smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1C[N@H+]1CCC[C@H]1c1cccc2nccn21 ZINC000257254108 190020808 /nfs/dbraw/zinc/02/08/08/190020808.db2.gz KBQMPLXVMPPNHL-AWEZNQCLSA-N 1 1 297.427 4.041 40 0 CIABMO CCCCNc1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072213602 256712845 /nfs/dbraw/zinc/71/28/45/256712845.db2.gz WUUWQFHALGLGHW-MRXNPFEDSA-N 1 1 275.440 4.087 40 0 CIABMO CC(C)(C)[N@H+]1C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004991040 170050699 /nfs/dbraw/zinc/05/06/99/170050699.db2.gz ZCTKIUWMGOTRNW-ROUUACIJSA-N 1 1 293.410 4.341 40 0 CIABMO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]12 ZINC000005082443 170065048 /nfs/dbraw/zinc/06/50/48/170065048.db2.gz JUPDIHMJFPDGMY-HBUWYVDXSA-N 1 1 280.415 4.277 40 0 CIABMO Cc1cccc(NCc2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000072228423 176343827 /nfs/dbraw/zinc/34/38/27/176343827.db2.gz APSKAGOYJSLJJK-UHFFFAOYSA-N 1 1 267.159 4.309 40 0 CIABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217485 567920668 /nfs/dbraw/zinc/92/06/68/567920668.db2.gz WGQAZXZYYLSNJB-HNNXBMFYSA-N 1 1 278.465 4.375 40 0 CIABMO C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000004119597 567855518 /nfs/dbraw/zinc/85/55/18/567855518.db2.gz TUHNPNHADQMPAJ-OPMWNPIGSA-N 1 1 295.426 4.048 40 0 CIABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236385 567862601 /nfs/dbraw/zinc/86/26/01/567862601.db2.gz KJJWCNXTZJHTRO-SFHVURJKSA-N 1 1 291.398 4.208 40 0 CIABMO c1ccc([C@H]2C[N@H+](C[C@@H]3CCOC3)CC23CCCCC3)cc1 ZINC000019370011 567878136 /nfs/dbraw/zinc/87/81/36/567878136.db2.gz ZGWSSYPZWUXYCD-PKOBYXMFSA-N 1 1 299.458 4.073 40 0 CIABMO CC(C)Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211888 567917586 /nfs/dbraw/zinc/91/75/86/567917586.db2.gz JYULHSDHESFLOM-SFHVURJKSA-N 1 1 296.414 4.206 40 0 CIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1Br ZINC000072211631 567917632 /nfs/dbraw/zinc/91/76/32/567917632.db2.gz SAUOWQWPYCXVOA-CYBMUJFWSA-N 1 1 297.240 4.027 40 0 CIABMO Cc1ccnc([C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072211212 567917884 /nfs/dbraw/zinc/91/78/84/567917884.db2.gz WXJYBHIVMVBIPS-GOSISDBHSA-N 1 1 266.388 4.117 40 0 CIABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(Br)nc1 ZINC000072211578 567917904 /nfs/dbraw/zinc/91/79/04/567917904.db2.gz HCXUKIAPNVOTKR-ZDUSSCGKSA-N 1 1 297.240 4.171 40 0 CIABMO CCN(CC)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072212858 567918031 /nfs/dbraw/zinc/91/80/31/567918031.db2.gz UGIUAAGXTIZSCS-KRWDZBQOSA-N 1 1 289.467 4.111 40 0 CIABMO CC[N@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212131 567918156 /nfs/dbraw/zinc/91/81/56/567918156.db2.gz BGIYLXANXIZRRZ-INIZCTEOSA-N 1 1 268.360 4.031 40 0 CIABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212078 567918221 /nfs/dbraw/zinc/91/82/21/567918221.db2.gz IZEBXRYBBDDRNI-GOSISDBHSA-N 1 1 296.414 4.206 40 0 CIABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212199 567918451 /nfs/dbraw/zinc/91/84/51/567918451.db2.gz PNSOVFKYNCGISX-KRWDZBQOSA-N 1 1 282.387 4.419 40 0 CIABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(CC)CC)nc1 ZINC000072212861 567918477 /nfs/dbraw/zinc/91/84/77/567918477.db2.gz QNCPJMUCFVCIJB-KRWDZBQOSA-N 1 1 289.467 4.255 40 0 CIABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213426 567918734 /nfs/dbraw/zinc/91/87/34/567918734.db2.gz RFGGRYKJUZNIIN-HOCLYGCPSA-N 1 1 275.440 4.229 40 0 CIABMO CCCCNc1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072213618 567918740 /nfs/dbraw/zinc/91/87/40/567918740.db2.gz AJXMFGKOLOCKJV-INIZCTEOSA-N 1 1 275.440 4.229 40 0 CIABMO CCCCNc1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072213620 567918774 /nfs/dbraw/zinc/91/87/74/567918774.db2.gz GESOFUSYRGWWGH-KRWDZBQOSA-N 1 1 289.467 4.477 40 0 CIABMO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213542 567918943 /nfs/dbraw/zinc/91/89/43/567918943.db2.gz VYSSJYMMUBITHO-GOEBONIOSA-N 1 1 275.440 4.227 40 0 CIABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213978 567919104 /nfs/dbraw/zinc/91/91/04/567919104.db2.gz VNAUPMAXMLUDKY-QGZVFWFLSA-N 1 1 287.451 4.372 40 0 CIABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214190 567919566 /nfs/dbraw/zinc/91/95/66/567919566.db2.gz YIRPIVPBPRSSLB-KRWDZBQOSA-N 1 1 281.403 4.006 40 0 CIABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214197 567919705 /nfs/dbraw/zinc/91/97/05/567919705.db2.gz BIXTWOLLPWDXTR-GOSISDBHSA-N 1 1 295.430 4.395 40 0 CIABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214215 567919808 /nfs/dbraw/zinc/91/98/08/567919808.db2.gz PHJZIAMBCPVQSW-SFHVURJKSA-N 1 1 295.430 4.396 40 0 CIABMO CCC[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214140 567919863 /nfs/dbraw/zinc/91/98/63/567919863.db2.gz WGUVCXBIEFZINQ-KRWDZBQOSA-N 1 1 281.403 4.372 40 0 CIABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214077 567919926 /nfs/dbraw/zinc/91/99/26/567919926.db2.gz JWBCRZVEIUTDIM-QGZVFWFLSA-N 1 1 281.403 4.371 40 0 CIABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217544 567920146 /nfs/dbraw/zinc/92/01/46/567920146.db2.gz FWNRCZVRIMEGJX-OAHLLOKOSA-N 1 1 278.465 4.375 40 0 CIABMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000072217769 567920242 /nfs/dbraw/zinc/92/02/42/567920242.db2.gz ZRBIABILMSOCCP-INIZCTEOSA-N 1 1 286.806 4.381 40 0 CIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216108 567920276 /nfs/dbraw/zinc/92/02/76/567920276.db2.gz KJZBDSAABOERGZ-KRWDZBQOSA-N 1 1 287.451 4.009 40 0 CIABMO CC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217497 567920560 /nfs/dbraw/zinc/92/05/60/567920560.db2.gz VDPRKYXRFNEVSJ-CQSZACIVSA-N 1 1 264.438 4.129 40 0 CIABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217557 567920741 /nfs/dbraw/zinc/92/07/41/567920741.db2.gz OMXVTBRCUXTEDR-CQSZACIVSA-N 1 1 264.438 4.129 40 0 CIABMO S=c1[nH]cccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217087 567921037 /nfs/dbraw/zinc/92/10/37/567921037.db2.gz TUYGFYUSNIYPBS-MRXNPFEDSA-N 1 1 284.428 4.098 40 0 CIABMO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218346 567921074 /nfs/dbraw/zinc/92/10/74/567921074.db2.gz OAMTTXGCYQVMJY-KRWDZBQOSA-N 1 1 298.455 4.406 40 0 CIABMO S=c1[nH]cccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217088 567921105 /nfs/dbraw/zinc/92/11/05/567921105.db2.gz TUYGFYUSNIYPBS-INIZCTEOSA-N 1 1 284.428 4.098 40 0 CIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1SCC ZINC000072217186 567921286 /nfs/dbraw/zinc/92/12/86/567921286.db2.gz NJZXMVRRLXXSBY-CQSZACIVSA-N 1 1 264.438 4.131 40 0 CIABMO CC(C)[N@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219586 567921852 /nfs/dbraw/zinc/92/18/52/567921852.db2.gz LVKCVAIJSUIBGH-KRWDZBQOSA-N 1 1 254.377 4.170 40 0 CIABMO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1 ZINC000072221701 567922156 /nfs/dbraw/zinc/92/21/56/567922156.db2.gz CYOUWRXQLIHQAZ-INIZCTEOSA-N 1 1 257.402 4.475 40 0 CIABMO CCCN(CCC)c1cc(C)c([C@@H](O)c2ccccc2)c[nH+]1 ZINC000072223292 567922163 /nfs/dbraw/zinc/92/21/63/567922163.db2.gz ZZUGJBKXDSCOSH-IBGZPJMESA-N 1 1 298.430 4.098 40 0 CIABMO CC(C)(C)Nc1c(-c2ccc(F)cc2)[nH+]c2ccccn21 ZINC000000320115 567929442 /nfs/dbraw/zinc/92/94/42/567929442.db2.gz QAANPAKKIOFEDY-UHFFFAOYSA-N 1 1 283.350 4.351 40 0 CIABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC(C)(C)C ZINC000000416283 567929792 /nfs/dbraw/zinc/92/97/92/567929792.db2.gz JYBYCPYURGJABT-UHFFFAOYSA-N 1 1 295.386 4.226 40 0 CIABMO C[N@@H+](CCC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000001706290 567937347 /nfs/dbraw/zinc/93/73/47/567937347.db2.gz BMDXERCMKPFTNF-UHFFFAOYSA-N 1 1 287.790 4.045 40 0 CIABMO c1csc(C[N@@H+](Cc2cccnc2)CC2CCCC2)c1 ZINC000013569685 570284721 /nfs/dbraw/zinc/28/47/21/570284721.db2.gz PDZUCRQWZFBRLZ-UHFFFAOYSA-N 1 1 286.444 4.336 40 0 CIABMO CC(C)n1nccc1-c1cc([C@H]2CCC[N@H+]2C(C)C)ccn1 ZINC000257315266 190033091 /nfs/dbraw/zinc/03/30/91/190033091.db2.gz VAOQBLLZMLIJIP-QGZVFWFLSA-N 1 1 298.434 4.071 40 0 CIABMO C[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217676 256708987 /nfs/dbraw/zinc/70/89/87/256708987.db2.gz WKWDICJWXLHALK-INIZCTEOSA-N 1 1 284.428 4.390 40 0 CIABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216048 256711326 /nfs/dbraw/zinc/71/13/26/256711326.db2.gz IHFADALXACMOCC-KRWDZBQOSA-N 1 1 287.451 4.009 40 0 CIABMO CCC[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214079 256711679 /nfs/dbraw/zinc/71/16/79/256711679.db2.gz WLWHLWXLHRVQCM-QGZVFWFLSA-N 1 1 281.403 4.372 40 0 CIABMO CCC[N@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213977 256712888 /nfs/dbraw/zinc/71/28/88/256712888.db2.gz ILINSSSWJKBTEJ-KRWDZBQOSA-N 1 1 287.451 4.373 40 0 CIABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1O)c2NC(C)(C)C ZINC000004848445 170029592 /nfs/dbraw/zinc/02/95/92/170029592.db2.gz LPDAFXFTAFWAEE-UHFFFAOYSA-N 1 1 295.386 4.226 40 0 CIABMO Cc1cc(C)c(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c(C)c1 ZINC000004934790 170042394 /nfs/dbraw/zinc/04/23/94/170042394.db2.gz KANHRZRLUMHDTL-ROUUACIJSA-N 1 1 299.458 4.307 40 0 CIABMO CC[C@]12C=CC[N@H+](C1)CCc1c3ccccc3[nH]c1/C=C\2 ZINC000005824101 170143891 /nfs/dbraw/zinc/14/38/91/170143891.db2.gz MSGYVJRBNLKUPF-SCEWNMGZSA-N 1 1 278.399 4.005 40 0 CIABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072352989 176374512 /nfs/dbraw/zinc/37/45/12/176374512.db2.gz GFWZUZYYIBOLBL-KRWDZBQOSA-N 1 1 296.418 4.013 40 0 CIABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211467 567917871 /nfs/dbraw/zinc/91/78/71/567917871.db2.gz NQMBOVPFONOINH-CYBMUJFWSA-N 1 1 252.789 4.062 40 0 CIABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217542 567920177 /nfs/dbraw/zinc/92/01/77/567920177.db2.gz NLSHNIWLKQEJFO-CQSZACIVSA-N 1 1 264.438 4.129 40 0 CIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000049168892 560084830 /nfs/dbraw/zinc/08/48/30/560084830.db2.gz CXSZOSMROJOTLX-INIZCTEOSA-N 1 1 292.382 4.126 40 0 biogenic,in-vitro CIABMO CCc1cccc2c(Nc3cccc(N)c3)cc[nH+]c12 ZINC000064875397 567110668 /nfs/dbraw/zinc/11/06/68/567110668.db2.gz JEFAWEGDXJQWEN-UHFFFAOYSA-N 1 1 263.344 4.123 40 0 CIABMO CC(C)c1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000001734834 567842720 /nfs/dbraw/zinc/84/27/20/567842720.db2.gz VYVXBWMPGSCTBO-UHFFFAOYSA-N 1 1 269.175 4.362 40 0 in-vitro CIABMO C[C@H]1C(=O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000013146934 567865062 /nfs/dbraw/zinc/86/50/62/567865062.db2.gz DZCQBSKDIIAQHT-POZUXBRTSA-N 1 1 279.383 4.010 40 0 CIABMO C[C@H]1C(=O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000013146934 567865064 /nfs/dbraw/zinc/86/50/64/567865064.db2.gz DZCQBSKDIIAQHT-POZUXBRTSA-N 1 1 279.383 4.010 40 0 CIABMO CC[N@@H+](Cc1ccc(OC)cc1)C1C2CC3CC(C2)CC1C3 ZINC000016778755 567873816 /nfs/dbraw/zinc/87/38/16/567873816.db2.gz BLAIMPYNLACHMP-UHFFFAOYSA-N 1 1 299.458 4.342 40 0 CIABMO CC(C)CCN1CC[N@@H+](CCC(C)C)[C@H]2CCCC[C@@H]21 ZINC000019365567 567877437 /nfs/dbraw/zinc/87/74/37/567877437.db2.gz OYSVALUQVIHYRR-ROUUACIJSA-N 1 1 280.500 4.007 40 0 CIABMO c1csc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346921 567877586 /nfs/dbraw/zinc/87/75/86/567877586.db2.gz WADJAZXPXOXIES-AWEZNQCLSA-N 1 1 297.427 4.004 40 0 CIABMO Cc1cc[nH+]c(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000057997983 567905869 /nfs/dbraw/zinc/90/58/69/567905869.db2.gz FJRNZVIUKJKYNY-UHFFFAOYSA-N 1 1 266.266 4.021 40 0 CIABMO CCOc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211865 567917580 /nfs/dbraw/zinc/91/75/80/567917580.db2.gz DNCKZGUFTCNAAA-SFHVURJKSA-N 1 1 296.414 4.208 40 0 CIABMO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211263 567917590 /nfs/dbraw/zinc/91/75/90/567917590.db2.gz VHLUWTBKMZIZCC-GOSISDBHSA-N 1 1 266.388 4.117 40 0 CIABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1 ZINC000072211922 567917678 /nfs/dbraw/zinc/91/76/78/567917678.db2.gz GPXRREBGIKYADD-INIZCTEOSA-N 1 1 276.424 4.052 40 0 CIABMO Cc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211314 567917829 /nfs/dbraw/zinc/91/78/29/567917829.db2.gz LXCCIPDKAWASAR-SFHVURJKSA-N 1 1 266.388 4.117 40 0 CIABMO Cc1cccnc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211158 567917891 /nfs/dbraw/zinc/91/78/91/567917891.db2.gz UFBXYVJMTVIDNN-QGZVFWFLSA-N 1 1 266.388 4.117 40 0 CIABMO CCOc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211866 567917916 /nfs/dbraw/zinc/91/79/16/567917916.db2.gz DNCKZGUFTCNAAA-GOSISDBHSA-N 1 1 296.414 4.208 40 0 CIABMO CCCNc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072213157 567918241 /nfs/dbraw/zinc/91/82/41/567918241.db2.gz FTMWAILMGPXYPS-MRXNPFEDSA-N 1 1 275.440 4.087 40 0 CIABMO CC[N@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212216 567918270 /nfs/dbraw/zinc/91/82/70/567918270.db2.gz KSPHDUOUEMVINH-KRWDZBQOSA-N 1 1 282.387 4.421 40 0 CIABMO CC[C@H](C)Nc1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072213512 567919029 /nfs/dbraw/zinc/91/90/29/567919029.db2.gz YMXKXDZFMYZWNM-GOEBONIOSA-N 1 1 275.440 4.085 40 0 CIABMO CCCCNc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213678 567919090 /nfs/dbraw/zinc/91/90/90/567919090.db2.gz WWWOZXIEBMBIRP-INIZCTEOSA-N 1 1 275.440 4.229 40 0 CIABMO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072213397 567919197 /nfs/dbraw/zinc/91/91/97/567919197.db2.gz ACSATDVVRYUGTA-ZBFHGGJFSA-N 1 1 275.440 4.085 40 0 CIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213860 567919300 /nfs/dbraw/zinc/91/93/00/567919300.db2.gz SMHOCCIDDJVLMV-QGZVFWFLSA-N 1 1 287.451 4.229 40 0 CIABMO CCCCNc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072213621 567919317 /nfs/dbraw/zinc/91/93/17/567919317.db2.gz GESOFUSYRGWWGH-QGZVFWFLSA-N 1 1 289.467 4.477 40 0 CIABMO CCCCNc1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072213619 567919377 /nfs/dbraw/zinc/91/93/77/567919377.db2.gz AJXMFGKOLOCKJV-MRXNPFEDSA-N 1 1 275.440 4.229 40 0 CIABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214250 567919511 /nfs/dbraw/zinc/91/95/11/567919511.db2.gz OMHYRQDHBZYPQT-KRWDZBQOSA-N 1 1 281.403 4.006 40 0 CIABMO CC(C)Sc1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072217480 567919637 /nfs/dbraw/zinc/91/96/37/567919637.db2.gz ZGLUMENKHRFVLP-CQSZACIVSA-N 1 1 264.438 4.127 40 0 CIABMO CC[N@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217352 567919679 /nfs/dbraw/zinc/91/96/79/567919679.db2.gz BDCHRZCUVIALPN-CYBMUJFWSA-N 1 1 264.438 4.129 40 0 CIABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214138 567919950 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567919785 /nfs/dbraw/zinc/91/97/85/567919785.db2.gz MPPVZYWWPMVMLD-GOSISDBHSA-N 1 1 295.430 4.395 40 0 CIABMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000072217770 567920413 /nfs/dbraw/zinc/92/04/13/567920413.db2.gz ZRBIABILMSOCCP-MRXNPFEDSA-N 1 1 286.806 4.381 40 0 CIABMO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218310 567921143 /nfs/dbraw/zinc/92/11/43/567921143.db2.gz GCKGFDDKKFMREN-MRXNPFEDSA-N 1 1 284.428 4.016 40 0 CIABMO CSc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072216871 567921230 /nfs/dbraw/zinc/92/12/30/567921230.db2.gz CVYZPFNSFYUIQC-MRXNPFEDSA-N 1 1 284.428 4.141 40 0 CIABMO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072218309 567921237 /nfs/dbraw/zinc/92/12/37/567921237.db2.gz GCKGFDDKKFMREN-INIZCTEOSA-N 1 1 284.428 4.016 40 0 CIABMO CCC[N@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219584 567921958 /nfs/dbraw/zinc/92/19/58/567921958.db2.gz YAJPBAZKYBDVLZ-KRWDZBQOSA-N 1 1 254.377 4.172 40 0 CIABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221756 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XTSWGBZRUUDSBB-INIZCTEOSA-N 1 1 275.440 4.231 40 0 CIABMO CCC[N@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214020 567918754 /nfs/dbraw/zinc/91/87/54/567918754.db2.gz LEGBOQHAXNJJNU-KRWDZBQOSA-N 1 1 287.451 4.373 40 0 CIABMO CCCC[N@H+]1CCC[C@H]1c1ccc(NCC(C)C)nc1 ZINC000072213320 567919056 /nfs/dbraw/zinc/91/90/56/567919056.db2.gz YBBQYOFJTIWQIR-INIZCTEOSA-N 1 1 275.440 4.087 40 0 CIABMO CN(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072214273 567919646 /nfs/dbraw/zinc/91/96/46/567919646.db2.gz IUDDEPOESKFJEW-KRWDZBQOSA-N 1 1 281.403 4.006 40 0 CIABMO CN(c1ccccc1)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072214212 567919840 /nfs/dbraw/zinc/91/98/40/567919840.db2.gz LIYBASCCRFPHME-QGZVFWFLSA-N 1 1 281.403 4.006 40 0 CIABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216123 567920501 /nfs/dbraw/zinc/92/05/01/567920501.db2.gz LXQLABSPZRMEFM-KRWDZBQOSA-N 1 1 287.451 4.007 40 0 CIABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217545 567920600 /nfs/dbraw/zinc/92/06/00/567920600.db2.gz FWNRCZVRIMEGJX-HNNXBMFYSA-N 1 1 278.465 4.375 40 0 CIABMO CCSc1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072217142 567921294 /nfs/dbraw/zinc/92/12/94/567921294.db2.gz AAEGRUHPTFIWNR-CQSZACIVSA-N 1 1 264.438 4.129 40 0 CIABMO CC(C)[N@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219585 567921494 /nfs/dbraw/zinc/92/14/94/567921494.db2.gz LVKCVAIJSUIBGH-QGZVFWFLSA-N 1 1 254.377 4.170 40 0 CIABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221755 567922045 /nfs/dbraw/zinc/92/20/45/567922045.db2.gz CJHWZHNNAXWPOW-KRWDZBQOSA-N 1 1 256.393 4.351 40 0 CIABMO c1csc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000072221661 567922169 /nfs/dbraw/zinc/92/21/69/567922169.db2.gz QVBMPRVVMIPUNQ-HNNXBMFYSA-N 1 1 257.402 4.475 40 0 CIABMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072221486 256706359 /nfs/dbraw/zinc/70/63/59/256706359.db2.gz BOGDFPZEQFFVQG-GOSISDBHSA-N 1 1 281.399 4.422 40 0 CIABMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072221462 256706664 /nfs/dbraw/zinc/70/66/64/256706664.db2.gz PBJVVTVIRQMMAK-KRWDZBQOSA-N 1 1 267.372 4.032 40 0 CIABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216642 256710664 /nfs/dbraw/zinc/71/06/64/256710664.db2.gz SJAVYSDQVZGFMU-KRWDZBQOSA-N 1 1 287.451 4.007 40 0 CIABMO CCCNc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072213216 256713166 /nfs/dbraw/zinc/71/31/66/256713166.db2.gz REAHHVAQKSALPV-INIZCTEOSA-N 1 1 275.440 4.087 40 0 CIABMO C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357522 176376442 /nfs/dbraw/zinc/37/64/42/176376442.db2.gz KGAHVZZLMUUGDR-KRWDZBQOSA-N 1 1 286.806 4.093 40 0 CIABMO c1csc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000072398369 176396541 /nfs/dbraw/zinc/39/65/41/176396541.db2.gz JCYAQFWRTSMZBQ-UHFFFAOYSA-N 1 1 294.423 4.346 40 0 CIABMO c1csc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000072398369 176396542 /nfs/dbraw/zinc/39/65/42/176396542.db2.gz JCYAQFWRTSMZBQ-UHFFFAOYSA-N 1 1 294.423 4.346 40 0 CIABMO c1cc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cs1 ZINC000072398370 176396555 /nfs/dbraw/zinc/39/65/55/176396555.db2.gz BZMIMDQJVROVMF-UHFFFAOYSA-N 1 1 294.423 4.346 40 0 CIABMO c1cc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cs1 ZINC000072398370 176396557 /nfs/dbraw/zinc/39/65/57/176396557.db2.gz BZMIMDQJVROVMF-UHFFFAOYSA-N 1 1 294.423 4.346 40 0 CIABMO CC(C)Cc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000527734868 330278644 /nfs/dbraw/zinc/27/86/44/330278644.db2.gz VGHDMZMEYLSVKS-UHFFFAOYSA-N 1 1 293.414 4.051 40 0 CIABMO c1ccc([C@@H]2C[N@H+](C[C@H]3CCOC3)CC23CCCCC3)cc1 ZINC000247985755 334292853 /nfs/dbraw/zinc/29/28/53/334292853.db2.gz ZGWSSYPZWUXYCD-MJGOQNOKSA-N 1 1 299.458 4.073 40 0 CIABMO Cc1nc(Cl)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072217923 567920329 /nfs/dbraw/zinc/92/03/29/567920329.db2.gz RUPOSQHFZDVNDL-CQSZACIVSA-N 1 1 266.816 4.226 40 0 CIABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236388 567862604 /nfs/dbraw/zinc/86/26/04/567862604.db2.gz AOUQXIYVDUCXRX-QGZVFWFLSA-N 1 1 295.361 4.039 40 0 CIABMO [NH2+]=C1c2c(ccc3ccccc23)CN1c1ccc(F)cc1 ZINC000027491090 567883114 /nfs/dbraw/zinc/88/31/14/567883114.db2.gz HEEKTNWXUAYEHQ-UHFFFAOYSA-N 1 1 276.314 4.324 40 0 CIABMO CCCCCC[C@@H](CNCCCC)[NH2+]CCCC ZINC000043752075 567906481 /nfs/dbraw/zinc/90/64/81/567906481.db2.gz CTQIFTUBWSRHFK-INIZCTEOSA-N 1 1 256.478 4.105 40 0 CIABMO CCCCCC[C@@H](C[NH2+]CCCC)NCCCC ZINC000043752075 567906482 /nfs/dbraw/zinc/90/64/82/567906482.db2.gz CTQIFTUBWSRHFK-INIZCTEOSA-N 1 1 256.478 4.105 40 0 CIABMO CCCCCC[C@H](CNCCCC)[NH2+]CCCC ZINC000043752077 567906673 /nfs/dbraw/zinc/90/66/73/567906673.db2.gz CTQIFTUBWSRHFK-MRXNPFEDSA-N 1 1 256.478 4.105 40 0 CIABMO CCCCCC[C@H](C[NH2+]CCCC)NCCCC ZINC000043752077 567906674 /nfs/dbraw/zinc/90/66/74/567906674.db2.gz CTQIFTUBWSRHFK-MRXNPFEDSA-N 1 1 256.478 4.105 40 0 CIABMO Cc1ccnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072211211 567917436 /nfs/dbraw/zinc/91/74/36/567917436.db2.gz WXJYBHIVMVBIPS-SFHVURJKSA-N 1 1 266.388 4.117 40 0 CIABMO Cc1ccncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211422 567917515 /nfs/dbraw/zinc/91/75/15/567917515.db2.gz NJYDLABZZSDAIH-GOSISDBHSA-N 1 1 266.388 4.117 40 0 CIABMO Clc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072211524 567917729 /nfs/dbraw/zinc/91/77/29/567917729.db2.gz YVZCYVDPXSTFTD-INIZCTEOSA-N 1 1 286.806 4.462 40 0 CIABMO Clc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211524 567917731 /nfs/dbraw/zinc/91/77/31/567917731.db2.gz YVZCYVDPXSTFTD-INIZCTEOSA-N 1 1 286.806 4.462 40 0 CIABMO CC(C)Oc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211949 567917881 /nfs/dbraw/zinc/91/78/81/567917881.db2.gz GPHLTJURSCHTEK-GOSISDBHSA-N 1 1 296.414 4.206 40 0 CIABMO C[N@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212154 567917998 /nfs/dbraw/zinc/91/79/98/567917998.db2.gz WVSVUTHFYFSZRD-INIZCTEOSA-N 1 1 268.360 4.031 40 0 CIABMO CC(C)N(c1ncccc1[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC000072213016 567918070 /nfs/dbraw/zinc/91/80/70/567918070.db2.gz OZDUASGTJAHWQZ-KRWDZBQOSA-N 1 1 289.467 4.250 40 0 CIABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213033 567918092 /nfs/dbraw/zinc/91/80/92/567918092.db2.gz FGAGBYAAZDWQCT-KRWDZBQOSA-N 1 1 289.467 4.252 40 0 CIABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212920 567918119 /nfs/dbraw/zinc/91/81/19/567918119.db2.gz MIJDXJBCHQVLDY-QGZVFWFLSA-N 1 1 289.467 4.255 40 0 CIABMO CC(C)N(c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1)C(C)C ZINC000072212955 567918215 /nfs/dbraw/zinc/91/82/15/567918215.db2.gz AMKHCYFEFFOASC-QGZVFWFLSA-N 1 1 289.467 4.250 40 0 CIABMO CCNc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213100 567918391 /nfs/dbraw/zinc/91/83/91/567918391.db2.gz KVCACPNRMFIJOG-SFHVURJKSA-N 1 1 295.430 4.241 40 0 CIABMO CC(C)CNc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213334 567918793 /nfs/dbraw/zinc/91/87/93/567918793.db2.gz QKEIIRWWIOOKPY-INIZCTEOSA-N 1 1 275.440 4.085 40 0 CIABMO CCCCNc1ncccc1[C@H]1CCC[N@H+]1CCCC ZINC000072213604 567919004 /nfs/dbraw/zinc/91/90/04/567919004.db2.gz LUNILNGTAWINIV-MRXNPFEDSA-N 1 1 275.440 4.231 40 0 CIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NCC(C)C ZINC000072213259 567919014 /nfs/dbraw/zinc/91/90/14/567919014.db2.gz YZJJVSGGTBAZQL-MRXNPFEDSA-N 1 1 275.440 4.087 40 0 CIABMO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072213543 567919034 /nfs/dbraw/zinc/91/90/34/567919034.db2.gz IOTUCYFNAHBCEW-WBVHZDCISA-N 1 1 289.467 4.475 40 0 CIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NCC(C)C ZINC000072213260 567919072 /nfs/dbraw/zinc/91/90/72/567919072.db2.gz YZJJVSGGTBAZQL-INIZCTEOSA-N 1 1 275.440 4.087 40 0 CIABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214200 567919503 /nfs/dbraw/zinc/91/95/03/567919503.db2.gz YXVALJNULFRFEU-SFHVURJKSA-N 1 1 295.430 4.396 40 0 CIABMO COc1cc(C)c([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072218042 567919890 /nfs/dbraw/zinc/91/98/90/567919890.db2.gz SCVJYUKNNFNYAM-SFHVURJKSA-N 1 1 296.414 4.126 40 0 CIABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214078 567919903 /nfs/dbraw/zinc/91/99/03/567919903.db2.gz JWBCRZVEIUTDIM-KRWDZBQOSA-N 1 1 281.403 4.371 40 0 CIABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216718 567920136 /nfs/dbraw/zinc/92/01/36/567920136.db2.gz AHVXIEUZGMEYNF-QGZVFWFLSA-N 1 1 287.451 4.009 40 0 CIABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216659 567920267 /nfs/dbraw/zinc/92/02/67/567920267.db2.gz FVBIINVIYBUHJR-KRWDZBQOSA-N 1 1 287.451 4.009 40 0 CIABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216641 567920305 /nfs/dbraw/zinc/92/03/05/567920305.db2.gz SJAVYSDQVZGFMU-QGZVFWFLSA-N 1 1 287.451 4.007 40 0 CIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1SCC ZINC000072217187 567921307 /nfs/dbraw/zinc/92/13/07/567921307.db2.gz NJZXMVRRLXXSBY-AWEZNQCLSA-N 1 1 264.438 4.131 40 0 CIABMO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072218406 567921836 /nfs/dbraw/zinc/92/18/36/567921836.db2.gz IIJBKSAZRZKKBM-KRWDZBQOSA-N 1 1 298.455 4.406 40 0 CIABMO CCn1c2ccccc2[nH+]c1Nc1ccccc1C ZINC000000513581 230366408 /nfs/dbraw/zinc/36/64/08/230366408.db2.gz GXPCQSHBOOXVHD-UHFFFAOYSA-N 1 1 251.333 4.108 40 0 CIABMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000072221871 256705895 /nfs/dbraw/zinc/70/58/95/256705895.db2.gz JJJPOTZLSNZTPB-SFHVURJKSA-N 1 1 297.398 4.041 40 0 CIABMO CCCCNc1ccc([C@H]2CCC[N@H+]2CCCC)cn1 ZINC000072213664 256712359 /nfs/dbraw/zinc/71/23/59/256712359.db2.gz CLAHZYFBEFSTIP-MRXNPFEDSA-N 1 1 275.440 4.231 40 0 CIABMO COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000004416764 169966977 /nfs/dbraw/zinc/96/69/77/169966977.db2.gz PONLDUBUNPVSJT-QFBILLFUSA-N 1 1 295.426 4.463 40 0 CIABMO ClC1=CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]2C1 ZINC000005648562 170124101 /nfs/dbraw/zinc/12/41/01/170124101.db2.gz BWKWEYCCHXBCAS-GYOIFBIXSA-N 1 1 298.817 4.230 40 0 CIABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446468 172203029 /nfs/dbraw/zinc/20/30/29/172203029.db2.gz QRMYJEWQDHXKPM-INIZCTEOSA-N 1 1 292.382 4.126 40 0 biogenic,in-vitro CIABMO C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357519 176376465 /nfs/dbraw/zinc/37/64/65/176376465.db2.gz PZOUCXRZSVBLJC-QGZVFWFLSA-N 1 1 286.806 4.093 40 0 CIABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168986 560084929 /nfs/dbraw/zinc/08/49/29/560084929.db2.gz FYFSGUSCZXAUPG-INIZCTEOSA-N 1 1 297.446 4.241 40 0 biogenic,in-vitro CIABMO Cc1ccc2nc([C@H]3CC[N@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049168986 560084931 /nfs/dbraw/zinc/08/49/31/560084931.db2.gz FYFSGUSCZXAUPG-INIZCTEOSA-N 1 1 297.446 4.241 40 0 biogenic,in-vitro CIABMO Cc1ccc2nc([C@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049168986 560084932 /nfs/dbraw/zinc/08/49/32/560084932.db2.gz FYFSGUSCZXAUPG-INIZCTEOSA-N 1 1 297.446 4.241 40 0 biogenic,in-vitro CIABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](C)CC)nc1 ZINC000108368640 567103064 /nfs/dbraw/zinc/10/30/64/567103064.db2.gz PCGQIUDEOIVOLH-GDBMZVCRSA-N 1 1 275.440 4.229 40 0 CIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368504 567103941 /nfs/dbraw/zinc/10/39/41/567103941.db2.gz KEFNVNQXCGLYGE-GDBMZVCRSA-N 1 1 275.440 4.229 40 0 CIABMO CN(C)c1cc(N(C)C)c2cc(-c3ccccc3)sc2[nH+]1 ZINC000001573335 567838416 /nfs/dbraw/zinc/83/84/16/567838416.db2.gz RQXYVYZHHPNRKI-UHFFFAOYSA-N 1 1 297.427 4.095 40 0 CIABMO c1csc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019346919 567877289 /nfs/dbraw/zinc/87/72/89/567877289.db2.gz WADJAZXPXOXIES-CQSZACIVSA-N 1 1 297.427 4.004 40 0 CIABMO c1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cs1 ZINC000019346929 567877651 /nfs/dbraw/zinc/87/76/51/567877651.db2.gz IEOHAPDABGITES-HNNXBMFYSA-N 1 1 297.427 4.004 40 0 CIABMO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCOC3)CC23CCCCC3)cc1 ZINC000036719491 567889794 /nfs/dbraw/zinc/88/97/94/567889794.db2.gz ZGWSSYPZWUXYCD-HKUYNNGSSA-N 1 1 299.458 4.073 40 0 CIABMO CCOc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211805 567917475 /nfs/dbraw/zinc/91/74/75/567917475.db2.gz CUDDBBQLJZJIOU-SFHVURJKSA-N 1 1 296.414 4.208 40 0 CIABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211923 567917660 /nfs/dbraw/zinc/91/76/60/567917660.db2.gz HFUQEFGUSGDLAN-MRXNPFEDSA-N 1 1 276.424 4.196 40 0 CIABMO Clc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211441 567917669 /nfs/dbraw/zinc/91/76/69/567917669.db2.gz LDRNRTMAYVABSO-HNNXBMFYSA-N 1 1 272.779 4.072 40 0 CIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1 ZINC000072211921 567917744 /nfs/dbraw/zinc/91/77/44/567917744.db2.gz GPXRREBGIKYADD-MRXNPFEDSA-N 1 1 276.424 4.052 40 0 CIABMO Cc1cccnc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211157 567917858 /nfs/dbraw/zinc/91/78/58/567917858.db2.gz UFBXYVJMTVIDNN-KRWDZBQOSA-N 1 1 266.388 4.117 40 0 CIABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212019 567918125 /nfs/dbraw/zinc/91/81/25/567918125.db2.gz XRRYPGFEBXTSIK-SFHVURJKSA-N 1 1 296.414 4.206 40 0 CIABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213017 567918147 /nfs/dbraw/zinc/91/81/47/567918147.db2.gz NNFOUIWOPFPSCK-QGZVFWFLSA-N 1 1 289.467 4.252 40 0 CIABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212973 567918207 /nfs/dbraw/zinc/91/82/07/567918207.db2.gz FXRCDDJNEHOWND-KRWDZBQOSA-N 1 1 289.467 4.252 40 0 CIABMO CC[N@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212190 567918485 /nfs/dbraw/zinc/91/84/85/567918485.db2.gz IHSCRMUSJRTYHN-MRXNPFEDSA-N 1 1 268.360 4.031 40 0 CIABMO CC(C)N(c1ncccc1[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC000072213015 567918652 /nfs/dbraw/zinc/91/86/52/567918652.db2.gz OZDUASGTJAHWQZ-QGZVFWFLSA-N 1 1 289.467 4.250 40 0 CIABMO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072213539 567918949 /nfs/dbraw/zinc/91/89/49/567918949.db2.gz VYSSJYMMUBITHO-ZBFHGGJFSA-N 1 1 275.440 4.227 40 0 CIABMO CC(C)CNc1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072213277 567918964 /nfs/dbraw/zinc/91/89/64/567918964.db2.gz DQESTAKVCUSYON-QGZVFWFLSA-N 1 1 289.467 4.333 40 0 CIABMO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072213544 567919099 /nfs/dbraw/zinc/91/90/99/567919099.db2.gz IOTUCYFNAHBCEW-RDJZCZTQSA-N 1 1 289.467 4.475 40 0 CIABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1 ZINC000072213513 567919238 /nfs/dbraw/zinc/91/92/38/567919238.db2.gz PCGQIUDEOIVOLH-GOEBONIOSA-N 1 1 275.440 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