smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1/C(=C/CC[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000066252448 203906187 /nfs/dbraw/zinc/90/61/87/203906187.db2.gz NLECWSNYHFBKLL-CVNFFVDQSA-N 0 1 365.473 4.314 1 0 FIAFMN CN(C)C(=O)c1ccc(-c2nc3ccccc3c(Nc3ccncc3)n2)cc1 ZINC000004258505 204129866 /nfs/dbraw/zinc/12/98/66/204129866.db2.gz KLZGRCRZGBAWII-UHFFFAOYSA-N 0 1 369.428 4.137 1 0 FIAFMN CCNC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000061906126 205290071 /nfs/dbraw/zinc/29/00/71/205290071.db2.gz QZFJAMOWNUNMME-LBPRGKRZSA-N 0 1 362.823 4.097 3 0 FIAFMN O=C([O-])[C@H]1CC[N@H+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000064447026 205298384 /nfs/dbraw/zinc/29/83/84/205298384.db2.gz FIMFEAXKPOZWDG-IMSXRSKXSA-N 0 1 361.485 4.030 1 0 FIAFMN O=C([O-])C1=CCC[N@H+]([C@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000064454249 205299027 /nfs/dbraw/zinc/29/90/27/205299027.db2.gz SKOALCKWENTDHG-DHLKQENFSA-N 0 1 373.496 4.341 1 0 FIAFMN O=C([C@H]1CC12CCC(C1CCCCC1)CC2)N1CCN(C2CCC2)CC1 ZINC000103243023 205990705 /nfs/dbraw/zinc/99/07/05/205990705.db2.gz BGVWWNSHROUKKN-YUVVGHDESA-N 0 1 358.570 4.460 1 0 FIAFMN O=c1c2c[nH]c3c(OCc4ccccc4)cccc3c-2nn1-c1ccccc1 ZINC000137821352 206133459 /nfs/dbraw/zinc/13/34/59/206133459.db2.gz KHEPLBRUZBXPOH-UHFFFAOYSA-N 0 1 367.408 4.446 1 0 FIAFMN O=c1c2c[nH]c3cccc(OCc4ccccc4)c3c-2nn1-c1ccccc1 ZINC000141796280 206137420 /nfs/dbraw/zinc/13/74/20/206137420.db2.gz RNYCHGPSWCHYCU-UHFFFAOYSA-N 0 1 367.408 4.446 1 0 FIAFMN CC(=O)CCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169332183 206252074 /nfs/dbraw/zinc/25/20/74/206252074.db2.gz RSJLDQKWMAAKHL-NHCQJFKSSA-N 0 1 373.500 4.024 1 0 FIAFMN O=C1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc32)CC1 ZINC000049802342 221028260 /nfs/dbraw/zinc/02/82/60/221028260.db2.gz WDSLKTFRZQUHDJ-DHIUTWEWSA-N 0 1 351.490 4.375 1 0 FIAFMN O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2nc3cc[nH]cc-3c2c1 ZINC000040877678 205084352 /nfs/dbraw/zinc/08/43/52/205084352.db2.gz DVZSBCJGKJDENR-UHFFFAOYSA-N 0 1 358.806 4.137 1 0 FIAFMN CCCc1cc(OC)c(C[C@@H]2c3cccc(O)c3CCN2C)cc1OC ZINC000045303247 205120062 /nfs/dbraw/zinc/12/00/62/205120062.db2.gz PVSGEYHXHISQCW-LJQANCHMSA-N 0 1 355.478 4.134 1 0 FIAFMN [NH3+][C@@H](Cc1ccc(F)cc1)c1csc([N-]c2nncc3ccccc32)n1 ZINC000061927471 205289978 /nfs/dbraw/zinc/28/99/78/205289978.db2.gz HLDPMZGZWYOLNN-INIZCTEOSA-N 0 1 365.437 4.212 3 0 FIAFMN C=C([NH2+]Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc(O)cc1 ZINC000064693658 205303621 /nfs/dbraw/zinc/30/36/21/205303621.db2.gz VCQHZOOAWCNLPJ-UHFFFAOYSA-N 0 1 374.611 4.033 1 0 FIAFMN O=C(N=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1)c1cccs1 ZINC000066129552 205364085 /nfs/dbraw/zinc/36/40/85/205364085.db2.gz DBYBNYBVCSYDQX-UHFFFAOYSA-N 0 1 367.861 4.474 1 0 FIAFMN CCC[C@@H]1CNC(=O)C12CCN(C1(c3ccccc3)CCCCC1)CC2 ZINC000014210502 204575067 /nfs/dbraw/zinc/57/50/67/204575067.db2.gz XNZWDRHJBZFXLY-HXUWFJFHSA-N 0 1 354.538 4.474 1 0 FIAFMN Cc1cc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2cc1Cl ZINC000040892896 205084530 /nfs/dbraw/zinc/08/45/30/205084530.db2.gz BKPOQXHTDNXEKD-UHFFFAOYSA-N 0 1 351.189 4.486 1 0 FIAFMN CN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040503897 205071491 /nfs/dbraw/zinc/07/14/91/205071491.db2.gz OVGVSLFMWGZBJP-UHFFFAOYSA-N 0 1 351.881 4.257 1 0 FIAFMN CN(C)CC[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000066075714 205362186 /nfs/dbraw/zinc/36/21/86/205362186.db2.gz FYIWAHGCHKFPFG-QFIPXVFZSA-N 0 1 356.318 4.393 1 0 FIAFMN COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1 ZINC000013154736 206302065 /nfs/dbraw/zinc/30/20/65/206302065.db2.gz LHMXSGJHEUTTLE-RBUKOAKNSA-N 0 1 366.436 4.232 1 0 FIAFMN COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000013154736 206302069 /nfs/dbraw/zinc/30/20/69/206302069.db2.gz LHMXSGJHEUTTLE-RBUKOAKNSA-N 0 1 366.436 4.232 1 0 FIAFMN CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2)cc1 ZINC000001488956 204009939 /nfs/dbraw/zinc/00/99/39/204009939.db2.gz FZGSSCBBLPSBGU-UHFFFAOYSA-N 0 1 366.364 4.166 1 0 FIAFMN CCN(CC)C(=S)Nc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 ZINC000001642494 204014639 /nfs/dbraw/zinc/01/46/39/204014639.db2.gz XSAMYPJPRUQNHY-UHFFFAOYSA-N 0 1 368.458 4.204 1 0 FIAFMN O=C([O-])[C@]12C[C@H]1C[N@H+]([C@@H]1CC[C@@]3(C1)Cc1ccccc1Cc1ccccc13)C2 ZINC000043202661 205100905 /nfs/dbraw/zinc/10/09/05/205100905.db2.gz GPWMNUXSJDSCAV-JQOLTRQRSA-N 0 1 373.496 4.030 1 0 FIAFMN CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(C)[C@H](C)C1 ZINC000053059666 205190388 /nfs/dbraw/zinc/19/03/88/205190388.db2.gz IMZYOZMMPLONHQ-GFCCVEGCSA-N 0 1 358.486 4.221 1 0 FIAFMN CN1CCC[C@](NC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)C1 ZINC000169335861 206252471 /nfs/dbraw/zinc/25/24/71/206252471.db2.gz GHYQVCVNUSSGJV-LJQANCHMSA-N 0 1 362.395 4.056 1 0 FIAFMN Nc1nc2ccc(Cl)cc2n1C[C@H](O)c1cccc(Cl)c1Cl ZINC000169351100 206252954 /nfs/dbraw/zinc/25/29/54/206252954.db2.gz WADBSUZEKGZBKU-ZDUSSCGKSA-N 0 1 356.640 4.312 1 0 FIAFMN CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2Br)C1 ZINC000036238007 205008693 /nfs/dbraw/zinc/00/86/93/205008693.db2.gz YFZYRKUTAITPML-CQSZACIVSA-N 0 1 366.686 4.428 1 0 FIAFMN CN1CCN(C2=Nc3ccccc3CC=C2c2cccc(Cl)c2)CC1 ZINC000040503885 205071973 /nfs/dbraw/zinc/07/19/73/205071973.db2.gz NNWTXRVFFYQQLI-UHFFFAOYSA-N 0 1 351.881 4.257 1 0 FIAFMN O=C(C=C(O)C(=O)Nc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000102962959 222316772 /nfs/dbraw/zinc/31/67/72/222316772.db2.gz CQMDAORAIQQFBN-UHFFFAOYSA-N 0 1 351.789 4.274 1 0 FIAFMN CSc1nc2c(c(=O)[nH]1)N=C(c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000005503366 204212233 /nfs/dbraw/zinc/21/22/33/204212233.db2.gz BVNFLIXAWRAJSD-INIZCTEOSA-N 0 1 362.458 4.170 1 0 FIAFMN Cc1cc(=O)n([C@H]2C[C@@H](C(F)(F)F)Nc3c2cccc3C(F)(F)F)[nH]1 ZINC000064274780 205297799 /nfs/dbraw/zinc/29/77/99/205297799.db2.gz SQRHLGYXTXOMII-QWRGUYRKSA-N 0 1 365.277 4.101 1 0 FIAFMN Nc1n[nH]c2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12 ZINC000169307012 206249033 /nfs/dbraw/zinc/24/90/33/206249033.db2.gz QWXYJSHOLFPGFK-UHFFFAOYSA-N 0 1 366.222 4.032 1 0 FIAFMN CCC(=O)OC1CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 ZINC000169324717 206250602 /nfs/dbraw/zinc/25/06/02/206250602.db2.gz BKVHBKBZINENCQ-UHFFFAOYSA-N 0 1 363.885 4.096 1 0 FIAFMN N=C(N)Nc1ccc(-c2cc(C(=O)Nc3cccc4ccccc43)no2)cc1 ZINC000169332294 206252250 /nfs/dbraw/zinc/25/22/50/206252250.db2.gz QBZXOLHHOWAYBV-UHFFFAOYSA-N 0 1 371.400 4.052 1 0 FIAFMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000169363089 206253398 /nfs/dbraw/zinc/25/33/98/206253398.db2.gz FIMFEAXKPOZWDG-LGVFNWMJSA-N 0 1 361.485 4.030 1 0 FIAFMN CCN(CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 ZINC000040899093 136120507 /nfs/dbraw/zinc/12/05/07/136120507.db2.gz MUHGROROZPTGFA-HXUWFJFHSA-N 0 1 366.505 4.420 1 0 FIAFMN CN1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc32)CC1 ZINC000064581865 136133253 /nfs/dbraw/zinc/13/32/53/136133253.db2.gz ICYBZDGFVODRMW-UHFFFAOYSA-N 0 1 372.394 4.067 1 0 FIAFMN Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000102956228 222315709 /nfs/dbraw/zinc/31/57/09/222315709.db2.gz MVTXBXOUQKHDCY-VQIMIIECSA-N 0 1 352.821 4.027 1 0 FIAFMN CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(Br)c2)C1 ZINC000036238010 205009291 /nfs/dbraw/zinc/00/92/91/205009291.db2.gz AJFLQDIECOEENG-OAHLLOKOSA-N 0 1 366.686 4.428 1 0 FIAFMN [O-]c1cc2c(cc1Cl)CC[NH2+][C@H]2Cc1ccccc1Br ZINC000045260640 205119260 /nfs/dbraw/zinc/11/92/60/205119260.db2.gz JHOVTRNHFCBNAQ-HNNXBMFYSA-N 0 1 352.659 4.238 1 0 FIAFMN O=C([O-])[C@]12C[C@H]1C[N@H+]([C@H]1CC[C@@]3(C1)Cc1ccccc1Cc1ccccc13)C2 ZINC000043202659 205101520 /nfs/dbraw/zinc/10/15/20/205101520.db2.gz GPWMNUXSJDSCAV-NBMBROAQSA-N 0 1 373.496 4.030 1 0 FIAFMN CN1CCN(C2=Nc3cc(Cl)ccc3CC=C2c2ccccc2)CC1 ZINC000049650399 205174338 /nfs/dbraw/zinc/17/43/38/205174338.db2.gz ZNPPFZADRXSODA-UHFFFAOYSA-N 0 1 351.881 4.257 1 0 FIAFMN O=C([O-])C1=CCC[N@H+]([C@@H]2CC[C@]3(C2)Cc2ccccc2Cc2ccccc23)C1 ZINC000064393138 205297431 /nfs/dbraw/zinc/29/74/31/205297431.db2.gz SKOALCKWENTDHG-RCZVLFRGSA-N 0 1 373.496 4.341 1 0 FIAFMN COc1cc2ccccc2c(Cc2c(=O)[nH][nH]c2-c2ccc(C)cc2)c1O ZINC000169311773 206249981 /nfs/dbraw/zinc/24/99/81/206249981.db2.gz KAEMGFMCDSXJIH-UHFFFAOYSA-N 0 1 360.413 4.137 1 0 FIAFMN CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OC3CCC3)CN(C)[C@H]1C2 ZINC000027518933 204863388 /nfs/dbraw/zinc/86/33/88/204863388.db2.gz BQSCTKYJXPGTLS-PBEJRMEISA-N 0 1 366.505 4.278 1 0 FIAFMN Cn1cnc2c1nc(-c1ccc3ccccc3c1)nc2Nc1ccncc1 ZINC000045194461 205117205 /nfs/dbraw/zinc/11/72/05/205117205.db2.gz QHHLQFITTIKWRK-UHFFFAOYSA-N 0 1 352.401 4.322 1 0 FIAFMN CCCNC(=O)[C@]1(C)CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000061895676 205288536 /nfs/dbraw/zinc/28/85/36/205288536.db2.gz JJBXTURMBLPEOL-MRXNPFEDSA-N 0 1 362.823 4.097 3 0 FIAFMN N[C@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)c1ccccc1 ZINC000061927806 205289869 /nfs/dbraw/zinc/28/98/69/205289869.db2.gz KIHLIQOMTIAFCL-AWEZNQCLSA-N 0 1 350.369 4.349 3 0 FIAFMN Cc1ccc(C(C=Cc2c[nH]c3ccccc23)=C2C(=O)NC(=O)NC2=O)cc1 ZINC000064564552 205300622 /nfs/dbraw/zinc/30/06/22/205300622.db2.gz OHRPQZDTEROXRV-ZHACJKMWSA-N 0 1 371.396 4.150 1 0 FIAFMN O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1[nH]nc2ccccc21 ZINC000101185169 209221463 /nfs/dbraw/zinc/22/14/63/209221463.db2.gz IHAPBZBYXJKWJA-LFUKPOHLSA-N 0 1 367.880 4.231 1 0 FIAFMN O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]c2ccccc21 ZINC000101185169 209221467 /nfs/dbraw/zinc/22/14/67/209221467.db2.gz IHAPBZBYXJKWJA-LFUKPOHLSA-N 0 1 367.880 4.231 1 0 FIAFMN COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000002490090 209395370 /nfs/dbraw/zinc/39/53/70/209395370.db2.gz XMEGHXYPMWYZPW-AIGRFHFRSA-N 0 1 374.484 4.492 1 0 FIAFMN Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C1CCCCC1=N2 ZINC000103157193 209247453 /nfs/dbraw/zinc/24/74/53/209247453.db2.gz JEFCDZJPJLDJED-OAHLLOKOSA-N 0 1 372.266 4.226 1 0 FIAFMN O=C(c1ccc(F)cc1)C1CCN(C[C@H]2Cc3sccc3C(=O)C2)CC1 ZINC000012356172 207366091 /nfs/dbraw/zinc/36/60/91/207366091.db2.gz KOJOODSKKCAJQB-CQSZACIVSA-N 0 1 371.477 4.227 1 0 FIAFMN COc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl ZINC000035013143 208117231 /nfs/dbraw/zinc/11/72/31/208117231.db2.gz DOUHSGTYZGUXDN-IBGZPJMESA-N 0 1 350.842 4.116 1 0 FIAFMN c1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1 ZINC000045303162 208330270 /nfs/dbraw/zinc/33/02/70/208330270.db2.gz JXINXMCJDIBMHE-UHFFFAOYSA-N 0 1 352.507 4.173 1 0 FIAFMN CN1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c32)CC1 ZINC000002701525 132383949 /nfs/dbraw/zinc/38/39/49/132383949.db2.gz OLPKXXCSCHAUBL-UHFFFAOYSA-N 0 1 370.456 4.309 1 0 FIAFMN O=C1C[C@@H]2c3ccccc3O[C@@H]3c4cccc(O)c4-c4c(O)cc(O)c1c4[C@@H]23 ZINC000014617069 291082691 /nfs/dbraw/zinc/08/26/91/291082691.db2.gz VYRXNKPPFHPOIN-UMAWSMADSA-N 0 1 372.376 4.371 1 0 biogenic,in-vitro FIAFMN CC(C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1 ZINC000040950523 208277216 /nfs/dbraw/zinc/27/72/16/208277216.db2.gz CBARWUOICURKFE-UHFFFAOYSA-N 0 1 372.469 4.183 1 0 FIAFMN CC[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc(Cl)nc2ccc(OC)cc21 ZINC000045210142 208328399 /nfs/dbraw/zinc/32/83/99/208328399.db2.gz XJIBDOHIONJNPE-OCCRYCDCSA-N 0 1 360.885 4.051 1 0 FIAFMN CCOC(=O)c1ccc(-c2cnc(N)c(-c3nc4cccc(C)c4[nH]3)c2)cc1 ZINC000045324783 208331080 /nfs/dbraw/zinc/33/10/80/208331080.db2.gz HMLLMUGFTSGNKW-UHFFFAOYSA-N 0 1 372.428 4.359 1 0 FIAFMN CN1CCC[C@@](NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1 ZINC000140007358 209379019 /nfs/dbraw/zinc/37/90/19/209379019.db2.gz OFBDCHBDDZEHBY-IBGZPJMESA-N 0 1 363.288 4.344 1 0 FIAFMN Clc1ccc2nc(-c3cc4cc(Cl)ccc4n4nnnc34)[nH]c2c1 ZINC000103221798 209249417 /nfs/dbraw/zinc/24/94/17/209249417.db2.gz RKAFRQGLWMENPP-UHFFFAOYSA-N 0 1 355.188 4.128 1 0 FIAFMN C=C1N=C(C)C(C(=O)OC)[C@@H](c2c(Cl)cccc2Cl)C1C(=O)OC ZINC000100025673 209207577 /nfs/dbraw/zinc/20/75/77/209207577.db2.gz CLSOASHIJIDNLA-JORMNFRLSA-N 0 1 370.232 4.415 1 0 FIAFMN O=CNCc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008536480 207236743 /nfs/dbraw/zinc/23/67/43/207236743.db2.gz PKCDURKUHJWGQJ-UHFFFAOYSA-N 0 1 372.403 4.191 1 0 FIAFMN CCN1CCN[C@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000040810574 208270362 /nfs/dbraw/zinc/27/03/62/208270362.db2.gz LJDIRBHJSCLWRK-MSOLQXFVSA-N 0 1 367.276 4.112 1 0 FIAFMN CCCc1cc(OC)c(C[C@H]2c3cc(O)c(C)cc3CCN2C)cc1OC ZINC000045335141 208332634 /nfs/dbraw/zinc/33/26/34/208332634.db2.gz GDOQYCOTOFAPGF-FQEVSTJZSA-N 0 1 369.505 4.442 1 0 FIAFMN CCCCCc1c(=O)c(OC)c(O)c2c(O)cc(-c3ccc(O)cc3)oc1-2 ZINC000085633037 291080589 /nfs/dbraw/zinc/08/05/89/291080589.db2.gz BXTVIRFYBZTZHC-UHFFFAOYSA-N 0 1 370.401 4.318 1 0 biogenic,in-vitro FIAFMN Cc1cc2c(cc1C)N=C(N1CCN(C)CC1)CC(c1ccc(F)cc1)=N2 ZINC000139032211 209378480 /nfs/dbraw/zinc/37/84/80/209378480.db2.gz MIDXEUQKOLZPKJ-UHFFFAOYSA-N 0 1 364.468 4.244 1 0 FIAFMN O=S(=O)(Nc1cccc2ncccc21)c1ccc2nc3cc[nH]cc-3c2c1 ZINC000102328226 209234696 /nfs/dbraw/zinc/23/46/96/209234696.db2.gz UHIJOOAMRRVCOP-UHFFFAOYSA-N 0 1 374.425 4.065 1 0 FIAFMN C=C1N=C(C)C(C(=O)OC)[C@H](c2ccc(Cl)cc2Cl)C1C(=O)OC ZINC000096901785 209160509 /nfs/dbraw/zinc/16/05/09/209160509.db2.gz MXBUGAZMIAKHDO-NWCRWOLESA-N 0 1 370.232 4.415 1 0 FIAFMN Brc1ccccc1Cn1c2ccccc2nc1CN1CCCC1 ZINC000096285114 209150520 /nfs/dbraw/zinc/15/05/20/209150520.db2.gz QNJQBPMKKGIQKU-UHFFFAOYSA-N 0 1 370.294 4.443 1 0 FIAFMN Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2cccc(C)c2)CC1 ZINC000013799244 207487263 /nfs/dbraw/zinc/48/72/63/207487263.db2.gz RUCVLTFMJJZXOA-UHFFFAOYSA-N 0 1 361.489 4.297 1 0 FIAFMN O=C([O-])C1=CC[N@H+]([C@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)CC1 ZINC000043202667 208302806 /nfs/dbraw/zinc/30/28/06/208302806.db2.gz VFKIKYZNUCGJGD-DHLKQENFSA-N 0 1 373.496 4.341 1 0 FIAFMN CC(C)N(C(=O)c1ccc(Cl)cc1)c1cccc(N2CCN(C)CC2)c1 ZINC000058582627 534955855 /nfs/dbraw/zinc/95/58/55/534955855.db2.gz LZYXVOFZAPATAZ-UHFFFAOYSA-N 0 1 371.912 4.147 1 0 FIAFMN CN1CCN(c2ncc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)CC1 ZINC000103297206 536425586 /nfs/dbraw/zinc/42/55/86/536425586.db2.gz CKWQINNXSPWUFQ-UHFFFAOYSA-N 0 1 369.472 4.044 1 0 FIAFMN 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