C[NH2+]C[C@H]43)cnc2c1-c1ccccc1 ZINC000067697198 402168533 /nfs/dbraw/zinc/16/85/33/402168533.db2.gz QBCUOEAYCAGPBQ-FUHWJXTLSA-N 1 0 319.412 2.190 50 0 DEAARO C[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067697076 402168620 /nfs/dbraw/zinc/16/86/20/402168620.db2.gz HKRXQNWXORARPG-SECBINFHSA-N 1 0 307.300 2.116 50 0 DEAARO C[C@@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153784114 402170551 /nfs/dbraw/zinc/17/05/51/402170551.db2.gz YUGCXBRNISRRMN-GHMZBOCLSA-N 1 0 314.788 2.457 50 0 DEAARO CCSc1nc(CC(=O)NC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000067741136 402171044 /nfs/dbraw/zinc/17/10/44/402171044.db2.gz RUSWGBAFDIHLNH-LLVKDONJSA-N 1 0 313.492 2.256 50 0 DEAARO CCC1=NO[C@@H](C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)C1 ZINC000067742027 402171337 /nfs/dbraw/zinc/17/13/37/402171337.db2.gz WGNUJOTUSCADMW-OAHLLOKOSA-N 1 0 303.406 2.228 50 0 DEAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCC(=O)c1ccccc1 ZINC000067757332 402171718 /nfs/dbraw/zinc/17/17/18/402171718.db2.gz 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CCc1nc2n(n1)C[C@@H]([NH2+]CC1=Cc3ccccc3OC1)CC2 ZINC000069808067 402244731 /nfs/dbraw/zinc/24/47/31/402244731.db2.gz UUPFCBFWTZWMER-HNNXBMFYSA-N 1 0 310.401 2.221 50 0 DEAARO Fc1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc(F)c1F ZINC000069847049 402247901 /nfs/dbraw/zinc/24/79/01/402247901.db2.gz XKSGALNXKMORHQ-LBPRGKRZSA-N 1 0 300.324 2.057 50 0 DEAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069870825 402248524 /nfs/dbraw/zinc/24/85/24/402248524.db2.gz VPUPKCCGBXZREQ-ZDUSSCGKSA-N 1 0 304.369 2.338 50 0 DEAARO COC(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000069897479 402249992 /nfs/dbraw/zinc/24/99/92/402249992.db2.gz RUXRJHWNYUMOKE-MRXNPFEDSA-N 1 0 316.401 2.174 50 0 DEAARO C[NH+](C)C[C@H]1CN(Cc2ccc(Br)s2)CCO1 ZINC000069969765 402253003 /nfs/dbraw/zinc/25/30/03/402253003.db2.gz PKSFDUBGQXVZPF-JTQLQIEISA-N 1 0 319.268 2.273 50 0 DEAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nc(-c3ccco3)oc1C)CC2 ZINC000069969091 402253235 /nfs/dbraw/zinc/25/32/35/402253235.db2.gz QWTMIIGSHWDJRS-LBPRGKRZSA-N 1 0 313.361 2.248 50 0 DEAARO O=C(NCc1ccccc1F)c1ccc2c(c1)C[NH2+]CCO2 ZINC000070463088 402261943 /nfs/dbraw/zinc/26/19/43/402261943.db2.gz BQOCBBPFSCQPBQ-UHFFFAOYSA-N 1 0 300.333 2.238 50 0 DEAARO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000104748235 402204976 /nfs/dbraw/zinc/20/49/76/402204976.db2.gz OIBKSLDWLIZIRD-GFCCVEGCSA-N 1 0 316.854 2.221 50 0 DEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN2CCCCCCC2=O)C1 ZINC000069035059 402211664 /nfs/dbraw/zinc/21/16/64/402211664.db2.gz LWIOZUQELJRLEN-INIZCTEOSA-N 1 0 323.481 2.016 50 0 DEAARO CC[C@@H](C(=O)NCc1ccnc(C)n1)[N@H+](C)Cc1ccccc1 ZINC000225801631 402323956 /nfs/dbraw/zinc/32/39/56/402323956.db2.gz YGPJUFJODLRLTC-KRWDZBQOSA-N 1 0 312.417 2.312 50 0 DEAARO CCc1nccc(CN2CC[NH+](C3CCSCC3)CC2)n1 ZINC000215339878 402283260 /nfs/dbraw/zinc/28/32/60/402283260.db2.gz VMPZPIWEFXQESI-UHFFFAOYSA-N 1 0 306.479 2.052 50 0 DEAARO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCN2C)c1 ZINC000071828220 402284323 /nfs/dbraw/zinc/28/43/23/402284323.db2.gz PTYPNIRYRUOLRL-OAHLLOKOSA-N 1 0 300.406 2.269 50 0 DEAARO C[N@@H+]1CCOC[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000219250332 402297871 /nfs/dbraw/zinc/29/78/71/402297871.db2.gz AZHKVIFUPMDKIF-NSHDSACASA-N 1 0 316.323 2.013 50 0 DEAARO CCO[C@H]1C[N@H+](Cc2ccc(OC)c3ccccc23)C[C@@H]1O ZINC000219841369 402299767 /nfs/dbraw/zinc/29/97/67/402299767.db2.gz OFRNTMFKZRUEHH-WMZOPIPTSA-N 1 0 301.386 2.430 50 0 DEAARO CC1CC[NH+](C[C@H](O)CN2C[C@@H](C)Oc3ccccc32)CC1 ZINC000222061484 402305800 /nfs/dbraw/zinc/30/58/00/402305800.db2.gz JYARJTLHKIBTPM-CVEARBPZSA-N 1 0 304.434 2.367 50 0 DEAARO O=C(C[NH+]1CCCCCCC1)N1CCC(Cn2ccnc2)CC1 ZINC000222295296 402306831 /nfs/dbraw/zinc/30/68/31/402306831.db2.gz OTEIYRUWPRHGQN-UHFFFAOYSA-N 1 0 318.465 2.388 50 0 DEAARO OCC1(C[NH+]2CCCC2)CCN(Cc2cnccc2Cl)CC1 ZINC000222525872 402307393 /nfs/dbraw/zinc/30/73/93/402307393.db2.gz IBLPASUXGBJGFN-UHFFFAOYSA-N 1 0 323.868 2.405 50 0 DEAARO O[C@@H](COc1ccc(F)cc1)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229245866 402341253 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C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000241301114 402443682 /nfs/dbraw/zinc/44/36/82/402443682.db2.gz LQJZUXXFNVCHRR-UONOGXRCSA-N 1 0 311.813 2.031 50 0 DEAARO C[C@H](NC(=O)[C@H]1OCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000241587804 402443690 /nfs/dbraw/zinc/44/36/90/402443690.db2.gz OXGYFCKJIOXWCT-FZCLSBEQSA-N 1 0 316.445 2.438 50 0 DEAARO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245835614 402490254 /nfs/dbraw/zinc/49/02/54/402490254.db2.gz CUTJOPGWDGFQAH-SJORKVTESA-N 1 0 315.417 2.305 50 0 DEAARO CC(C)[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000170073215 402503069 /nfs/dbraw/zinc/50/30/69/402503069.db2.gz AXHDFYHQZWPKKU-RISCZKNCSA-N 1 0 303.374 2.439 50 0 DEAARO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccc(F)cc1 ZINC000170595083 402505888 /nfs/dbraw/zinc/50/58/88/402505888.db2.gz NARMQOPRZOFHGL-LBPRGKRZSA-N 1 0 317.364 2.484 50 0 DEAARO CN(C(=O)/C=C/c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000179087288 402571935 /nfs/dbraw/zinc/57/19/35/402571935.db2.gz HQJDSIINEMUZEM-NNNHXZLVSA-N 1 0 309.207 2.283 50 0 DEAARO CN(C(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000179095499 402572094 /nfs/dbraw/zinc/57/20/94/402572094.db2.gz VHDBIOXJERXBRJ-LBPRGKRZSA-N 1 0 304.781 2.164 50 0 DEAARO Cn1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000178590377 402514872 /nfs/dbraw/zinc/51/48/72/402514872.db2.gz AVOMSZJABZMGET-NSHDSACASA-N 1 0 318.808 2.161 50 0 DEAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2C1 ZINC000248103286 402582910 /nfs/dbraw/zinc/58/29/10/402582910.db2.gz FHMFRGLMFZBGAE-GVDBMIGSSA-N 1 0 314.429 2.323 50 0 DEAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ncnn1C ZINC000249288235 402624825 /nfs/dbraw/zinc/62/48/25/402624825.db2.gz LZCWFFRJIOTZRU-HWWDLCQESA-N 1 0 313.449 2.061 50 0 DEAARO CCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)n1 ZINC000252671376 402660825 /nfs/dbraw/zinc/66/08/25/402660825.db2.gz NIHWAFHAXIMQSK-FRRDWIJNSA-N 1 0 308.426 2.176 50 0 DEAARO CCn1nccc1CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000253421355 402665154 /nfs/dbraw/zinc/66/51/54/402665154.db2.gz VDVACIKXBFPQTH-QGZVFWFLSA-N 1 0 312.417 2.009 50 0 DEAARO CCCOc1ccc(/C=C\C(=O)N2CC[NH2+]C[C@@H]2C)cc1OC ZINC000254984478 402674258 /nfs/dbraw/zinc/67/42/58/402674258.db2.gz YAUBGFBTBGAINH-QPBFKRLHSA-N 1 0 318.417 2.318 50 0 DEAARO c1cncc(CCNc2cc(N3CCSCC3)ncn2)c1 ZINC000192272283 402720309 /nfs/dbraw/zinc/72/03/09/402720309.db2.gz XBGQMCCZBGCCFA-UHFFFAOYSA-N 1 0 301.419 2.079 50 0 DEAARO CC(C)C[N@@H+]1CC[C@]2(CO)CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC000257174610 402699930 /nfs/dbraw/zinc/69/99/30/402699930.db2.gz ISDRBJPUWGXMFT-DOTOQJQBSA-N 1 0 322.474 2.161 50 0 DEAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)c1C ZINC000257191360 402701858 /nfs/dbraw/zinc/70/18/58/402701858.db2.gz QCWYAPHZYVWNHL-QGZVFWFLSA-N 1 0 321.465 2.416 50 0 DEAARO C[C@H]1COCCN1CC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000192819272 402752250 /nfs/dbraw/zinc/75/22/50/402752250.db2.gz HNHNILZCPDSYKM-HOTGVXAUSA-N 1 0 321.440 2.057 50 0 DEAARO C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000195558492 402851032 /nfs/dbraw/zinc/85/10/32/402851032.db2.gz DGRISPGISYBDGT-UONOGXRCSA-N 1 0 323.441 2.046 50 0 DEAARO COc1ccc(C[N@@H+]2CCCN(c3nnc(C)o3)CC2)cc1 ZINC000265609245 402933087 /nfs/dbraw/zinc/93/30/87/402933087.db2.gz NZSJEJOQPZZLGB-UHFFFAOYSA-N 1 0 302.378 2.099 50 0 DEAARO Cc1ccc(C(=O)NCCC(F)(F)F)cc1OCCC[NH3+] ZINC000299756579 403567116 /nfs/dbraw/zinc/56/71/16/403567116.db2.gz HJRYGNQPBKHITO-UHFFFAOYSA-N 1 0 304.312 2.405 50 0 DEAARO Fc1ccc(/C=C/C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299769795 403569501 /nfs/dbraw/zinc/56/95/01/403569501.db2.gz QGDBSJFVPQITQY-BCGROGQWSA-N 1 0 314.364 2.276 50 0 DEAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2ccccc21 ZINC000299777953 403572226 /nfs/dbraw/zinc/57/22/26/403572226.db2.gz REVOAEOPIZZNCH-WMZOPIPTSA-N 1 0 311.429 2.266 50 0 DEAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000299784318 403574510 /nfs/dbraw/zinc/57/45/10/403574510.db2.gz IJMBRLUWJUJHAT-UHFFFAOYSA-N 1 0 315.417 2.229 50 0 DEAARO CO[C@]12CC[N@H+](Cc3nc4ccccc4n3C)[C@H]1C[C@H](O)CC2 ZINC000299794442 403576823 /nfs/dbraw/zinc/57/68/23/403576823.db2.gz JIMKKQSFIPPYSM-RPVQJOFSSA-N 1 0 315.417 2.078 50 0 DEAARO Cc1c(Cl)ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2O)c1Cl ZINC000299791513 403577401 /nfs/dbraw/zinc/57/74/01/403577401.db2.gz GHLIKZVNPVXNJD-GHMZBOCLSA-N 1 0 318.204 2.146 50 0 DEAARO C[N@@H+]1CCCN(CC(=O)NC2(c3ccccc3Cl)CC2)CC1 ZINC000299797962 403578434 /nfs/dbraw/zinc/57/84/34/403578434.db2.gz OZGLJKVBMDTNDU-UHFFFAOYSA-N 1 0 321.852 2.083 50 0 DEAARO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCc2ccccc2C1 ZINC000333809385 403870309 /nfs/dbraw/zinc/87/03/09/403870309.db2.gz IZJFZYXLMSVRSC-QGZVFWFLSA-N 1 0 310.401 2.006 50 0 DEAARO COC(=O)c1sccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296113024 404100045 /nfs/dbraw/zinc/10/00/45/404100045.db2.gz BNDVIBBHAGDVDZ-AOOOYVTPSA-N 1 0 311.407 2.091 50 0 DEAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccsn1 ZINC000297499030 404560196 /nfs/dbraw/zinc/56/01/96/404560196.db2.gz MZEXDOSZPGHLGF-UHFFFAOYSA-N 1 0 302.403 2.185 50 0 DEAARO C[C@H](c1ccc(-c2n[nH]c(C(=O)N(C)C)n2)cc1)[NH+]1CCCC1 ZINC000426405095 405358349 /nfs/dbraw/zinc/35/83/49/405358349.db2.gz GDCGCDXVIYEHED-GFCCVEGCSA-N 1 0 313.405 2.330 50 0 DEAARO CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1OCC[NH3+] ZINC000426429121 405359103 /nfs/dbraw/zinc/35/91/03/405359103.db2.gz XUWRMIVUVWHSET-FICVDOATSA-N 1 0 318.417 2.115 50 0 DEAARO Cc1ccc(OCC[NH3+])c(C(=O)NCCCc2ccccn2)c1 ZINC000426359508 405354178 /nfs/dbraw/zinc/35/41/78/405354178.db2.gz IYEQWOANLRDZFJ-UHFFFAOYSA-N 1 0 313.401 2.090 50 0 DEAARO CC[C@H](COC)NC(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000426497130 405364577 /nfs/dbraw/zinc/36/45/77/405364577.db2.gz ZAVSPFLPPURRKT-MRXNPFEDSA-N 1 0 307.438 2.315 50 0 DEAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCCC[NH+]1CCCC1 ZINC000426517791 405365786 /nfs/dbraw/zinc/36/57/86/405365786.db2.gz GDSXLUPPGYSSMM-UHFFFAOYSA-N 1 0 321.469 2.335 50 0 DEAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C(=O)NCc1cnc3ccccc3c1)C2 ZINC000426518326 405365923 /nfs/dbraw/zinc/36/59/23/405365923.db2.gz MZTDYKKKWOBIFE-QLPKVWCKSA-N 1 0 310.401 2.114 50 0 DEAARO CC[C@@H](NC(=O)c1cc(C)ccc1OCC[NH3+])c1nc(C)c[nH]1 ZINC000426534112 405367372 /nfs/dbraw/zinc/36/73/72/405367372.db2.gz UTEDMCCOAYSESI-CQSZACIVSA-N 1 0 316.405 2.245 50 0 DEAARO CCc1oc(C(=O)NC[C@@H]2CCOC2)cc1C[NH+]1CCCC1 ZINC000426563049 405369092 /nfs/dbraw/zinc/36/90/92/405369092.db2.gz GDKGPROIYGOJBT-ZDUSSCGKSA-N 1 0 306.406 2.204 50 0 DEAARO Cc1cc(=O)cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)[nH]1 ZINC000426683964 405374379 /nfs/dbraw/zinc/37/43/79/405374379.db2.gz UDXLKLKIVCIDAF-UHFFFAOYSA-N 1 0 305.422 2.020 50 0 DEAARO [NH3+]Cc1nnc(SCC[C@@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426690507 405374717 /nfs/dbraw/zinc/37/47/17/405374717.db2.gz CYDCBNZURKCSBZ-NSHDSACASA-N 1 0 322.409 2.384 50 0 DEAARO CC[N@@H+]1CCCN(S(=O)(=O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000583650989 405779831 /nfs/dbraw/zinc/77/98/31/405779831.db2.gz CPIWUHSTLNKLHE-ZDUSSCGKSA-N 1 0 314.426 2.072 50 0 DEAARO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000585117525 405869539 /nfs/dbraw/zinc/86/95/39/405869539.db2.gz JMCLPXUWLYGIKI-USXIJHARSA-N 1 0 324.490 2.235 50 0 DEAARO CO[C@H]1C[N@H+](C(C)C)[C@H]1C1CCN(C(=O)C2CC=CC2)CC1 ZINC000575557526 406812101 /nfs/dbraw/zinc/81/21/01/406812101.db2.gz FQEDFNNQNDYWCG-IRXDYDNUSA-N 1 0 306.450 2.299 50 0 DEAARO C[C@@H](c1nnnn1C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000189560972 287162910 /nfs/dbraw/zinc/16/29/10/287162910.db2.gz CBXNFXDITIIMOD-CABCVRRESA-N 1 0 320.485 2.248 50 0 DEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000131754343 196196922 /nfs/dbraw/zinc/19/69/22/196196922.db2.gz KOCMLGRMDCPZRR-CMPLNLGQSA-N 1 0 302.827 2.149 50 0 DEAARO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131784472 196198382 /nfs/dbraw/zinc/19/83/82/196198382.db2.gz ZBRWRZYPNVIZGJ-WCBMZHEXSA-N 1 0 323.245 2.494 50 0 DEAARO CC(C)c1noc(CCCC(=O)NC[C@H](C)[NH+]2CCCC2)n1 ZINC000046781243 424821698 /nfs/dbraw/zinc/82/16/98/424821698.db2.gz BAYWNXXSGHAJHZ-ZDUSSCGKSA-N 1 0 308.426 2.116 50 0 DEAARO CC[C@@H](CNC(=O)N(C)Cc1c(C)noc1C)[NH+]1CCCC1 ZINC000048234139 424830986 /nfs/dbraw/zinc/83/09/86/424830986.db2.gz WCKFOAZJDMDZQI-AWEZNQCLSA-N 1 0 308.426 2.307 50 0 DEAARO Cc1nc(CNc2ccc(N3CC[NH+](C)CC3)cn2)cs1 ZINC000048231124 424831031 /nfs/dbraw/zinc/83/10/31/424831031.db2.gz CHJCEDYTHRURFT-UHFFFAOYSA-N 1 0 303.435 2.210 50 0 DEAARO CC(C)CC[NH+]1CCN(Cc2nc(-c3ccccn3)no2)CC1 ZINC000048302947 424831776 /nfs/dbraw/zinc/83/17/76/424831776.db2.gz FKMONBPQZVDHSE-UHFFFAOYSA-N 1 0 315.421 2.295 50 0 DEAARO CC[N@@H+](Cc1csc(-c2ncccn2)n1)C[C@H]1CCOC1 ZINC000044975929 424815328 /nfs/dbraw/zinc/81/53/28/424815328.db2.gz BAEMBRGISIEGTJ-GFCCVEGCSA-N 1 0 304.419 2.459 50 0 DEAARO COc1ccc(C2=CC[N@H+](C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000044975456 424815363 /nfs/dbraw/zinc/81/53/63/424815363.db2.gz NDKUKPCCENMFJD-KRWDZBQOSA-N 1 0 313.401 2.042 50 0 DEAARO c1cc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc2c1OCO2 ZINC000048681142 424834739 /nfs/dbraw/zinc/83/47/39/424834739.db2.gz LMLFZGOXXDLFAF-UHFFFAOYSA-N 1 0 312.373 2.095 50 0 DEAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000101277881 424846433 /nfs/dbraw/zinc/84/64/33/424846433.db2.gz FMILDTUHEMBMMC-SZMVWBNQSA-N 1 0 312.413 2.271 50 0 DEAARO O[C@@H]1C[C@@H](C2CCCCC2)[N@H+](Cc2cnc3cnccn23)C1 ZINC000108369230 424851455 /nfs/dbraw/zinc/85/14/55/424851455.db2.gz SGTRBUHGWVKVNI-CVEARBPZSA-N 1 0 300.406 2.245 50 0 DEAARO CC1(C)[C@H]([NH2+]C[C@@]2(O)CCOC2)C[C@@H]1OCc1ccccc1 ZINC000108462219 424851607 /nfs/dbraw/zinc/85/16/07/424851607.db2.gz NAKIHMOHGQIKJI-RYRKJORJSA-N 1 0 305.418 2.111 50 0 DEAARO Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000108357593 424851100 /nfs/dbraw/zinc/85/11/00/424851100.db2.gz VIAOQOIXLJPNTJ-RYUDHWBXSA-N 1 0 311.223 2.406 50 0 DEAARO CN(CC[NH+](C)C)C(=O)CO[C@H](c1ccccc1)C(F)(F)F ZINC000244601805 424886240 /nfs/dbraw/zinc/88/62/40/424886240.db2.gz DSALFLHLEONAMK-CQSZACIVSA-N 1 0 318.339 2.327 50 0 DEAARO C[NH+](C)Cc1ccccc1-c1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065507545 273802683 /nfs/dbraw/zinc/80/26/83/273802683.db2.gz JZFSOZHMLFXTBW-UHFFFAOYSA-N 1 0 312.417 2.450 50 0 DEAARO c1ccc2c(c1)Cc1c(ncnc1N1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000097632191 275070574 /nfs/dbraw/zinc/07/05/74/275070574.db2.gz BFDCIMHFSDIJOW-OAHLLOKOSA-N 1 0 322.412 2.244 50 0 DEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000097019891 275782195 /nfs/dbraw/zinc/78/21/95/275782195.db2.gz XQSVLHXYPVWMFR-CYBMUJFWSA-N 1 0 300.406 2.282 50 0 DEAARO CCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)n1 ZINC000089290041 276705358 /nfs/dbraw/zinc/70/53/58/276705358.db2.gz WKAROOSKCVSYKE-OBJOEFQTSA-N 1 0 320.437 2.320 50 0 DEAARO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(C3CC3)C1)CCCO2 ZINC000090182364 277445325 /nfs/dbraw/zinc/44/53/25/277445325.db2.gz CFLDLFKFCQLSAF-LRDDRELGSA-N 1 0 316.401 2.262 50 0 DEAARO CC[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(=O)OC ZINC000192859935 288035613 /nfs/dbraw/zinc/03/56/13/288035613.db2.gz GMKOHEBGLQDERU-BBRMVZONSA-N 1 0 305.422 2.148 50 0 DEAARO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179084186 279182107 /nfs/dbraw/zinc/18/21/07/279182107.db2.gz QAGRIVUKFNOPDL-CQSZACIVSA-N 1 0 318.808 2.268 50 0 DEAARO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C1CCCCC1 ZINC000096440597 279437476 /nfs/dbraw/zinc/43/74/76/279437476.db2.gz UBTJSEDUDKBIFP-AWEZNQCLSA-N 1 0 311.470 2.365 50 0 DEAARO Cc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)nc(N)[nH+]1 ZINC000069532332 280556687 /nfs/dbraw/zinc/55/66/87/280556687.db2.gz DCYRTJLOIMTRGU-ZDUSSCGKSA-N 1 0 312.373 2.480 50 0 DEAARO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000237706896 281369274 /nfs/dbraw/zinc/36/92/74/281369274.db2.gz OPVFADDHRHFDAA-HWMZRRJGSA-N 1 0 302.418 2.411 50 0 DEAARO Cc1nc2c(c(=O)n1C)CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000065381658 282008069 /nfs/dbraw/zinc/00/80/69/282008069.db2.gz GZFNPBYFCYHBBV-UHFFFAOYSA-N 1 0 320.396 2.242 50 0 DEAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000238047369 295256833 /nfs/dbraw/zinc/25/68/33/295256833.db2.gz VIQHKDQTFZLJHY-DZGCQCFKSA-N 1 0 305.397 2.283 50 0 DEAARO O=C(CN1CCC[C@@H]([NH+]2CCCCCC2)C1)NCC(F)(F)F ZINC000069973470 295502675 /nfs/dbraw/zinc/50/26/75/295502675.db2.gz VFQHYKGVPZSFIO-CYBMUJFWSA-N 1 0 321.387 2.005 50 0 DEAARO Cc1cnc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000071851405 302336107 /nfs/dbraw/zinc/33/61/07/302336107.db2.gz CSZUXDDJHORYNR-QGZVFWFLSA-N 1 0 310.401 2.352 50 0 DEAARO O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCC[NH2+]C2)s1 ZINC000047218821 331723626 /nfs/dbraw/zinc/72/36/26/331723626.db2.gz SZNFZUDKMIWSRV-SECBINFHSA-N 1 0 306.366 2.397 50 0 DEAARO c1c(-c2cncnc2)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095365991 332169395 /nfs/dbraw/zinc/16/93/95/332169395.db2.gz BTNDBBORRKLADC-MRXNPFEDSA-N 1 0 306.373 2.182 50 0 DEAARO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(OC)c1)CC2 ZINC000253431191 333771552 /nfs/dbraw/zinc/77/15/52/333771552.db2.gz ZNAZZCAUBDQRON-ZDUSSCGKSA-N 1 0 305.374 2.176 50 0 DEAARO COCCN(Cc1ccsc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000534644144 334306445 /nfs/dbraw/zinc/30/64/45/334306445.db2.gz FVIRCEAZZRKCLK-CQSZACIVSA-N 1 0 308.447 2.113 50 0 DEAARO O=C([O-])[C@@H]1CN(Cc2cc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000534637666 334309797 /nfs/dbraw/zinc/30/97/97/334309797.db2.gz ORHPHUDBDGBZIO-HNNXBMFYSA-N 1 0 324.446 2.019 50 0 DEAARO O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1C=CC[NH2+]1 ZINC000534651644 334312290 /nfs/dbraw/zinc/31/22/90/334312290.db2.gz UWBCGHDYQBHZMV-MQBCKMQZSA-N 1 0 324.428 2.481 50 0 DEAARO Cn1ccnc1[C@H](NC(=O)Cc1n[nH]c2ccccc21)C1CC1 ZINC000534670888 334320312 /nfs/dbraw/zinc/32/03/12/334320312.db2.gz VYZSSCDUZCWYAR-MRXNPFEDSA-N 1 0 309.373 2.106 50 0 DEAARO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 ZINC000097231043 337382484 /nfs/dbraw/zinc/38/24/84/337382484.db2.gz PKTZSDFROHCWKR-FZMZJTMJSA-N 1 0 302.340 2.466 50 0 DEAARO C[C@@H](C(=O)Nc1ccc(OCCO)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000156403957 337383298 /nfs/dbraw/zinc/38/32/98/337383298.db2.gz LEOPPIGRYAXBMT-MJBXVCDLSA-N 1 0 306.406 2.258 50 0 DEAARO COC(=O)c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000241897280 534118395 /nfs/dbraw/zinc/11/83/95/534118395.db2.gz TXGHUHMIVOIEGD-YUELXQCFSA-N 1 0 320.458 2.451 50 0 DEAARO Cc1noc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)n1 ZINC000339168102 526621562 /nfs/dbraw/zinc/62/15/62/526621562.db2.gz RGGSXODXWSGONC-VIFPVBQESA-N 1 0 306.332 2.130 50 0 DEAARO CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC([NH3+])CC1 ZINC000299740029 527743741 /nfs/dbraw/zinc/74/37/41/527743741.db2.gz USTCJTYMSJSODY-HNNXBMFYSA-N 1 0 312.360 2.318 50 0 DEAARO CCOCC[N@@H+]1CCN(CCOc2cccc(F)c2)C[C@H]1C ZINC000241383370 528751485 /nfs/dbraw/zinc/75/14/85/528751485.db2.gz MUVHNFPPIMFMJJ-OAHLLOKOSA-N 1 0 310.413 2.247 50 0 DEAARO CC[NH2+][C@H](C)CNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000262306813 535513278 /nfs/dbraw/zinc/51/32/78/535513278.db2.gz ASPVWUXBPHZJFM-LLVKDONJSA-N 1 0 321.808 2.381 50 0 DEAARO C[NH+]1CCC(CC(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000368169339 536335287 /nfs/dbraw/zinc/33/52/87/536335287.db2.gz XUTGXAHDMQIHIE-IBGZPJMESA-N 1 0 314.429 2.376 50 0 DEAARO Cc1ncccc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191769954 625542230 /nfs/dbraw/zinc/54/22/30/625542230.db2.gz AMBMESKWFIBIEU-KRWDZBQOSA-N 1 0 313.376 2.420 50 0 DEAARO CO[C@@H](C)c1c(-c2ccccc2)ncn1C[C@]1(O)CC[N@H+](C)C1 ZINC000888097447 635541146 /nfs/dbraw/zinc/54/11/46/635541146.db2.gz JAKCXIMUWFOSKC-KSSFIOAISA-N 1 0 315.417 2.324 50 0 DEAARO C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000888099659 635548665 /nfs/dbraw/zinc/54/86/65/635548665.db2.gz IJJWPFDENKCGHD-UGUYLWEFSA-N 1 0 309.498 2.199 50 0 DEAARO CC[NH+](CC)CCN(C)c1nncc(-c2ccc(OC)cc2)n1 ZINC000011815221 635781942 /nfs/dbraw/zinc/78/19/42/635781942.db2.gz NFDFBTFKXJDRLV-UHFFFAOYSA-N 1 0 315.421 2.325 50 0 DEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1C ZINC000074197409 637121399 /nfs/dbraw/zinc/12/13/99/637121399.db2.gz ZAGNTIYLZUVDKV-INIZCTEOSA-N 1 0 312.417 2.395 50 0 DEAARO COc1cccc(-n2cc(CNc3ncc(C)c(N)n3)cn2)c1 ZINC000032529843 683877715 /nfs/dbraw/zinc/87/77/15/683877715.db2.gz WTRJVAGVLPBOJR-UHFFFAOYSA-N 1 0 310.361 2.174 50 0 DEAARO COc1cc2c(c(C[N@H+](C)CCn3cccn3)c1)O[C@@H](C)C2 ZINC000125241277 684143546 /nfs/dbraw/zinc/14/35/46/684143546.db2.gz VLEHWUWABHJWMU-ZDUSSCGKSA-N 1 0 301.390 2.347 50 0 DEAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cc2cncs2)CC1 ZINC000190171038 684396770 /nfs/dbraw/zinc/39/67/70/684396770.db2.gz YKSONISCWXKWJS-UHFFFAOYSA-N 1 0 319.430 2.402 50 0 DEAARO CS(=O)(=O)CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000193238823 685035555 /nfs/dbraw/zinc/03/55/55/685035555.db2.gz ZPSNUDNGGFUDBK-UHFFFAOYSA-N 1 0 303.427 2.453 50 0 DEAARO